0AA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.676 79.166 -133.49 0.4480
5 H1 H2 E 4 3 2 1.091 24.223 90.04 0.0000
6 C2 Cg 3 4 3 2 1.547 97.401 -30.99 0.2680
7 H2 H1 E 6 4 3 1.092 109.940 -51.47 0.0000
8 C3 Cg 3 6 4 3 1.543 115.075 -176.20 0.3350
9 H3 H1 E 8 6 4 1.091 110.217 -167.01 0.0000
10 C4 Cg 3 8 6 4 1.543 111.532 -44.66 0.2450
11 H4 H1 E 10 8 6 1.091 108.482 -68.58 0.0000
12 C5 Cg 3 10 8 6 1.532 112.944 51.47 0.3790
13 H5E H1 E 12 10 8 1.090 110.447 -175.26 0.0000
14 H5A H1 E 12 10 8 1.091 110.923 64.60 0.0000
15 O5 Os E 12 10 8 1.479 108.551 -55.64 -0.5640
16 O4 Oh S 10 8 6 1.437 110.197 173.67 -0.7480
17 H4O Ho E 16 10 8 0.960 109.412 -61.02 0.4340
18 O3 Oh S 8 6 4 1.441 106.949 75.66 -0.7720
19 H3O Ho E 18 8 6 0.960 109.473 59.41 0.4610
20 O2 Oh S 6 4 3 1.437 106.880 64.80 -0.7350
21 H2O Ho E 20 6 4 0.960 109.480 -177.98 0.4430
LOOP
O5 C1
DONE
0AB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.397 98.712 -136.08 0.3790
5 H1 H2 E 4 3 2 1.091 66.137 -93.73 0.0000
6 O5 Os S 4 3 2 1.466 132.905 172.33 -0.5290
7 C5 Cg 3 6 4 3 1.485 114.414 139.79 0.3560
8 H5E H1 E 7 6 4 1.090 108.916 176.99 0.0000
9 H5A H1 E 7 6 4 1.091 109.188 -65.32 0.0000
10 C4 Cg 3 7 6 4 1.546 110.184 56.30 0.2240
11 H4 H1 E 10 7 6 1.091 108.191 65.24 0.0000
12 O4 Oh S 10 7 6 1.458 110.447 -177.16 -0.7300
13 H4O Ho E 12 10 7 0.964 110.010 -151.69 0.4400
14 C3 Cg 3 10 7 6 1.551 111.087 -54.27 0.2970
15 H3 H1 E 14 10 7 1.091 109.244 175.99 0.0000
16 O3 Oh S 14 10 7 1.454 109.593 -65.87 -0.6680
17 H3O Ho E 16 14 10 0.966 107.607 -47.31 0.4070
18 C2 Cg B 14 10 7 1.543 111.469 54.81 0.3000
19 H2 H1 E 18 14 10 1.091 109.979 -173.48 0.0000
20 O2 Oh S 18 14 10 1.460 108.027 68.57 -0.7000
21 H2O Ho E 20 18 14 0.965 107.206 -167.33 0.4180
LOOP
C2 C1
DONE
0AD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.564 98.659 -135.87 0.3680
5 H1 H2 E 4 3 2 1.090 144.009 -170.21 0.0000
6 C2 Cg 3 4 3 2 1.632 104.217 14.88 0.2780
7 H2 H1 E 6 4 3 1.092 109.712 54.58 0.0000
8 C3 Cg 3 6 4 3 1.638 107.428 -64.48 0.3700
9 H3 H1 E 8 6 4 1.091 109.719 -115.23 0.0000
10 C4 Cg 3 8 6 4 1.617 107.830 4.89 0.1470
11 H4 H1 E 10 8 6 1.091 109.995 109.41 0.0000
12 C5 Cg 3 10 8 6 1.531 113.111 -128.33 0.3380
13 H52 H1 E 12 10 8 1.090 110.286 -56.49 0.0000
14 H51 H1 E 12 10 8 1.090 110.161 -176.14 0.0000
15 O5 Oh S 12 10 8 1.438 109.271 63.95 -0.6960
16 H5O Ho E 15 12 10 0.963 107.879 70.16 0.3990
17 O4 Os E 10 8 6 1.585 105.385 -6.88 -0.4530
18 O3 Oh S 8 6 4 1.445 110.901 124.99 -0.7030
19 H3O Ho E 18 8 6 0.962 109.189 61.81 0.4040
20 O2 Oh S 6 4 3 1.459 111.670 174.46 -0.6880
21 H2O Ho E 20 6 4 0.962 111.196 52.33 0.4300
LOOP
O4 C1
DONE
0AU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.667 98.632 -136.10 0.4770
5 H1 H2 E 4 3 2 1.090 95.669 -91.76 0.0000
6 O4 Os S 4 3 2 1.559 125.393 147.34 -0.5320
7 C4 Cg 3 6 4 3 1.592 113.400 -118.27 0.3270
8 H4 H1 E 7 6 4 1.091 108.372 -116.19 0.0000
9 C5 Cg 3 7 6 4 1.536 109.955 123.86 0.2270
10 H52 H1 E 9 7 6 1.090 110.003 -58.66 0.0000
11 H51 H1 E 9 7 6 1.090 110.273 -178.18 0.0000
12 O5 Oh S 9 7 6 1.440 109.976 61.40 -0.6500
13 H5O Ho E 12 9 7 0.963 109.100 -48.75 0.3970
14 C3 Cg 3 7 6 4 1.623 104.988 1.35 0.2150
15 H3 H1 E 14 7 6 1.091 109.455 110.64 0.0000
16 O3 Oh S 14 7 6 1.449 110.805 -129.50 -0.7280
17 H3O Ho E 16 14 7 0.965 109.557 -174.52 0.4370
18 C2 Cg B 14 7 6 1.636 107.636 -8.35 0.3280
19 H2 H1 E 18 14 7 1.091 108.941 -103.94 0.0000
20 O2 Oh S 18 14 7 1.456 110.454 137.54 -0.7210
21 H2O Ho E 20 18 14 0.967 108.079 -107.31 0.4170
LOOP
C2 C1
DONE
0BA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.626 99.556 -130.20 0.1300
5 C1 Cg 3 4 3 2 1.560 35.236 112.47 0.4280
6 H12 H1 E 5 4 3 1.091 110.098 -13.70 0.0000
7 H11 H1 E 5 4 3 1.090 109.813 104.72 0.0000
8 O1 Oh S 5 4 3 1.443 112.003 -134.19 -0.6780
9 H1O Ho E 8 5 4 0.961 107.457 73.22 0.3990
10 C3 Cg 3 4 3 2 1.559 106.735 7.30 0.3720
11 H3 H1 E 10 4 3 1.092 108.445 98.55 0.0000
12 C4 Cg 3 10 4 3 1.548 110.877 -143.81 0.3350
13 H4 H1 E 12 10 4 1.092 109.910 62.48 0.0000
14 C5 Cg 3 12 10 4 1.550 109.394 -58.65 0.2240
15 H5 H1 E 14 12 10 1.091 109.416 -64.57 0.0000
16 C6 Cg 3 14 12 10 1.544 111.673 55.39 0.3410
17 H6E H1 E 16 14 12 1.090 110.000 -171.23 0.0000
18 H6A H1 E 16 14 12 1.091 110.069 70.07 0.0000
19 O6 Os E 16 14 12 1.491 111.103 -50.56 -0.5070
20 O5 Oh S 14 12 10 1.455 110.457 176.19 -0.6900
21 H5O Ho E 20 14 12 0.963 109.307 77.89 0.4290
22 O4 Oh S 12 10 4 1.461 109.578 -178.37 -0.7240
23 H4O Ho E 22 12 10 0.964 108.580 -150.69 0.4210
24 O3 Oh S 10 4 3 1.456 111.120 -18.72 -0.7160
25 H3O Ho E 24 10 4 0.964 107.033 -168.33 0.4300
LOOP
O6 C2
DONE
0BB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.404 98.269 -136.13 0.2270
5 O6 Os S 4 3 2 1.482 134.628 169.57 -0.4770
6 C6 Cg 3 5 4 3 1.485 116.916 144.77 0.3110
7 H6E H1 E 6 5 4 1.090 109.104 176.90 0.0000
8 H6A H1 E 6 5 4 1.091 109.162 -65.19 0.0000
9 C5 Cg 3 6 5 4 1.543 109.751 56.11 0.3400
10 H5 H1 E 9 6 5 1.091 108.952 69.35 0.0000
11 O5 Oh S 9 6 5 1.444 108.793 -172.08 -0.7200
12 H5O Ho E 11 9 6 0.966 106.322 170.63 0.4290
13 C4 Cg 3 9 6 5 1.545 112.662 -52.43 0.1080
14 H4 H1 E 13 9 6 1.092 109.257 -67.90 0.0000
15 O4 Oh S 13 9 6 1.460 109.081 173.87 -0.6750
16 H4O Ho E 15 13 9 0.968 108.634 -176.45 0.4350
17 C3 Cg B 13 9 6 1.550 110.670 52.18 0.4640
18 H3 H1 E 17 13 9 1.092 108.385 68.01 0.0000
19 O3 Oh S 17 13 9 1.453 108.659 -174.74 -0.7300
20 H3O Ho E 19 17 13 0.965 106.403 -179.38 0.4320
21 C1 Cg 3 4 3 2 1.563 64.474 -94.95 0.2810
22 H12 H1 E 21 4 3 1.091 110.325 40.86 0.0000
23 H11 H1 E 21 4 3 1.090 110.121 159.57 0.0000
24 O1 Oh S 21 4 3 1.444 111.743 -80.01 -0.6260
25 H1O Ho E 24 21 4 0.960 109.452 179.75 0.3950
LOOP
C3 C2
DONE
0BC INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.408 98.558 -136.37 0.3130
5 H1 H2 E 4 3 2 1.091 69.916 -94.06 0.0000
6 C2 Cg 3 4 3 2 1.560 113.358 10.35 0.3540
7 H2 H1 E 6 4 3 1.092 107.992 101.47 0.0000
8 C3 Cg 3 6 4 3 1.553 109.221 -141.10 0.1960
9 H3 H1 E 8 6 4 1.092 107.757 63.80 0.0000
10 C4 Cg 3 8 6 4 1.557 111.958 -54.52 0.5790
11 H4 H1 E 10 8 6 1.092 107.671 -66.49 0.0000
12 C5 Cg 3 10 8 6 1.553 111.334 52.25 0.1410
13 H5 H1 E 12 10 8 1.092 109.080 68.78 0.0000
14 C6 Cg 3 12 10 8 1.529 113.959 -169.86 0.0540
15 H63 H1 E 14 12 10 1.090 110.350 177.65 0.0000
16 H62 H1 E 14 12 10 1.091 110.671 57.53 0.0000
17 H61 H1 E 14 12 10 1.090 110.595 -62.81 0.0000
18 O5 Os E 12 10 8 1.484 110.731 -49.92 -0.4890
19 N4 Ng B 10 8 6 1.482 109.381 173.96 -0.8840
20 H4N H E 19 10 8 1.005 118.374 -46.73 0.3270
21 C4N C B 19 10 8 1.334 122.717 137.86 0.7200
22 C4M Cg 3 21 19 10 1.542 116.539 179.84 0.0380
23 H43 Hc E 22 21 19 1.091 109.727 63.50 0.0000
24 H42 Hc E 22 21 19 1.091 109.889 -56.66 0.0000
25 H41 Hc E 22 21 19 1.091 110.231 -176.59 0.0000
26 O4N O E 21 19 10 1.221 121.166 -0.20 -0.6220
27 O3 Oh S 8 6 4 1.467 110.961 -179.24 -0.7170
28 H3O Ho E 27 8 6 0.964 111.363 165.80 0.4520
29 N2 Ng B 6 4 3 1.482 110.993 -18.32 -0.6460
30 H2N H E 29 6 4 1.005 117.749 -47.60 0.2870
31 C2N C B 29 6 4 1.339 123.653 132.27 0.5290
32 C2M Cg 3 31 29 6 1.543 115.754 177.65 0.0780
33 H23 Hc E 32 31 29 1.091 109.662 69.03 0.0000
34 H22 Hc E 32 31 29 1.091 110.049 -51.17 0.0000
35 H21 Hc E 32 31 29 1.091 110.260 -171.03 0.0000
36 O2N O E 31 29 6 1.228 122.945 -2.35 -0.5160
LOOP
O5 C1
DONE
0BD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410
5 C1 Cg 3 4 3 2 1.546 4.633 -120.67 0.3130
6 H12 H1 E 5 4 3 1.090 110.325 114.28 0.0000
7 H11 H1 E 5 4 3 1.091 109.856 -126.60 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -6.24 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 -163.85 0.4140
10 C3 Cg 3 4 3 2 1.641 111.508 16.65 0.4400
11 H3 H1 E 10 4 3 1.090 108.442 20.90 0.0000
12 C4 Cg 3 10 4 3 1.636 106.644 136.55 0.2250
13 H4 H1 E 12 10 4 1.091 108.604 98.33 0.0000
14 C5 Cg 3 12 10 4 1.626 107.413 -17.56 0.2710
15 H5 H1 E 14 12 10 1.091 108.621 126.81 0.0000
16 C6 Cg 3 14 12 10 1.543 115.360 -109.99 0.2810
17 H62 H1 E 16 14 12 1.091 109.980 67.38 0.0000
18 H61 H1 E 16 14 12 1.090 110.249 -51.87 0.0000
19 O6 Oh S 16 14 12 1.443 110.886 -171.63 -0.6790
20 H6O Ho E 19 16 14 0.959 110.164 69.40 0.4110
21 O5 Os E 14 12 10 1.587 104.732 10.45 -0.4520
22 O4 Oh S 12 10 4 1.457 112.032 -142.43 -0.7100
23 H4O Ho E 22 12 10 0.965 109.577 -74.18 0.4350
24 O3 Oh S 10 4 3 1.453 115.892 -99.73 -0.7320
25 H3O Ho E 24 10 4 0.959 109.052 121.29 0.4040
LOOP
O5 C2
DONE
0BU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470
5 O5 Os S 4 3 2 1.568 142.358 -178.86 -0.3850
6 C5 Cg 3 5 4 3 1.582 113.720 173.86 0.2100
7 H5 H1 E 6 5 4 1.091 108.799 -121.64 0.0000
8 C6 Cg 3 6 5 4 1.541 109.962 118.91 0.3320
9 H62 H1 E 8 6 5 1.090 110.302 -58.44 0.0000
10 H61 H1 E 8 6 5 1.090 109.861 -177.80 0.0000
11 O6 Oh S 8 6 5 1.442 110.695 62.46 -0.7010
12 H6O Ho E 11 8 6 0.959 110.169 52.94 0.4090
13 C4 Cg 3 6 5 4 1.624 104.801 -5.21 0.2830
14 H4 H1 E 13 6 5 1.091 107.561 -105.82 0.0000
15 O4 Oh S 13 6 5 1.453 112.691 135.08 -0.7550
16 H4O Ho E 15 13 6 0.964 109.402 171.47 0.4340
17 C3 Cg B 13 6 5 1.637 107.577 11.31 0.3820
18 H3 H1 E 17 13 6 1.091 108.163 103.95 0.0000
19 O3 Oh S 17 13 6 1.455 110.878 -138.10 -0.7420
20 H3O Ho E 19 17 13 0.963 108.479 -160.63 0.4260
21 C1 Cg 3 4 3 2 1.553 52.999 -106.31 0.2990
22 H12 H1 E 21 4 3 1.091 110.361 37.48 0.0000
23 H11 H1 E 21 4 3 1.091 109.538 156.30 0.0000
24 O1 Oh S 21 4 3 1.445 111.462 -83.60 -0.6270
25 H1O Ho E 24 21 4 0.960 109.374 -172.60 0.3820
LOOP
C3 C2
DONE
0CA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.591 99.421 -130.21 0.3450
5 C1 Cg 3 4 3 2 1.567 41.168 109.23 0.3860
6 H12 H1 E 5 4 3 1.091 109.446 -31.55 0.0000
7 H11 H1 E 5 4 3 1.091 110.132 86.62 0.0000
8 O1 Oh S 5 4 3 1.446 112.801 -152.28 -0.6960
9 H1O Ho E 8 5 4 0.968 106.626 39.29 0.4020
10 C3 Cg 3 4 3 2 1.575 105.291 0.80 0.2470
11 H3 H1 E 10 4 3 1.092 108.668 -30.87 0.0000
12 C4 Cg 3 10 4 3 1.551 113.411 -152.18 0.3670
13 H4 H1 E 12 10 4 1.091 108.797 -167.01 0.0000
14 C5 Cg 3 12 10 4 1.544 112.343 -46.95 0.1950
15 H5 H1 E 14 12 10 1.091 108.612 -61.32 0.0000
16 C6 Cg 3 14 12 10 1.538 109.577 57.29 0.4370
17 H6E H1 E 16 14 12 1.090 109.936 -178.47 0.0000
18 H6A H1 E 16 14 12 1.091 110.981 62.19 0.0000
19 O6 Os E 16 14 12 1.483 109.646 -58.96 -0.6200
20 O5 Oh S 14 12 10 1.462 110.821 -179.28 -0.7090
21 H5O Ho E 20 14 12 0.964 110.741 154.55 0.4150
22 O4 Oh S 12 10 4 1.450 110.082 76.05 -0.7200
23 H4O Ho E 22 12 10 0.965 107.347 -174.93 0.3940
24 O3 Oh S 10 4 3 1.466 111.567 86.40 -0.6550
25 H3O Ho E 24 10 4 0.965 109.737 -159.40 0.4060
LOOP
O6 C2
DONE
0CB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.453 98.094 -136.06 0.2440
5 O6 Os S 4 3 2 1.480 134.325 169.15 -0.4600
6 C6 Cg 3 5 4 3 1.482 117.080 144.78 0.3650
7 H6E H1 E 6 5 4 1.090 108.978 178.11 0.0000
8 H6A H1 E 6 5 4 1.091 109.532 -63.87 0.0000
9 C5 Cg 3 6 5 4 1.539 109.460 57.67 0.1950
10 H5 H1 E 9 6 5 1.091 107.780 64.61 0.0000
11 O5 Oh S 9 6 5 1.457 110.279 -178.31 -0.6840
12 H5O Ho E 11 9 6 0.965 109.084 80.29 0.4150
13 C4 Cg 3 9 6 5 1.549 112.024 -54.46 0.3440
14 H4 H1 E 13 9 6 1.091 108.628 172.57 0.0000
15 O4 Oh S 13 9 6 1.459 109.986 -70.35 -0.6980
16 H4O Ho E 15 13 9 0.964 108.929 -144.70 0.4170
17 C3 Cg B 13 9 6 1.551 111.995 51.70 0.3170
18 H3 H1 E 17 13 9 1.091 109.680 -170.27 0.0000
19 O3 Oh S 17 13 9 1.453 106.815 73.47 -0.6970
20 H3O Ho E 19 17 13 0.968 105.774 -153.52 0.4070
21 C1 Cg 3 4 3 2 1.563 63.216 -96.90 0.2970
22 H12 H1 E 21 4 3 1.091 110.065 46.56 0.0000
23 H11 H1 E 21 4 3 1.088 110.800 165.58 0.0000
24 O1 Oh S 21 4 3 1.447 111.733 -74.36 -0.6690
25 H1O Ho E 24 21 4 0.961 109.456 -178.60 0.4010
LOOP
C3 C2
DONE
0CD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840
5 C1 Cg 3 4 3 2 1.556 9.626 -136.04 0.3700
6 H12 H1 E 5 4 3 1.091 109.651 88.60 0.0000
7 H11 H1 E 5 4 3 1.091 110.210 -152.55 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -31.57 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 49.38 0.4140
10 C3 Cg 3 4 3 2 1.638 108.658 19.86 0.2820
11 H3 H1 E 10 4 3 1.091 111.006 -104.35 0.0000
12 C4 Cg 3 10 4 3 1.638 106.495 134.41 0.3320
13 H4 H1 E 12 10 4 1.091 111.116 -136.07 0.0000
14 C5 Cg 3 12 10 4 1.621 107.987 -13.87 0.3090
15 H5 H1 E 14 12 10 1.092 110.544 126.66 0.0000
16 C6 Cg 3 14 12 10 1.538 111.506 -110.78 0.2650
17 H62 H1 E 16 14 12 1.091 109.952 69.16 0.0000
18 H61 H1 E 16 14 12 1.090 109.956 -49.70 0.0000
19 O6 Oh S 16 14 12 1.442 111.246 -169.72 -0.6640
20 H6O Ho E 19 16 14 0.960 110.855 67.48 0.4120
21 O5 Os E 14 12 10 1.584 104.926 8.85 -0.4980
22 O4 Oh S 12 10 4 1.453 108.919 105.00 -0.7840
23 H4O Ho E 22 12 10 0.965 110.375 -49.86 0.4440
24 O3 Oh S 10 4 3 1.460 111.917 16.34 -0.7160
25 H3O Ho E 24 10 4 0.965 109.355 -165.56 0.4320
LOOP
O5 C2
DONE
0CU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390
5 O5 Os S 4 3 2 1.575 147.962 122.92 -0.4490
6 C5 Cg 3 5 4 3 1.577 112.749 -165.42 0.3100
7 H5 H1 E 6 5 4 1.092 109.362 -121.32 0.0000
8 C6 Cg 3 6 5 4 1.529 108.415 119.08 0.2720
9 H62 H1 E 8 6 5 1.091 110.618 -56.09 0.0000
10 H61 H1 E 8 6 5 1.090 110.315 -176.31 0.0000
11 O6 Oh S 8 6 5 1.433 108.667 64.08 -0.6520
12 H6O Ho E 11 8 6 0.960 109.494 59.32 0.3970
13 C4 Cg 3 6 5 4 1.622 105.503 -1.90 0.2930
14 H4 H1 E 13 6 5 1.092 112.170 133.69 0.0000
15 O4 Oh S 13 6 5 1.434 107.738 -106.47 -0.7630
16 H4O Ho E 15 13 6 0.960 109.480 -62.64 0.4310
17 C3 Cg B 13 6 5 1.624 107.882 8.77 0.3330
18 H3 H1 E 17 13 6 1.091 112.343 -135.61 0.0000
19 O3 Oh S 17 13 6 1.439 105.085 106.18 -0.6910
20 H3O Ho E 19 17 13 0.960 109.418 -177.11 0.4100
21 C1 Cg 3 4 3 2 1.537 69.500 -144.67 0.2870
22 H12 H1 E 21 4 3 1.091 110.638 29.87 0.0000
23 H11 H1 E 21 4 3 1.091 109.952 149.16 0.0000
24 O1 Oh S 21 4 3 1.437 110.256 -91.14 -0.6240
25 H1O Ho E 24 21 4 0.960 109.490 -179.97 0.4010
LOOP
C3 C2
DONE
0DA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.544 98.481 -135.71 0.3980
5 H1 H2 E 4 3 2 1.090 143.293 157.80 0.0000
6 C2 Cg 3 4 3 2 1.559 100.528 13.66 0.2460
7 H2 H1 E 6 4 3 1.091 109.379 88.56 0.0000
8 C3 Cg 3 6 4 3 1.549 110.494 -31.75 0.1840
9 H3 H1 E 8 6 4 1.091 107.825 63.24 0.0000
10 C4 Cg 3 8 6 4 1.545 111.008 -55.58 0.3510
11 H4 H1 E 10 8 6 1.091 110.279 -64.03 0.0000
12 C5 Cg 3 10 8 6 1.543 110.247 57.45 0.2750
13 H5E H1 E 12 10 8 1.090 110.034 -173.80 0.0000
14 H5A H1 E 12 10 8 1.092 109.852 67.71 0.0000
15 O5 Os E 12 10 8 1.490 111.684 -52.70 -0.4870
16 O4 Oh S 10 8 6 1.447 108.954 176.38 -0.7110
17 H4O Ho E 16 10 8 0.966 106.152 48.96 0.4220
18 O3 Oh S 8 6 4 1.459 111.377 -179.63 -0.6550
19 H3O Ho E 18 8 6 0.962 110.146 -45.63 0.4170
20 O2 Oh S 6 4 3 1.458 109.515 -153.38 -0.6780
21 H2O Ho E 20 6 4 0.962 110.757 -69.34 0.4320
LOOP
O5 C1
DONE
0DB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.719 100.298 -130.46 0.4480
5 H1 H2 E 4 3 2 1.091 138.149 179.98 0.0000
6 O5 Os S 4 3 2 1.480 43.169 119.64 -0.5190
7 C5 Cg 3 6 4 3 1.480 115.118 -158.52 0.2750
8 H5E H1 E 7 6 4 1.090 109.162 177.52 0.0000
9 H5A H1 E 7 6 4 1.092 108.688 -64.77 0.0000
10 C4 Cg 3 7 6 4 1.539 110.071 56.42 0.3350
11 H4 H1 E 10 7 6 1.091 109.494 72.24 0.0000
12 O4 Oh S 10 7 6 1.436 107.087 -169.38 -0.7090
13 H4O Ho E 12 10 7 0.960 109.449 -179.03 0.4360
14 C3 Cg 3 10 7 6 1.543 111.797 -50.34 0.2010
15 H3 H1 E 14 10 7 1.092 109.081 -68.08 0.0000
16 O3 Oh S 14 10 7 1.440 109.833 173.78 -0.7010
17 H3O Ho E 16 14 10 0.960 109.476 58.38 0.4320
18 C2 Cg B 14 10 7 1.543 112.432 51.79 0.2260
19 H2 H1 E 18 14 10 1.091 110.138 -175.60 0.0000
20 O2 Oh S 18 14 10 1.446 109.378 64.40 -0.6450
21 H2O Ho E 20 18 14 0.960 109.425 -178.57 0.4150
LOOP
C2 C1
DONE
0DD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.439 98.549 -135.93 0.3800
5 H1 H1 E 4 3 2 1.090 138.129 177.38 0.0000
6 C2 Cg 3 4 3 2 1.631 107.390 17.90 0.2290
7 H2 H1 E 6 4 3 1.091 108.957 30.09 0.0000
8 C3 Cg 3 6 4 3 1.641 106.976 -85.59 0.2980
9 H3 H1 E 8 6 4 1.090 111.055 137.68 0.0000
10 C4 Cg 3 8 6 4 1.624 106.916 15.94 0.1890
11 H4 H1 E 10 8 6 1.091 107.278 99.07 0.0000
12 C5 Cg 3 10 8 6 1.537 117.355 -138.29 0.3050
13 H52 H1 E 12 10 8 1.090 110.349 -57.47 0.0000
14 H51 H1 E 12 10 8 1.090 110.600 62.82 0.0000
15 O5 Oh S 12 10 8 1.438 108.908 -177.29 -0.6970
16 H5O Ho E 15 12 10 0.962 108.141 -56.44 0.4140
17 O4 Os E 10 8 6 1.588 104.960 -15.19 -0.4230
18 O3 Oh S 8 6 4 1.446 108.928 -102.08 -0.6780
19 H3O Ho E 18 8 6 0.969 106.468 -24.27 0.4170
20 O2 Oh S 6 4 3 1.459 112.707 149.62 -0.6510
21 H2O Ho E 20 6 4 0.964 109.258 -67.04 0.4110
LOOP
O4 C1
DONE
0DU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.520 -135.68 0.4360
5 H1 H2 E 4 3 2 1.090 44.078 -112.04 0.0000
6 O4 Os S 4 3 2 1.554 137.950 -176.42 -0.5170
7 C4 Cg 3 6 4 3 1.588 113.584 155.63 0.1350
8 H4 H1 E 7 6 4 1.091 108.738 -120.59 0.0000
9 C5 Cg 3 7 6 4 1.542 110.504 119.77 0.3730
10 H52 H1 E 9 7 6 1.091 110.456 -60.02 0.0000
11 H51 H1 E 9 7 6 1.090 109.887 -179.59 0.0000
12 O5 Oh S 9 7 6 1.439 110.322 60.67 -0.7250
13 H5O Ho E 12 9 7 0.959 109.321 36.11 0.4180
14 C3 Cg 3 7 6 4 1.620 104.668 -4.25 0.3000
15 H3 H1 E 14 7 6 1.091 107.749 -104.45 0.0000
16 O3 Oh S 14 7 6 1.446 112.944 136.27 -0.6420
17 H3O Ho E 16 14 7 0.970 106.239 -112.71 0.4050
18 C2 Cg B 14 7 6 1.642 107.806 11.75 0.2840
19 H2 H1 E 18 14 7 1.089 110.775 -134.90 0.0000
20 O2 Oh S 18 14 7 1.464 109.295 105.12 -0.6800
21 H2O Ho E 20 18 14 0.969 107.470 -139.03 0.4070
LOOP
C2 C1
DONE
0EA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg 3 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 C3 Cg 3 6 4 3 1.541 114.896 172.06 0.3280
9 H3 H1 E 8 6 4 1.091 110.106 -167.45 0.0000
10 C4 Cg 3 8 6 4 1.544 111.809 -45.05 0.2610
11 H4 H1 E 10 8 6 1.091 108.188 -68.68 0.0000
12 C5 Cg 3 10 8 6 1.541 113.133 51.50 0.3740
13 H5 H1 E 12 10 8 1.092 109.237 63.30 0.0000
14 C6 Cg 3 12 10 8 1.535 114.012 -174.39 0.2590
15 H62 H1 E 14 12 10 1.090 110.525 -56.55 0.0000
16 H61 H1 E 14 12 10 1.091 110.727 63.66 0.0000
17 O6 Oh S 14 12 10 1.434 108.916 -175.95 -0.6630
18 H6O Ho E 17 14 12 0.960 109.470 59.69 0.4060
19 O5 Os E 12 10 8 1.485 107.816 -54.81 -0.5870
20 O4 Oh S 10 8 6 1.439 109.304 174.29 -0.7210
21 H4O Ho E 20 10 8 0.960 109.412 -61.37 0.4150
22 O3 Oh S 8 6 4 1.442 106.866 75.38 -0.7140
23 H3O Ho E 22 8 6 0.960 109.461 58.71 0.4200
24 O2 Oh S 6 4 3 1.437 106.903 53.10 -0.6900
25 H2O Ho E 24 6 4 0.960 109.486 -57.88 0.4470
LOOP
O5 C1
DONE
0EB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os S 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg 3 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Oh S 9 7 6 1.439 109.977 57.72 -0.6770
13 H6O Ho E 12 9 7 0.962 108.042 -50.79 0.4080
14 C4 Cg 3 7 6 4 1.549 109.730 55.16 0.3200
15 H4 H1 E 14 7 6 1.091 108.584 66.50 0.0000
16 O4 Oh S 14 7 6 1.457 110.564 -175.67 -0.7240
17 H4O Ho E 16 14 7 0.964 110.039 -157.92 0.4200
18 C3 Cg 3 14 7 6 1.554 111.196 -53.07 0.3150
19 H3 H1 E 18 14 7 1.091 109.198 176.72 0.0000
20 O3 Oh S 18 14 7 1.454 110.601 -64.53 -0.6810
21 H3O Ho E 20 18 14 0.965 108.397 -50.06 0.4030
22 C2 Cg B 18 14 7 1.540 111.264 55.77 0.1840
23 H2 H1 E 22 18 14 1.091 109.856 -175.33 0.0000
24 O2 Oh S 22 18 14 1.463 107.825 66.95 -0.6970
25 H2O Ho E 24 22 18 0.966 108.305 -175.24 0.4320
LOOP
C2 C1
DONE
0FA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.482 98.666 -135.91 0.3990
5 H1 H2 E 4 3 2 1.090 143.009 167.64 0.0000
6 C2 Cg 3 4 3 2 1.566 103.719 15.57 0.4560
7 H2 H1 E 6 4 3 1.091 107.661 -140.81 0.0000
8 C3 Cg 3 6 4 3 1.550 109.810 -22.26 0.2280
9 H3 H1 E 8 6 4 1.091 109.256 60.66 0.0000
10 C4 Cg 3 8 6 4 1.549 109.944 -58.35 0.2630
11 H4 H1 E 10 8 6 1.091 108.978 175.77 0.0000
12 C5 Cg 3 10 8 6 1.554 111.442 55.77 0.1870
13 H5 H1 E 12 10 8 1.091 107.126 67.59 0.0000
14 C6 Cg 3 12 10 8 1.531 115.122 -173.47 0.0650
15 H63 Hc E 14 12 10 1.090 111.280 -55.79 0.0000
16 H62 Hc E 14 12 10 1.091 111.136 -175.22 0.0000
17 H61 Hc E 14 12 10 1.091 112.013 64.74 0.0000
18 O5 Os E 12 10 8 1.495 111.650 -50.00 -0.4940
19 O4 Oh S 10 8 6 1.452 109.204 -66.42 -0.7390
20 H4O Ho E 19 10 8 0.966 107.152 -53.10 0.4470
21 O3 Oh S 8 6 4 1.464 112.278 179.81 -0.6930
22 H3O Ho E 21 8 6 0.965 108.720 -78.93 0.4260
23 O2 Oh S 6 4 3 1.463 112.192 101.91 -0.8040
24 H2O Ho E 23 6 4 0.961 108.560 155.60 0.4530
LOOP
O5 C1
DONE
0FB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 27.023 80.980 -137.29 0.4180
5 H1 H2 E 4 3 2 1.091 89.699 -141.90 0.0000
6 O5 Os S 4 3 2 1.479 135.888 101.36 -0.4420
7 C5 Cg 3 6 4 3 1.481 116.331 175.37 0.1060
8 H5 H1 E 7 6 4 1.092 108.301 -57.82 0.0000
9 C6 Cg 3 7 6 4 1.531 108.182 -173.94 0.0920
10 H63 Hc E 9 7 6 1.091 111.199 179.97 0.0000
11 H62 Hc E 9 7 6 1.091 112.070 -59.60 0.0000
12 H61 Hc E 9 7 6 1.091 111.160 60.55 0.0000
13 C4 Cg 3 7 6 4 1.543 108.818 59.65 0.2290
14 H4 H1 E 13 7 6 1.091 109.875 -177.36 0.0000
15 O4 Oh S 13 7 6 1.445 108.672 63.53 -0.6590
16 H4O Ho E 15 13 7 0.960 109.451 59.43 0.4230
17 C3 Cg 3 13 7 6 1.542 109.625 -56.43 0.2550
18 H3 H1 E 17 13 7 1.092 107.830 -66.01 0.0000
19 O3 Oh S 17 13 7 1.440 109.284 176.95 -0.6760
20 H3O Ho E 19 17 13 0.960 109.419 178.46 0.4270
21 C2 Cg B 17 13 7 1.542 112.898 54.44 0.3460
22 H2 H1 E 21 17 13 1.092 109.972 72.13 0.0000
23 O2 Oh S 21 17 13 1.439 107.835 -168.68 -0.7650
24 H2O Ho E 23 21 17 0.960 109.418 -179.92 0.4400
LOOP
C2 C1
DONE
0GA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg 3 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 C3 Cg 3 6 4 3 1.543 111.424 -164.87 0.2860
9 H3 H1 E 8 6 4 1.092 109.239 69.49 0.0000
10 C4 Cg 3 8 6 4 1.547 112.114 -52.22 0.2540
11 H4 H1 E 10 8 6 1.092 109.454 -66.45 0.0000
12 C5 Cg 3 10 8 6 1.543 111.254 54.50 0.2830
13 H5 H1 E 12 10 8 1.092 108.261 65.38 0.0000
14 C6 Cg 3 12 10 8 1.546 112.538 -174.79 0.2760
15 H62 H1 E 14 12 10 1.090 110.682 -45.93 0.0000
16 H61 H1 E 14 12 10 1.091 110.014 73.31 0.0000
17 O6 Oh S 14 12 10 1.444 110.823 -165.78 -0.6820
18 H6O Ho E 17 14 12 0.960 109.735 78.35 0.4180
19 O5 Os E 12 10 8 1.500 109.539 -52.54 -0.5740
20 O4 Oh S 10 8 6 1.451 108.956 174.69 -0.7100
21 H4O Ho E 20 10 8 0.968 107.227 50.66 0.4360
22 O3 Oh S 8 6 4 1.452 108.531 -172.18 -0.6990
23 H3O Ho E 22 8 6 0.967 107.382 -43.08 0.4270
24 O2 Oh S 6 4 3 1.465 111.499 -41.43 -0.7130
25 H2O Ho E 24 6 4 0.967 109.170 -40.31 0.4370
LOOP
O5 C1
DONE
0GB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os S 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg 3 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Oh S 9 7 6 1.440 109.810 57.27 -0.6880
13 H6O Ho E 12 9 7 0.962 108.265 -53.10 0.4240
14 C4 Cg 3 7 6 4 1.543 108.909 58.25 0.2760
15 H4 H1 E 14 7 6 1.092 109.352 66.92 0.0000
16 O4 Oh S 14 7 6 1.448 108.899 -174.36 -0.7140
17 H4O Ho E 16 14 7 0.967 107.435 172.17 0.4400
18 C3 Cg 3 14 7 6 1.548 111.306 -54.04 0.2840
19 H3 H1 E 18 14 7 1.092 109.104 -67.30 0.0000
20 O3 Oh S 18 14 7 1.454 108.817 174.47 -0.7090
21 H3O Ho E 20 18 14 0.967 107.396 -174.95 0.4320
22 C2 Cg B 18 14 7 1.545 112.113 53.55 0.3100
23 H2 H1 E 22 18 14 1.092 109.394 68.33 0.0000
24 O2 Oh S 22 18 14 1.458 108.975 -172.91 -0.7180
25 H2O Ho E 24 22 18 0.966 108.053 175.61 0.4370
LOOP
C2 C1
DONE
0GL INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg 3 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg 3 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 C5 Cg 3 11 8 4 1.567 112.768 48.37 0.4560
14 H5 H1 E 13 11 8 1.092 108.297 68.08 0.0000
15 C6 Cg 3 13 11 8 1.539 108.763 -49.82 0.0900
16 H6 H1 E 15 13 11 1.090 106.039 -60.75 0.0000
17 C7 Cg 3 15 13 11 1.539 119.513 -178.30 0.2610
18 H7 H1 E 17 15 13 1.091 108.030 65.66 0.0000
19 C8 Cg 3 17 15 13 1.556 112.912 -174.86 0.2810
20 H8 H1 E 19 17 15 1.091 109.679 63.78 0.0000
21 C9 Cg 3 19 17 15 1.546 111.802 -175.39 0.2520
22 H9S H1 E 21 19 17 1.090 110.707 -58.01 0.0000
23 H9R H1 E 21 19 17 1.091 110.154 61.57 0.0000
24 O9 Oh S 21 19 17 1.442 110.110 -178.23 -0.6810
25 H9O Ho E 24 21 19 0.966 105.599 -41.84 0.4170
26 O8 Oh S 19 17 15 1.465 109.875 -55.42 -0.6830
27 H8O Ho E 26 19 17 0.989 111.171 71.70 0.4230
28 O7 Oh S 17 15 13 1.451 109.645 -51.18 -0.7120
29 H7O Ho E 28 17 15 0.975 109.093 67.68 0.4080
30 O6 Oy E 15 13 11 1.441 107.618 56.16 -0.3040
31 N5 Ng B 13 11 8 1.485 111.696 -171.77 -0.7570
32 H5N H E 31 13 11 1.009 118.343 39.83 0.3120
33 C5N C B 31 13 11 1.340 123.871 -145.50 0.6520
34 CME Cg 3 33 31 13 1.585 118.309 179.32 0.2780
35 H2M H1 E 34 33 31 1.090 107.247 -134.99 0.0000
36 H1M H1 E 34 33 31 1.090 107.406 109.99 0.0000
37 OHG Oh S 34 33 31 1.456 118.581 -12.68 -0.6530
38 HOG Ho E 37 34 33 0.961 109.618 -127.32 0.3850
39 O5N O E 33 31 13 1.229 120.643 -1.25 -0.6120
40 O4 Oh S 11 8 4 1.459 108.592 172.16 -0.7990
41 H4O Ho E 40 11 8 0.960 109.015 167.74 0.4350
LOOP
O6 C2
DONE
0HA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.582 98.678 -136.05 0.3940
5 H1 H2 E 4 3 2 1.090 147.150 175.74 0.0000
6 C2 Cg 3 4 3 2 1.554 100.578 20.48 0.2480
7 H2 H1 E 6 4 3 1.091 109.542 95.73 0.0000
8 C3 Cg 3 6 4 3 1.545 110.654 -24.92 0.2360
9 H3 H1 E 8 6 4 1.092 108.370 66.81 0.0000
10 C4 Cg 3 8 6 4 1.545 112.380 -53.49 0.1870
11 H4 H1 E 10 8 6 1.091 109.690 -65.16 0.0000
12 C5 Cg 3 10 8 6 1.549 110.317 55.89 0.2790
13 H5 H1 E 12 10 8 1.092 108.902 66.22 0.0000
14 C6 Cg 3 12 10 8 1.530 113.869 -172.74 0.0230
15 H63 Hc E 14 12 10 1.090 111.509 -61.06 0.0000
16 H62 Hc E 14 12 10 1.091 111.314 179.43 0.0000
17 H61 Hc E 14 12 10 1.091 111.668 59.25 0.0000
18 O5 Os E 12 10 8 1.486 110.695 -52.49 -0.4610
19 O4 Oh S 10 8 6 1.456 108.727 175.97 -0.6440
20 H4O Ho E 19 10 8 0.963 110.183 165.58 0.4050
21 O3 Oh S 8 6 4 1.452 109.719 -175.81 -0.6490
22 H3O Ho E 21 8 6 0.965 106.808 176.43 0.4250
23 O2 Oh S 6 4 3 1.456 109.547 -146.01 -0.6700
24 H2O Ho E 23 6 4 0.965 106.818 171.13 0.4210
LOOP
O5 C1
DONE
0HB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 29.347 69.123 -148.90 0.3810
5 H1 H2 E 4 3 2 1.091 126.377 48.27 0.0000
6 O5 Os S 4 3 2 1.479 92.197 -66.81 -0.4270
7 C5 Cg 3 6 4 3 1.483 115.750 -171.42 0.1720
8 H5 H1 E 7 6 4 1.092 107.917 -63.31 0.0000
9 C6M Cg 3 7 6 4 1.530 107.056 -179.94 0.0390
10 H1M Hc E 9 7 6 1.091 111.297 57.52 0.0000
11 H2M Hc E 9 7 6 1.091 111.709 -62.68 0.0000
12 H3M Hc E 9 7 6 1.091 111.441 177.01 0.0000
13 C4 Cg 3 7 6 4 1.547 109.717 55.61 0.3880
14 H4 H1 E 13 7 6 1.092 109.750 73.54 0.0000
15 O4 Oh S 13 7 6 1.438 107.632 -167.68 -0.7280
16 H4O Ho E 15 13 7 0.960 109.440 -59.01 0.4320
17 C3 Cg 3 13 7 6 1.543 112.131 -48.94 0.1820
18 H3 H1 E 17 13 7 1.092 109.049 -68.66 0.0000
19 O3 Oh S 17 13 7 1.440 109.818 173.25 -0.6650
20 H3O Ho E 19 17 13 0.960 109.425 57.73 0.4180
21 C2 Cg B 17 13 7 1.542 112.684 51.25 0.2430
22 H2 H1 E 21 17 13 1.091 110.140 -175.78 0.0000
23 O2 Oh S 21 17 13 1.446 109.350 64.20 -0.6730
24 H2O Ho E 23 21 17 0.960 109.408 59.77 0.4320
LOOP
C2 C1
DONE
0JA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.611 99.408 -130.23 0.1140
5 C1 Cg 3 4 3 2 1.562 33.359 109.85 0.4100
6 H12 H1 E 5 4 3 1.091 109.780 -32.30 0.0000
7 H11 H1 E 5 4 3 1.091 110.432 86.63 0.0000
8 O1 Oh S 5 4 3 1.437 111.258 -152.64 -0.6560
9 H1O Ho E 8 5 4 0.970 105.489 31.79 0.4050
10 C3 Cg 3 4 3 2 1.561 108.078 4.40 0.2710
11 H3 H1 E 10 4 3 1.091 109.484 -29.48 0.0000
12 C4 Cg 3 10 4 3 1.550 111.054 -149.95 0.2810
13 H4 H1 E 12 10 4 1.091 108.892 64.55 0.0000
14 C5 Cg 3 12 10 4 1.547 111.417 -55.51 0.2730
15 H5 H1 E 14 12 10 1.091 109.946 -64.34 0.0000
16 C6 Cg 3 14 12 10 1.541 110.532 56.44 0.3680
17 H6E H1 E 16 14 12 1.090 110.023 -172.59 0.0000
18 H6A H1 E 16 14 12 1.091 109.951 68.78 0.0000
19 O6 Os E 16 14 12 1.489 111.422 -51.66 -0.5040
20 O5 Oh S 14 12 10 1.453 109.662 176.22 -0.6990
21 H5O Ho E 20 14 12 0.965 108.090 56.66 0.4190
22 O4 Oh S 12 10 4 1.460 109.496 -177.99 -0.6720
23 H4O Ho E 22 12 10 0.964 109.388 -81.32 0.4130
24 O3 Oh S 10 4 3 1.458 110.234 89.20 -0.6540
25 H3O Ho E 24 10 4 0.966 107.634 165.84 0.4250
LOOP
O6 C2
DONE
0JB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.338 98.495 -136.31 0.4130
5 O6 Os S 4 3 2 1.484 136.913 168.93 -0.5510
6 C6 Cg 3 5 4 3 1.484 117.065 151.25 0.2920
7 H6E H1 E 6 5 4 1.090 109.046 175.12 0.0000
8 H6A H1 E 6 5 4 1.091 108.728 -67.49 0.0000
9 C5 Cg 3 6 5 4 1.547 111.063 53.76 0.3740
10 H5 H1 E 9 6 5 1.091 108.987 71.66 0.0000
11 O5 Oh S 9 6 5 1.455 109.300 -169.66 -0.7290
12 H5O Ho E 11 9 6 0.962 111.074 52.54 0.4260
13 C4 Cg 3 9 6 5 1.550 111.895 -49.63 0.1550
14 H4 H1 E 13 9 6 1.090 108.402 -67.51 0.0000
15 O4 Oh S 13 9 6 1.459 110.935 175.25 -0.6840
16 H4O Ho E 15 13 9 0.968 109.165 45.21 0.4380
17 C3 Cg B 13 9 6 1.551 111.966 52.01 0.3630
18 H3 H1 E 17 13 9 1.091 109.562 -175.27 0.0000
19 O3 Oh S 17 13 9 1.461 107.359 67.28 -0.7250
20 H3O Ho E 19 17 13 0.967 106.570 50.21 0.4320
21 C1 Cg 3 4 3 2 1.565 68.430 -90.76 0.2800
22 H12 H1 E 21 4 3 1.091 109.821 33.19 0.0000
23 H11 H1 E 21 4 3 1.089 110.419 151.32 0.0000
24 O1 Oh S 21 4 3 1.444 112.820 -88.26 -0.7220
25 H1O Ho E 24 21 4 0.965 107.671 41.74 0.4320
LOOP
C3 C2
DONE
0JD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920
5 C1 Cg 3 4 3 2 1.554 10.224 -140.48 0.3890
6 H12 H1 E 5 4 3 1.091 109.769 84.88 0.0000
7 H11 H1 E 5 4 3 1.091 110.219 -156.13 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -35.41 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 50.29 0.3800
10 C3 Cg 3 4 3 2 1.637 108.016 16.20 0.3930
11 H3 H1 E 10 4 3 1.091 112.376 -99.86 0.0000
12 C4 Cg 3 10 4 3 1.642 105.965 138.66 0.2330
13 H4 H1 E 12 10 4 1.090 107.367 95.04 0.0000
14 C5 Cg 3 12 10 4 1.625 107.375 -19.81 0.1900
15 H5 H1 E 14 12 10 1.091 108.940 130.16 0.0000
16 C6 Cg 3 14 12 10 1.542 114.908 -106.54 0.3400
17 H62 H1 E 16 14 12 1.090 110.250 66.65 0.0000
18 H61 H1 E 16 14 12 1.090 110.186 -52.85 0.0000
19 O6 Oh S 16 14 12 1.441 110.517 -172.30 -0.7250
20 H6O Ho E 19 16 14 0.959 110.296 58.30 0.4250
21 O5 Os E 14 12 10 1.585 104.597 13.44 -0.4100
22 O4 Oh S 12 10 4 1.458 113.311 -146.22 -0.6710
23 H4O Ho E 22 12 10 0.965 110.086 -102.72 0.4140
24 O3 Oh S 10 4 3 1.455 110.333 22.08 -0.7480
25 H3O Ho E 24 10 4 0.969 106.278 138.38 0.4460
LOOP
O5 C2
DONE
0JU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510
5 O5 Os S 4 3 2 1.569 141.794 -176.42 -0.3890
6 C5 Cg 3 5 4 3 1.585 113.364 166.72 0.1000
7 H5 H1 E 6 5 4 1.089 109.200 -122.53 0.0000
8 C6 Cg 3 6 5 4 1.537 108.498 118.12 0.3490
9 H62 H1 E 8 6 5 1.089 110.316 -54.99 0.0000
10 H61 H1 E 8 6 5 1.090 111.054 -175.70 0.0000
11 O6 Oh S 8 6 5 1.435 108.026 64.54 -0.6840
12 H6O Ho E 11 8 6 0.962 107.568 -44.32 0.4110
13 C4 Cg 3 6 5 4 1.619 104.895 -5.59 0.2840
14 H4 H1 E 13 6 5 1.091 107.554 -103.32 0.0000
15 O4 Oh S 13 6 5 1.442 113.035 137.27 -0.6570
16 H4O Ho E 15 13 6 0.969 105.977 -113.16 0.4100
17 C3 Cg B 13 6 5 1.639 107.844 12.75 0.2230
18 H3 H1 E 17 13 6 1.090 110.597 -136.61 0.0000
19 O3 Oh S 17 13 6 1.460 109.186 103.85 -0.6710
20 H3O Ho E 19 17 13 0.971 106.808 -128.68 0.4160
21 C1 Cg 3 4 3 2 1.554 50.342 -105.76 0.3330
22 H12 H1 E 21 4 3 1.090 110.121 39.98 0.0000
23 H11 H1 E 21 4 3 1.090 109.574 158.57 0.0000
24 O1 Oh S 21 4 3 1.448 111.622 -81.07 -0.6970
25 H1O Ho E 24 21 4 0.961 109.656 -173.81 0.4150
LOOP
C3 C2
DONE
0KA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg 3 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 C3 Cg 3 6 4 3 1.544 115.219 178.76 0.3540
9 H3 H1 E 8 6 4 1.091 109.846 -171.16 0.0000
10 C4 Cg 3 8 6 4 1.541 111.196 -48.97 0.1960
11 H4 H1 E 10 8 6 1.091 109.723 170.85 0.0000
12 C5 Cg 3 10 8 6 1.549 113.058 48.50 0.3010
13 H5 H1 E 12 10 8 1.092 107.347 66.38 0.0000
14 C6 Cg 3 12 10 8 1.535 114.885 -173.99 0.2870
15 H62 H1 E 14 12 10 1.090 110.246 -52.70 0.0000
16 H61 H1 E 14 12 10 1.091 110.887 67.51 0.0000
17 O6 Oh S 14 12 10 1.434 108.908 -172.15 -0.6910
18 H6O Ho E 17 14 12 0.960 109.471 59.53 0.4220
19 O5 Os E 12 10 8 1.489 109.902 -50.90 -0.5400
20 O4 Oh S 10 8 6 1.440 107.338 -72.13 -0.7120
21 H4O Ho E 20 10 8 0.960 109.466 -178.56 0.4200
22 O3 Oh S 8 6 4 1.440 110.218 69.79 -0.7440
23 H3O Ho E 22 8 6 0.960 109.437 59.70 0.4360
24 O2 Oh S 6 4 3 1.439 110.808 -54.40 -0.7160
25 H2O Ho E 24 6 4 0.960 109.409 -63.57 0.4270
LOOP
O5 C1
DONE
0KB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os S 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg 3 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Oh S 9 7 6 1.441 110.162 62.18 -0.6700
13 H6O Ho E 12 9 7 0.962 108.273 -57.74 0.4160
14 C4 Cg 3 7 6 4 1.553 110.891 55.18 0.2170
15 H4 H1 E 14 7 6 1.091 108.867 -172.31 0.0000
16 O4 Oh S 14 7 6 1.455 110.952 69.39 -0.7000
17 H4O Ho E 16 14 7 0.964 110.377 163.16 0.4250
18 C3 Cg 3 14 7 6 1.545 111.117 -51.77 0.2530
19 H3 H1 E 18 14 7 1.091 109.391 173.95 0.0000
20 O3 Oh S 18 14 7 1.452 107.992 -68.85 -0.7100
21 H3O Ho E 20 18 14 0.968 107.267 175.38 0.4420
22 C2 Cg B 18 14 7 1.547 111.988 52.75 0.3080
23 H2 H1 E 22 18 14 1.091 108.509 65.85 0.0000
24 O2 Oh S 22 18 14 1.462 109.337 -176.76 -0.7100
25 H2O Ho E 24 22 18 0.965 108.091 178.76 0.4260
LOOP
C2 C1
DONE
0LA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg 3 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 C3 Cg 3 6 4 3 1.541 112.432 -178.15 0.2530
9 H3 H1 E 8 6 4 1.091 109.206 67.02 0.0000
10 C4 Cg 3 8 6 4 1.544 111.714 -53.08 0.2040
11 H4 H1 E 10 8 6 1.091 109.766 175.51 0.0000
12 C5 Cg 3 10 8 6 1.544 110.422 54.48 0.2160
13 H5 H1 E 12 10 8 1.092 107.514 62.91 0.0000
14 C6 Cg 3 12 10 8 1.535 114.934 -177.18 0.3080
15 H62 H1 E 14 12 10 1.090 110.251 -53.15 0.0000
16 H61 H1 E 14 12 10 1.091 110.918 67.08 0.0000
17 O6 Oh S 14 12 10 1.434 108.858 -172.60 -0.6840
18 H6O Ho E 17 14 12 0.960 109.466 59.52 0.4180
19 O5 Os E 12 10 8 1.490 109.289 -54.45 -0.5270
20 O4 Oh S 10 8 6 1.445 109.785 -64.95 -0.6730
21 H4O Ho E 20 10 8 0.960 109.470 179.80 0.4360
22 O3 Oh S 8 6 4 1.440 110.035 -174.48 -0.7010
23 H3O Ho E 22 8 6 0.960 109.438 -57.69 0.4330
24 O2 Oh S 6 4 3 1.440 109.403 -55.56 -0.7240
25 H2O Ho E 24 6 4 0.960 109.415 -61.40 0.4310
LOOP
O5 C1
DONE
0LB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os S 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg 3 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Oh S 9 7 6 1.437 109.027 63.12 -0.6930
13 H6O Ho E 12 9 7 0.961 107.830 -58.33 0.4190
14 C4 Cg 3 7 6 4 1.545 110.103 55.47 0.2030
15 H4 H1 E 14 7 6 1.091 109.333 -173.92 0.0000
16 O4 Oh S 14 7 6 1.449 109.628 67.34 -0.6640
17 H4O Ho E 16 14 7 0.967 107.158 -172.89 0.4370
18 C3 Cg 3 14 7 6 1.546 110.517 -53.62 0.2590
19 H3 H1 E 18 14 7 1.092 108.098 -64.81 0.0000
20 O3 Oh S 18 14 7 1.455 109.126 178.29 -0.6940
21 H3O Ho E 20 18 14 0.967 107.449 -176.92 0.4330
22 C2 Cg B 18 14 7 1.547 112.254 55.04 0.3570
23 H2 H1 E 22 18 14 1.092 109.716 67.43 0.0000
24 O2 Oh S 22 18 14 1.459 108.705 -173.71 -0.7260
25 H2O Ho E 24 22 18 0.965 107.724 175.67 0.4320
LOOP
C2 C1
DONE
0MA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg 3 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 C3 Cg 3 6 4 3 1.545 110.571 -158.93 0.2520
9 H3 H1 E 8 6 4 1.092 108.528 64.93 0.0000
10 C4 Cg 3 8 6 4 1.549 111.609 -54.79 0.3260
11 H4 H1 E 10 8 6 1.091 109.865 -64.38 0.0000
12 C5 Cg 3 10 8 6 1.546 110.605 57.15 0.2760
13 H5 H1 E 12 10 8 1.092 108.214 65.71 0.0000
14 C6 Cg 3 12 10 8 1.544 112.153 -174.59 0.2660
15 H62 H1 E 14 12 10 1.090 110.579 -46.84 0.0000
16 H61 H1 E 14 12 10 1.091 110.051 72.33 0.0000
17 O6 Oh S 14 12 10 1.444 110.952 -166.67 -0.6880
18 H6O Ho E 17 14 12 0.960 109.923 72.72 0.4220
19 O5 Os E 12 10 8 1.497 110.394 -52.31 -0.5070
20 O4 Oh S 10 8 6 1.452 108.734 176.59 -0.7330
21 H4O Ho E 20 10 8 0.966 107.267 52.91 0.4380
22 O3 Oh S 8 6 4 1.461 109.595 -177.93 -0.6960
23 H3O Ho E 22 8 6 0.964 109.699 -74.81 0.4310
24 O2 Oh S 6 4 3 1.459 110.007 79.71 -0.7170
25 H2O Ho E 24 6 4 0.965 108.621 167.29 0.4460
LOOP
O5 C1
DONE
0MB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os S 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg 3 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Oh S 9 7 6 1.439 109.850 57.44 -0.6800
13 H6O Ho E 12 9 7 0.962 108.414 -55.86 0.4190
14 C4 Cg 3 7 6 4 1.550 110.843 51.87 0.3490
15 H4 H1 E 14 7 6 1.091 109.789 70.94 0.0000
16 O4 Oh S 14 7 6 1.452 108.352 -170.58 -0.7460
17 H4O Ho E 16 14 7 0.963 108.380 -159.72 0.4430
18 C3 Cg 3 14 7 6 1.553 110.419 -50.51 0.2630
19 H3 H1 E 18 14 7 1.092 108.588 -60.79 0.0000
20 O3 Oh S 18 14 7 1.457 111.995 -178.50 -0.6920
21 H3O Ho E 20 18 14 0.962 109.624 81.59 0.4300
22 C2 Cg B 18 14 7 1.547 110.623 57.43 0.2410
23 H2 H1 E 22 18 14 1.091 110.076 180.00 0.0000
24 O2 Oh S 22 18 14 1.459 110.769 59.28 -0.6640
25 H2O Ho E 24 22 18 0.964 107.524 -173.81 0.4310
LOOP
C2 C1
DONE
0NA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg 3 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 C3 Cg 3 6 4 3 1.541 114.996 179.46 0.3300
9 H3 H1 E 8 6 4 1.091 109.966 -173.17 0.0000
10 C4 Cg 3 8 6 4 1.543 108.602 -52.73 0.1670
11 H4 H1 E 10 8 6 1.091 108.011 -66.83 0.0000
12 C5 Cg 3 10 8 6 1.545 113.659 53.52 0.4040
13 H5 H1 E 12 10 8 1.092 109.059 65.09 0.0000
14 C6 Cg 3 12 10 8 1.535 113.747 -172.97 0.2800
15 H62 H1 E 14 12 10 1.090 110.540 -56.41 0.0000
16 H61 H1 E 14 12 10 1.091 110.668 63.75 0.0000
17 O6 Oh S 14 12 10 1.434 109.011 -175.88 -0.6630
18 H6O Ho E 17 14 12 0.960 109.493 59.88 0.3960
19 O5 Os E 12 10 8 1.489 108.589 -53.11 -0.6110
20 O4 Oh S 10 8 6 1.439 109.206 176.30 -0.7330
21 H4O Ho E 20 10 8 0.960 109.442 -63.39 0.4440
22 O3 Oh S 8 6 4 1.445 109.604 67.22 -0.7140
23 H3O Ho E 22 8 6 0.960 109.446 176.58 0.4410
24 O2 Oh S 6 4 3 1.439 110.664 -54.19 -0.6680
25 H2O Ho E 24 6 4 0.960 109.386 -64.68 0.4150
LOOP
O5 C1
DONE
0NB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os S 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg 3 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Oh S 9 7 6 1.438 109.178 57.79 -0.6890
13 H6O Ho E 12 9 7 0.962 107.694 -47.58 0.4180
14 C4 Cg 3 7 6 4 1.547 108.536 56.26 0.2860
15 H4 H1 E 14 7 6 1.091 108.641 63.49 0.0000
16 O4 Oh S 14 7 6 1.447 110.674 -178.31 -0.7070
17 H4O Ho E 16 14 7 0.966 108.053 84.25 0.4300
18 C3 Cg 3 14 7 6 1.546 111.303 -56.16 0.2340
19 H3 H1 E 18 14 7 1.092 109.685 177.82 0.0000
20 O3 Oh S 18 14 7 1.458 109.719 -63.09 -0.6150
21 H3O Ho E 20 18 14 0.967 107.516 169.04 0.3890
22 C2 Cg B 18 14 7 1.544 109.920 57.50 0.3010
23 H2 H1 E 22 18 14 1.093 108.226 64.66 0.0000
24 O2 Oh S 22 18 14 1.458 109.185 -178.16 -0.7030
25 H2O Ho E 24 22 18 0.966 108.382 -178.62 0.4240
LOOP
C2 C1
DONE
0OA INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.395 99.023 -130.46 0.3050
5 H1 H2 E 4 3 2 1.090 24.072 100.29 0.0000
6 C2 Cg 3 4 3 2 1.563 111.265 10.63 0.4130
7 H2 H1 E 6 4 3 1.091 108.988 73.46 0.0000
8 C3 Cg 3 6 4 3 1.548 110.939 -166.09 0.2510
9 H3 H1 E 8 6 4 1.092 108.206 62.18 0.0000
10 C4 Cg 3 8 6 4 1.551 110.284 -55.76 0.2670
11 H4 H1 E 10 8 6 1.091 109.469 -178.62 0.0000
12 C5 Cg 3 10 8 6 1.540 109.735 61.11 0.0540
13 H5 H1 E 12 10 8 1.092 108.800 60.69 0.0000
14 C6 C B 12 10 8 1.566 106.527 176.50 0.8960
15 O6A O2 E 14 12 10 1.252 116.529 -102.85 -0.8220
16 O6B O2 E 14 12 10 1.255 117.285 72.11 -0.8220
17 O5 Os E 12 10 8 1.515 109.060 -56.67 -0.4240
18 O4 Oh S 10 8 6 1.455 111.597 -58.02 -0.7040
19 H4O Ho E 18 10 8 0.981 106.629 154.94 0.4290
20 O3 Oh S 8 6 4 1.460 111.666 179.27 -0.7250
21 H3O Ho E 20 8 6 0.964 107.278 -33.23 0.4160
22 O2 Oh S 6 4 3 1.464 109.237 -44.39 -0.7710
23 H2O Ho E 22 6 4 0.966 105.614 -34.97 0.4310
LOOP
O5 C1
DONE
0OB INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.376 98.399 -136.27 0.3010
5 H1 H2 E 4 3 2 1.091 69.069 -92.25 0.0000
6 O5 Os S 4 3 2 1.462 130.396 170.60 -0.4140
7 C5 Cg 3 6 4 3 1.506 116.408 147.12 0.0490
8 H5 H1 E 7 6 4 1.092 106.456 -59.37 0.0000
9 C6 C B 7 6 4 1.574 118.473 -176.63 0.8380
10 O6B O2 E 9 7 6 1.256 116.247 -176.00 -0.7940
11 O6A O2 E 9 7 6 1.254 118.706 9.49 -0.7940
12 C4 Cg 3 7 6 4 1.538 109.239 56.00 0.2600
13 H4 H1 E 12 7 6 1.091 109.884 -175.27 0.0000
14 O4 Oh S 12 7 6 1.450 109.662 65.53 -0.6610
15 H4O Ho E 14 12 7 0.961 107.547 -173.76 0.4020
16 C3 Cg 3 12 7 6 1.548 110.856 -55.41 0.2590
17 H3 H1 E 16 12 7 1.092 108.063 -63.15 0.0000
18 O3 Oh S 16 12 7 1.466 108.667 -179.51 -0.7080
19 H3O Ho E 18 16 12 0.961 109.065 79.16 0.4040
20 C2 Cg B 16 12 7 1.553 111.733 55.81 0.3830
21 H2 H1 E 20 16 12 1.091 109.497 69.57 0.0000
22 O2 Oh S 20 16 12 1.460 110.302 -170.66 -0.7320
23 H2O Ho E 22 20 16 0.962 106.473 175.50 0.4010
LOOP
C2 C1
DONE
0PA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 25.577 79.066 -133.43 0.4170
5 C1 Cg 3 4 3 2 1.541 26.010 100.53 0.3270
6 H12 H1 E 5 4 3 1.091 110.581 1.25 0.0000
7 H11 H1 E 5 4 3 1.091 110.426 120.84 0.0000
8 O1 Oh S 5 4 3 1.436 110.176 -119.10 -0.6440
9 H1O Ho E 8 5 4 0.960 109.427 60.11 0.3930
10 C3 Cg 3 4 3 2 1.558 99.850 -27.83 0.1500
11 H3 H1 E 10 4 3 1.091 107.175 74.35 0.0000
12 C4 Cg 3 10 4 3 1.543 115.259 -167.84 0.3940
13 H4 H1 E 12 10 4 1.091 110.047 -172.55 0.0000
14 C5 Cg 3 12 10 4 1.541 108.511 -52.13 0.1530
15 H5 H1 E 14 12 10 1.091 108.437 -65.69 0.0000
16 C6 Cg 3 14 12 10 1.536 113.177 54.52 0.3930
17 H6E H1 E 16 14 12 1.090 110.388 -174.85 0.0000
18 H6A H1 E 16 14 12 1.091 110.767 65.28 0.0000
19 O6 Os E 16 14 12 1.482 109.077 -55.00 -0.5980
20 O5 Oh S 14 12 10 1.437 110.081 176.63 -0.6930
21 H5O Ho E 20 14 12 0.960 109.495 56.94 0.4280
22 O4 Oh S 12 10 4 1.445 109.700 67.72 -0.7020
23 H4O Ho E 22 12 10 0.960 109.435 60.08 0.4320
24 O3 Oh S 10 4 3 1.441 111.232 -41.58 -0.6650
25 H3O Ho E 24 10 4 0.960 109.411 -63.14 0.4090
LOOP
O6 C2
DONE
0PB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.410 98.300 -136.21 0.4070
5 O6 Os S 4 3 2 1.479 135.293 168.58 -0.5400
6 C6 Cg 3 5 4 3 1.483 117.190 146.77 0.3640
7 H6E H1 E 6 5 4 1.090 109.004 179.12 0.0000
8 H6A H1 E 6 5 4 1.091 109.618 -62.69 0.0000
9 C5 Cg 3 6 5 4 1.540 108.996 58.93 0.1880
10 H5 H1 E 9 6 5 1.091 108.080 63.62 0.0000
11 O5 Oh S 9 6 5 1.454 110.659 -178.62 -0.7050
12 H5O Ho E 11 9 6 0.967 108.400 85.69 0.4330
13 C4 Cg 3 9 6 5 1.546 111.137 -55.37 0.3280
14 H4 H1 E 13 9 6 1.091 109.097 173.70 0.0000
15 O4 Oh S 13 9 6 1.453 109.563 -68.11 -0.6980
16 H4O Ho E 15 13 9 0.967 106.113 178.47 0.4270
17 C3 Cg B 13 9 6 1.548 111.648 53.12 0.1800
18 H3 H1 E 17 13 9 1.092 106.115 68.15 0.0000
19 O3 Oh S 17 13 9 1.462 110.163 -176.47 -0.6810
20 H3O Ho E 19 17 13 0.967 108.335 -167.48 0.4220
21 C1 Cg 3 4 3 2 1.572 62.826 -96.98 0.3790
22 H12 H1 E 21 4 3 1.091 110.003 43.55 0.0000
23 H11 H1 E 21 4 3 1.088 110.382 162.11 0.0000
24 O1 Oh S 21 4 3 1.452 112.720 -77.60 -0.7200
25 H1O Ho E 24 21 4 0.961 109.403 -178.93 0.4100
LOOP
C3 C2
DONE
0PD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240
5 C1 Cg 3 4 3 2 1.533 28.030 -160.44 0.2860
6 H12 H1 E 5 4 3 1.091 110.436 100.46 0.0000
7 H11 H1 E 5 4 3 1.091 110.553 -139.51 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 -19.62 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 179.30 0.4190
10 C3 Cg 3 4 3 2 1.632 94.644 -17.33 0.3340
11 H3 H1 E 10 4 3 1.090 107.716 7.04 0.0000
12 C4 Cg 3 10 4 3 1.629 107.129 121.35 0.2820
13 H4 H1 E 12 10 4 1.091 111.828 -141.87 0.0000
14 C5 Cg 3 12 10 4 1.626 106.867 -18.01 0.1940
15 H5 H1 E 14 12 10 1.092 111.109 129.12 0.0000
16 C6 Cg 3 14 12 10 1.529 112.801 -107.47 0.2910
17 H62 H1 E 16 14 12 1.091 110.695 60.83 0.0000
18 H61 H1 E 16 14 12 1.090 110.281 -59.44 0.0000
19 O6 Oh S 16 14 12 1.433 108.604 -178.96 -0.6950
20 H6O Ho E 19 16 14 0.960 109.454 59.02 0.4110
21 O5 Os E 14 12 10 1.580 105.532 10.85 -0.4530
22 O4 Oh S 12 10 4 1.437 109.593 96.29 -0.6830
23 H4O Ho E 22 12 10 0.960 109.464 62.85 0.4210
24 O3 Oh S 10 4 3 1.441 114.290 -111.78 -0.6610
25 H3O Ho E 24 10 4 0.960 109.502 178.91 0.4150
LOOP
O5 C2
DONE
0PU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880
5 O5 Os S 4 3 2 1.576 153.289 123.56 -0.4800
6 C5 Cg 3 5 4 3 1.576 112.884 -156.65 0.3690
7 H5 H1 E 6 5 4 1.092 109.275 -128.49 0.0000
8 C6 Cg 3 6 5 4 1.529 108.414 112.31 0.2150
9 H62 H1 E 8 6 5 1.091 110.659 -56.54 0.0000
10 H61 H1 E 8 6 5 1.090 110.301 -176.80 0.0000
11 O6 Oh S 8 6 5 1.433 108.649 63.62 -0.6780
12 H6O Ho E 11 8 6 0.960 109.500 58.51 0.4210
13 C4 Cg 3 6 5 4 1.623 105.494 -8.76 0.1920
14 H4 H1 E 13 6 5 1.091 112.074 133.66 0.0000
15 O4 Oh S 13 6 5 1.438 106.122 -107.17 -0.7110
16 H4O Ho E 15 13 6 0.960 109.445 -63.95 0.4380
17 C3 Cg B 13 6 5 1.631 107.338 11.41 0.3340
18 H3 H1 E 17 13 6 1.091 107.070 107.51 0.0000
19 O3 Oh S 17 13 6 1.441 112.809 -134.73 -0.7140
20 H3O Ho E 19 17 13 0.960 109.493 -55.92 0.4240
21 C1 Cg 3 4 3 2 1.541 66.606 -151.42 0.3650
22 H12 H1 E 21 4 3 1.091 110.660 23.30 0.0000
23 H11 H1 E 21 4 3 1.090 109.918 142.71 0.0000
24 O1 Oh S 21 4 3 1.437 110.203 -97.59 -0.6870
25 H1O Ho E 24 21 4 0.960 109.513 179.45 0.4180
LOOP
C3 C2
DONE
0QA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.541 98.563 -135.84 0.4650
5 H1 H1 E 4 3 2 1.090 143.841 166.97 0.0000
6 C2 Cg 3 4 3 2 1.556 100.905 19.24 0.2810
7 H2 H1 E 6 4 3 1.091 107.701 -146.56 0.0000
8 C3 Cg 3 6 4 3 1.550 110.755 -28.22 0.3120
9 H3 H1 E 8 6 4 1.092 109.248 69.54 0.0000
10 C4 Cg 3 8 6 4 1.550 112.115 -52.01 0.2080
11 H4 H1 E 10 8 6 1.092 109.113 -67.92 0.0000
12 C5 Cg 3 10 8 6 1.546 111.848 52.85 0.2340
13 H5 H1 E 12 10 8 1.092 108.966 67.39 0.0000
14 C6 Cg 3 12 10 8 1.531 114.081 -171.50 0.0600
15 H63 Hc E 14 12 10 1.091 111.703 58.97 0.0000
16 H62 Hc E 14 12 10 1.091 111.508 -61.39 0.0000
17 H61 Hc E 14 12 10 1.091 111.279 179.14 0.0000
18 O5 Os E 12 10 8 1.487 110.112 -51.22 -0.5590
19 O4 Oh S 10 8 6 1.456 109.169 173.44 -0.6640
20 H4O Ho E 19 10 8 0.963 110.329 161.22 0.4030
21 O3 Oh S 8 6 4 1.451 110.060 -171.22 -0.6970
22 H3O Ho E 21 8 6 0.963 107.525 178.74 0.4240
23 O2 Oh S 6 4 3 1.464 109.956 96.40 -0.6950
24 H2O Ho E 23 6 4 0.963 109.360 -58.41 0.4220
LOOP
O5 C1
DONE
0QB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.690 -136.00 0.3910
5 H1 H1 E 4 3 2 1.091 73.758 -94.90 0.0000
6 O5 Os S 4 3 2 1.461 131.794 163.13 -0.5350
7 C5 Cg 3 6 4 3 1.486 115.375 148.89 0.2710
8 H5 H1 E 7 6 4 1.092 108.323 -60.93 0.0000
9 C6 Cg 3 7 6 4 1.530 107.192 -177.83 0.0480
10 H63 Hc E 9 7 6 1.091 111.710 -62.84 0.0000
11 H62 Hc E 9 7 6 1.091 111.509 176.79 0.0000
12 H61 Hc E 9 7 6 1.091 111.262 57.32 0.0000
13 C4 Cg 3 7 6 4 1.548 109.336 58.05 0.2500
14 H4 H1 E 13 7 6 1.092 109.232 68.58 0.0000
15 O4 Oh S 13 7 6 1.451 108.892 -172.72 -0.7130
16 H4O Ho E 15 13 7 0.966 107.748 175.11 0.4210
17 C3 Cg 3 13 7 6 1.549 111.410 -52.29 0.3000
18 H3 H1 E 17 13 7 1.092 108.988 -68.86 0.0000
19 O3 Oh S 17 13 7 1.454 108.773 173.08 -0.6890
20 H3O Ho E 19 17 13 0.966 107.391 -175.24 0.4200
21 C2 Cg B 17 13 7 1.546 112.577 52.00 0.3230
22 H2 H1 E 21 17 13 1.092 109.469 68.14 0.0000
23 O2 Oh S 21 17 13 1.460 109.130 -172.95 -0.7130
24 H2O Ho E 23 21 17 0.966 107.987 174.66 0.4200
LOOP
C2 C1
DONE
0RA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.589 79.139 -133.47 0.4880
5 H1 H2 E 4 3 2 1.090 27.374 95.92 0.0000
6 C2 Cg 3 4 3 2 1.547 95.699 -25.09 0.2530
7 H2 H1 E 6 4 3 1.091 106.529 74.90 0.0000
8 C3 Cg 3 6 4 3 1.542 115.155 -166.91 0.3450
9 H3 H1 E 8 6 4 1.091 110.101 -172.87 0.0000
10 C4 Cg 3 8 6 4 1.542 108.334 -52.41 0.1220
11 H4 H1 E 10 8 6 1.091 108.377 -66.41 0.0000
12 C5 Cg 3 10 8 6 1.537 113.340 53.79 0.3770
13 H5E H1 E 12 10 8 1.090 110.366 -174.24 0.0000
14 H5A H1 E 12 10 8 1.091 110.701 65.98 0.0000
15 O5 Os E 12 10 8 1.483 109.246 -54.31 -0.5610
16 O4 Oh S 10 8 6 1.437 110.093 175.95 -0.6630
17 H4O Ho E 16 10 8 0.960 109.433 -63.23 0.4190
18 O3 Oh S 8 6 4 1.445 109.646 67.35 -0.7370
19 H3O Ho E 18 8 6 0.960 109.441 178.00 0.4430
20 O2 Oh S 6 4 3 1.439 110.676 -40.46 -0.7110
21 H2O Ho E 20 6 4 0.960 109.367 -64.82 0.4190
LOOP
O5 C1
DONE
0RB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.373 98.520 -136.09 0.4810
5 H1 H2 E 4 3 2 1.090 64.264 -93.14 0.0000
6 O5 Os S 4 3 2 1.470 130.910 172.20 -0.5760
7 C5 Cg 3 6 4 3 1.488 115.378 141.01 0.3350
8 H5E H1 E 7 6 4 1.090 108.921 174.98 0.0000
9 H5A H1 E 7 6 4 1.091 109.218 -67.32 0.0000
10 C4 Cg 3 7 6 4 1.549 109.926 54.38 0.2360
11 H4 H1 E 10 7 6 1.091 108.456 64.34 0.0000
12 O4 Oh S 10 7 6 1.453 110.505 -177.82 -0.6950
13 H4O Ho E 12 10 7 0.963 110.348 -165.05 0.4110
14 C3 Cg 3 10 7 6 1.548 110.878 -55.20 0.2030
15 H3 H1 E 14 10 7 1.091 109.669 178.81 0.0000
16 O3 Oh S 14 10 7 1.460 108.674 -62.27 -0.6960
17 H3O Ho E 16 14 10 0.965 108.989 -56.44 0.4280
18 C2 Cg B 14 10 7 1.550 108.635 58.91 0.3850
19 H2 H1 E 18 14 10 1.092 108.039 58.75 0.0000
20 O2 Oh S 18 14 10 1.459 111.068 175.70 -0.7320
21 H2O Ho E 20 18 14 0.963 108.588 169.06 0.4140
LOOP
C2 C1
DONE
0RD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 21.697 99.148 -131.21 0.4450
5 H1 H2 E 4 3 2 1.090 4.631 -133.95 0.0000
6 C2 Cg 3 4 3 2 1.639 108.788 16.92 0.3180
7 H2 H1 E 6 4 3 1.090 106.253 24.71 0.0000
8 C3 Cg 3 6 4 3 1.641 106.653 138.14 0.2750
9 H3 H1 E 8 6 4 1.090 110.829 -140.13 0.0000
10 C4 Cg 3 8 6 4 1.627 107.074 -17.90 0.3270
11 H4 H1 E 10 8 6 1.091 110.687 126.58 0.0000
12 C5 Cg 3 10 8 6 1.540 111.841 -110.98 0.1950
13 H52 H1 E 12 10 8 1.090 109.854 62.87 0.0000
14 H51 H1 E 12 10 8 1.090 109.790 -55.87 0.0000
15 O5 Oh S 12 10 8 1.441 111.480 -176.24 -0.6670
16 H5O Ho E 15 12 10 0.961 110.927 63.80 0.4080
17 O4 Os E 10 8 6 1.590 104.801 9.06 -0.5130
18 O3 Oh S 8 6 4 1.452 110.052 99.39 -0.7390
19 H3O Ho E 18 8 6 0.969 108.678 -13.86 0.4380
20 O2 Oh S 6 4 3 1.461 116.185 -94.11 -0.7090
21 H2O Ho E 20 6 4 0.962 110.320 178.71 0.4160
LOOP
O4 C1
DONE
0RU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.636 98.718 -136.21 0.3780
5 H1 H1 E 4 3 2 1.091 92.407 -91.72 0.0000
6 O4 Os S 4 3 2 1.557 127.421 149.85 -0.4240
7 C4 Cg 3 6 4 3 1.587 113.195 -122.12 0.1020
8 H4 H1 E 7 6 4 1.091 108.133 -112.74 0.0000
9 C5 Cg 3 7 6 4 1.534 111.781 126.34 0.3380
10 H52 H1 E 9 7 6 1.090 110.006 -172.13 0.0000
11 H51 H1 E 9 7 6 1.090 110.394 -52.52 0.0000
12 O5 Oh S 9 7 6 1.436 109.887 68.16 -0.6920
13 H5O Ho E 12 9 7 0.959 109.586 178.63 0.4150
14 C3 Cg 3 7 6 4 1.616 104.949 4.12 0.2890
15 H3 H1 E 14 7 6 1.091 109.320 105.86 0.0000
16 O3 Oh S 14 7 6 1.443 110.518 -134.81 -0.6830
17 H3O Ho E 16 14 7 0.968 106.484 98.07 0.4280
18 C2 Cg B 14 7 6 1.643 107.735 -11.40 0.2930
19 H2 H1 E 18 14 7 1.091 110.396 135.88 0.0000
20 O2 Oh S 18 14 7 1.462 110.605 -103.78 -0.6700
21 H2O Ho E 20 18 14 0.963 109.628 -173.50 0.4200
LOOP
C2 C1
DONE
0SA INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg 3 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg 3 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 C5 Cg 3 11 8 4 1.560 113.169 49.81 0.3080
14 H5 H1 E 13 11 8 1.092 108.441 67.41 0.0000
15 C6 Cg 3 13 11 8 1.544 108.513 -50.35 0.2200
16 H6 H1 E 15 13 11 1.090 106.016 -61.45 0.0000
17 C7 Cg 3 15 13 11 1.543 118.917 -178.92 0.1110
18 H7 H1 E 17 15 13 1.091 107.799 66.42 0.0000
19 C8 Cg 3 17 15 13 1.556 112.192 -175.03 0.4920
20 H8 H1 E 19 17 15 1.091 109.991 62.63 0.0000
21 C9 Cg 3 19 17 15 1.552 112.385 -175.84 0.1780
22 H9S H1 E 21 19 17 1.090 110.169 -56.42 0.0000
23 H9R H1 E 21 19 17 1.091 109.920 62.24 0.0000
24 O9 Oh S 21 19 17 1.449 111.722 -176.90 -0.6890
25 H9O Ho E 24 21 19 0.965 107.018 -49.30 0.4080
26 O8 Oh S 19 17 15 1.460 109.072 -56.72 -0.7390
27 H8O Ho E 26 19 17 0.983 110.254 72.72 0.4120
28 O7 Oh S 17 15 13 1.460 110.189 -50.14 -0.7210
29 H7O Ho E 28 17 15 0.977 109.950 68.18 0.4350
30 O6 Oy E 15 13 11 1.441 107.983 55.53 -0.4030
31 N5 Ng B 13 11 8 1.484 111.436 -172.57 -0.6290
32 H5N H E 31 13 11 1.007 117.476 40.91 0.2800
33 C5N C B 31 13 11 1.337 123.580 -145.57 0.6320
34 CME Cg 3 33 31 13 1.541 116.316 -179.71 -0.0030
35 H3M Hc E 34 33 31 1.092 110.905 -29.98 0.0000
36 H2M Hc E 34 33 31 1.091 109.813 -150.00 0.0000
37 H1M Hc E 34 33 31 1.091 109.337 90.47 0.0000
38 O5N O E 33 31 13 1.228 122.141 -0.64 -0.5930
39 O4 Oh S 11 8 4 1.451 108.218 172.28 -0.7620
40 H4O Ho E 39 11 8 0.959 109.266 178.83 0.4150
LOOP
O6 C2
DONE
0SB INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 O6 Oy S 4 3 2 1.445 145.506 159.51 -0.3440
6 C6 Cg 3 5 4 3 1.443 119.813 -92.67 -0.0080
7 H6 H1 E 6 5 4 1.092 107.318 57.48 0.0000
8 C7 Cg 3 6 5 4 1.547 109.625 172.11 0.2780
9 H7 H1 E 8 6 5 1.091 107.450 -165.18 0.0000
10 O7 Oh S 8 6 5 1.449 109.778 78.46 -0.6560
11 H7O Ho E 10 8 6 0.974 109.644 69.17 0.3900
12 C8 Cg 3 8 6 5 1.556 114.439 -45.46 0.3670
13 H8 H1 E 12 8 6 1.091 109.577 68.20 0.0000
14 O8 Oh S 12 8 6 1.460 109.033 -50.18 -0.7040
15 H8O Ho E 14 12 8 0.967 107.039 66.84 0.3920
16 C9 Cg 3 12 8 6 1.547 112.389 -170.25 0.2010
17 H9S H1 E 16 12 8 1.090 110.247 -58.95 0.0000
18 H9R H1 E 16 12 8 1.091 110.087 60.19 0.0000
19 O9 Oh S 16 12 8 1.445 110.971 -179.23 -0.6720
20 H9O Ho E 19 16 12 0.965 106.904 -44.06 0.3930
21 C5 Cg 3 6 5 4 1.541 109.363 -58.37 0.5230
22 H5 H1 E 21 6 5 1.092 109.167 -66.57 0.0000
23 N5 Ng B 21 6 5 1.475 109.670 173.19 -0.6690
24 H5N H E 23 21 6 1.005 117.089 -78.72 0.2610
25 C5N C B 23 21 6 1.332 123.259 97.44 0.6780
26 O5N O E 25 23 21 1.226 121.725 -3.82 -0.6340
27 CME Cg 3 25 23 21 1.541 116.623 176.07 -0.0050
28 H3M Hc E 27 25 23 1.092 111.130 23.27 0.0000
29 H2M Hc E 27 25 23 1.091 109.294 -97.18 0.0000
30 H1M Hc E 27 25 23 1.091 109.699 143.39 0.0000
31 C4 Cg 3 21 6 5 1.555 110.257 52.05 0.2030
32 H4 H1 E 31 21 6 1.092 108.890 66.49 0.0000
33 O4 Oh S 31 21 6 1.460 112.068 -174.46 -0.7140
34 H4O Ho E 33 31 21 0.961 110.372 -59.82 0.3900
35 C3 Cg B 31 21 6 1.538 110.759 -52.78 0.1330
36 H3E Hc E 35 31 21 1.093 109.710 176.81 0.0000
37 H3A Hc E 35 31 21 1.093 108.781 -68.27 0.0000
38 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
39 O1B O2 E 38 4 3 1.259 115.056 -18.63 -0.8390
40 O1A O2 E 38 4 3 1.254 119.478 159.58 -0.8390
LOOP
C3 C2
DONE
0TA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg 3 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 C3 Cg 3 6 4 3 1.545 112.024 178.31 0.1240
9 H3 H1 E 8 6 4 1.091 106.708 69.61 0.0000
10 C4 Cg 3 8 6 4 1.543 114.910 -48.48 0.4340
11 H4 H1 E 10 8 6 1.091 109.633 172.69 0.0000
12 C5 Cg 3 10 8 6 1.544 109.739 52.34 0.1570
13 H5 H1 E 12 10 8 1.092 107.463 63.77 0.0000
14 C6 Cg 3 12 10 8 1.535 114.896 -176.35 0.3040
15 H62 H1 E 14 12 10 1.090 110.263 -52.86 0.0000
16 H61 H1 E 14 12 10 1.091 110.896 67.37 0.0000
17 O6 Oh S 14 12 10 1.434 108.863 -172.31 -0.6690
18 H6O Ho E 17 14 12 0.960 109.462 59.57 0.4010
19 O5 Os E 12 10 8 1.488 109.541 -53.52 -0.4800
20 O4 Oh S 10 8 6 1.443 110.261 -67.82 -0.7310
21 H4O Ho E 20 10 8 0.960 109.459 -179.88 0.4170
22 O3 Oh S 8 6 4 1.439 110.774 -174.86 -0.6870
23 H3O Ho E 22 8 6 0.960 109.479 -54.69 0.4420
24 O2 Oh S 6 4 3 1.440 106.453 57.61 -0.6550
25 H2O Ho E 24 6 4 0.960 109.490 -58.28 0.4360
LOOP
O5 C1
DONE
0TB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os S 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg 3 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Oh S 9 7 6 1.434 108.837 64.00 -0.6660
13 H6O Ho E 12 9 7 0.960 109.430 -59.34 0.4060
14 C4 Cg 3 7 6 4 1.547 109.426 59.69 0.3140
15 H4 H1 E 14 7 6 1.091 109.475 -172.25 0.0000
16 O4 Oh S 14 7 6 1.443 108.917 69.31 -0.6260
17 H4O Ho E 16 14 7 0.960 109.455 59.28 0.4130
18 C3 Cg 3 14 7 6 1.547 110.218 -51.66 0.1740
19 H3 H1 E 18 14 7 1.091 106.762 -67.21 0.0000
20 O3 Oh S 18 14 7 1.439 110.707 177.22 -0.6780
21 H3O Ho E 20 18 14 0.960 109.373 -64.34 0.4250
22 C2 Cg B 18 14 7 1.545 114.890 50.96 0.3400
23 H2 H1 E 22 18 14 1.091 109.957 -172.30 0.0000
24 O2 Oh S 22 18 14 1.444 109.766 67.90 -0.6370
25 H2O Ho E 24 22 18 0.960 109.413 -178.32 0.3970
LOOP
C2 C1
DONE
0TV INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.566 98.776 -135.85 0.4700
5 H1 H1 E 4 3 2 1.090 146.791 164.00 0.0000
6 C2 Cg 3 4 3 2 1.563 96.446 20.88 0.1910
7 H2 H1 E 6 4 3 1.091 108.990 87.96 0.0000
8 C3 Cg 3 6 4 3 1.535 113.371 -33.59 -0.0140
9 H32 Hc E 8 6 4 1.093 108.757 71.70 0.0000
10 H31 Hc E 8 6 4 1.093 110.603 -172.97 0.0000
11 C4 Cg 3 8 6 4 1.535 111.168 -49.67 0.3020
12 H4 H1 E 11 8 6 1.091 109.450 -67.40 0.0000
13 C5 Cg 3 11 8 6 1.553 112.112 54.29 0.3010
14 H5 H1 E 13 11 8 1.092 108.905 64.83 0.0000
15 C6 Cg 3 13 11 8 1.530 113.975 -174.02 0.0070
16 H63 Hc E 15 13 11 1.091 111.485 -61.33 0.0000
17 H62 Hc E 15 13 11 1.091 111.681 59.00 0.0000
18 H61 Hc E 15 13 11 1.091 111.306 179.18 0.0000
19 O5 Os E 13 11 8 1.490 110.400 -53.80 -0.5160
20 O4 Oh S 11 8 6 1.446 106.980 175.05 -0.7390
21 H4O Ho E 20 11 8 0.961 109.446 60.50 0.4390
22 O2 Oh S 6 4 3 1.451 110.808 -154.07 -0.6720
23 H2O Ho E 22 6 4 0.962 109.923 -165.71 0.4250
LOOP
O5 C1
DONE
0Tv INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 29.383 69.065 -149.02 0.4280
5 H1 H1 E 4 3 2 1.091 126.101 64.42 0.0000
6 O5 Os S 4 3 2 1.478 96.692 -54.47 -0.4960
7 C5 Cg 3 6 4 3 1.481 115.346 -169.68 0.2710
8 H5 H1 E 7 6 4 1.092 108.331 -61.04 0.0000
9 C6 Cg 3 7 6 4 1.530 107.109 -178.07 0.0170
10 H63 Hc E 9 7 6 1.091 111.734 -62.25 0.0000
11 H62 Hc E 9 7 6 1.091 111.279 57.96 0.0000
12 H61 Hc E 9 7 6 1.091 111.431 177.43 0.0000
13 C4 Cg 3 7 6 4 1.544 108.725 57.81 0.2960
14 H4 H1 E 13 7 6 1.091 109.448 70.86 0.0000
15 O4 Oh S 13 7 6 1.436 108.510 -170.47 -0.7290
16 H4O Ho E 15 13 7 0.960 109.450 -58.57 0.4250
17 C3 Cg 3 13 7 6 1.542 113.120 -51.10 0.0070
18 H32 Hc E 17 13 7 1.093 110.063 -70.43 0.0000
19 H31 Hc E 17 13 7 1.092 110.313 173.67 0.0000
20 C2 Cg B 17 13 7 1.538 111.976 50.24 0.2080
21 H2 H1 E 20 17 13 1.091 109.586 -173.03 0.0000
22 O2 Oh S 20 17 13 1.442 107.633 68.93 -0.6440
23 H2O Ho E 22 20 17 0.960 109.465 59.04 0.4110
LOOP
C2 C1
DONE
0UA INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.490 98.494 -135.80 0.3630
5 H1 H2 E 4 3 2 1.090 133.285 160.45 0.0000
6 C2 Cg 3 4 3 2 1.559 106.137 19.27 0.2590
7 H2 H1 E 6 4 3 1.092 108.691 -14.77 0.0000
8 C3 Cg 3 6 4 3 1.555 110.585 -134.12 0.4170
9 H3 H1 E 8 6 4 1.092 108.809 -73.26 0.0000
10 C4 Cg 3 8 6 4 1.551 113.490 47.73 0.2230
11 H4 H1 E 10 8 6 1.092 108.495 63.78 0.0000
12 C5 Cg 3 10 8 6 1.541 110.331 -54.77 0.2320
13 H5 H1 E 12 10 8 1.091 107.517 172.11 0.0000
14 C6 C B 12 10 8 1.591 111.292 -72.79 0.6970
15 O6A O2 E 14 12 10 1.252 118.306 124.19 -0.7570
16 O6B O2 E 14 12 10 1.255 117.111 -52.87 -0.7570
17 O5 Os E 12 10 8 1.503 106.777 57.99 -0.5150
18 O4 Oh S 10 8 6 1.461 110.962 -178.03 -0.7110
19 H4O Ho E 18 10 8 0.984 107.477 94.04 0.3970
20 O3 Oh S 8 6 4 1.454 110.391 168.10 -0.7710
21 H3O Ho E 20 8 6 0.966 105.279 -166.24 0.4170
22 O2 Oh S 6 4 3 1.469 109.784 103.84 -0.6850
23 H2O Ho E 22 6 4 0.960 110.184 68.39 0.3850
LOOP
O5 C1
DONE
0UB INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.486 98.866 -136.63 0.2780
5 H1 H2 E 4 3 2 1.090 81.785 -98.80 0.0000
6 O5 Os S 4 3 2 1.478 136.016 152.83 -0.4300
7 C5 Cg 3 6 4 3 1.512 117.828 -89.26 0.1940
8 H5 H1 E 7 6 4 1.091 106.542 -169.54 0.0000
9 C6 C B 7 6 4 1.581 117.000 73.30 0.7500
10 O6B O2 E 9 7 6 1.255 117.682 -174.70 -0.7830
11 O6A O2 E 9 7 6 1.252 117.516 3.62 -0.7830
12 C4 Cg 3 7 6 4 1.546 108.685 -54.23 0.3080
13 H4 H1 E 12 7 6 1.092 107.557 -65.54 0.0000
14 O4 Oh S 12 7 6 1.456 111.691 177.10 -0.7450
15 H4O Ho E 14 12 7 0.987 106.847 -27.71 0.4220
16 C3 Cg 3 12 7 6 1.552 112.015 52.87 0.2860
17 H3 H1 E 16 12 7 1.091 109.935 64.98 0.0000
18 O3 Oh S 16 12 7 1.460 108.958 -175.86 -0.7550
19 H3O Ho E 18 16 12 0.968 105.498 -44.40 0.4210
20 C2 Cg B 16 12 7 1.545 109.635 -56.37 0.2890
21 H2 H1 E 20 16 12 1.091 107.746 -60.80 0.0000
22 O2 Oh S 20 16 12 1.455 110.598 -177.09 -0.6800
23 H2O Ho E 22 20 16 0.964 105.470 34.40 0.4220
LOOP
C2 C1
DONE
0VA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.481 98.684 -135.89 0.3890
5 H1 H2 E 4 3 2 1.090 143.995 158.32 0.0000
6 C2 Cg 3 4 3 2 1.564 98.936 18.14 0.3990
7 H2 H1 E 6 4 3 1.092 107.476 -151.91 0.0000
8 C3 Cg 3 6 4 3 1.551 110.856 -34.26 0.1760
9 H3 H1 E 8 6 4 1.091 108.463 65.04 0.0000
10 C4 Cg 3 8 6 4 1.547 111.657 -53.80 0.3260
11 H4 H1 E 10 8 6 1.091 109.161 175.84 0.0000
12 C5 Cg 3 10 8 6 1.548 111.081 55.51 0.1120
13 H5 H1 E 12 10 8 1.091 106.814 64.45 0.0000
14 C6 Cg 3 12 10 8 1.543 114.704 -178.15 0.3620
15 H62 H1 E 14 12 10 1.090 110.167 -176.18 0.0000
16 H61 H1 E 14 12 10 1.090 109.608 -57.43 0.0000
17 O6 Oh S 14 12 10 1.435 111.052 62.92 -0.7110
18 H6O Ho E 17 14 12 0.972 106.687 -28.27 0.4240
19 O5 Os E 12 10 8 1.497 110.914 -51.89 -0.4660
20 O4 Oh S 10 8 6 1.450 108.917 -66.09 -0.7010
21 H4O Ho E 20 10 8 0.968 106.613 -47.88 0.4420
22 O3 Oh S 8 6 4 1.462 112.217 -176.56 -0.6780
23 H3O Ho E 22 8 6 0.964 110.475 -57.52 0.4250
24 N2 Ng B 6 4 3 1.483 111.776 89.86 -0.5950
25 H2N H E 24 6 4 1.007 117.335 -84.05 0.2380
26 C2N C B 24 6 4 1.336 122.570 82.01 0.6250
27 CME Cg 3 26 24 6 1.541 116.317 -175.68 0.0320
28 H3M Hc E 27 26 24 1.091 110.069 50.52 0.0000
29 H2M Hc E 27 26 24 1.091 110.181 170.34 0.0000
30 H1M Hc E 27 26 24 1.091 109.644 -69.76 0.0000
31 O2N O E 26 24 6 1.227 121.897 4.65 -0.6050
LOOP
O5 C1
DONE
0VB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.423 98.572 -136.34 0.3050
5 H1 H2 E 4 3 2 1.091 71.466 -92.28 0.0000
6 O5 Os S 4 3 2 1.472 131.894 169.48 -0.4080
7 C5 Cg 3 6 4 3 1.495 116.111 147.03 0.1360
8 H5 H1 E 7 6 4 1.092 107.966 -63.70 0.0000
9 C6 Cg 3 7 6 4 1.539 109.857 178.62 0.3530
10 H62 H1 E 9 7 6 1.090 110.929 -56.55 0.0000
11 H61 H1 E 9 7 6 1.091 110.331 -176.87 0.0000
12 O6 Oh S 9 7 6 1.436 108.896 63.69 -0.7140
13 H6O Ho E 12 9 7 0.962 107.704 -58.75 0.4270
14 C4 Cg 3 7 6 4 1.544 110.300 53.58 0.2530
15 H4 H1 E 14 7 6 1.091 109.265 -173.55 0.0000
16 O4 Oh S 14 7 6 1.445 109.653 67.69 -0.6900
17 H4O Ho E 16 14 7 0.968 108.059 -163.84 0.4400
18 C3 Cg 3 14 7 6 1.544 111.265 -52.85 0.1520
19 H3 H1 E 18 14 7 1.092 108.104 -62.30 0.0000
20 O3 Oh S 18 14 7 1.462 108.677 -178.29 -0.6650
21 H3O Ho E 20 18 14 0.963 111.335 83.35 0.4150
22 C2 Cg B 18 14 7 1.558 111.369 56.32 0.5440
23 H2 H1 E 22 18 14 1.091 108.714 61.92 0.0000
24 N2 Ng B 22 18 14 1.481 110.595 -177.69 -0.6860
25 H2N H E 24 22 18 1.005 118.080 75.06 0.2540
26 C2N C B 24 22 18 1.336 122.747 -106.72 0.5860
27 O2N O E 26 24 22 1.227 122.402 0.23 -0.5640
28 CME Cg 3 26 24 22 1.543 116.272 179.61 0.0560
29 H3M Hc E 28 26 24 1.092 110.645 35.56 0.0000
30 H2M Hc E 28 26 24 1.091 109.982 155.53 0.0000
31 H1M Hc E 28 26 24 1.091 109.419 -84.79 0.0000
LOOP
C2 C1
DONE
0WA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.550 -135.71 0.4621
5 H1 H2 E 4 3 2 1.090 140.848 159.80 0.0000
6 C2 Cg 3 4 3 2 1.554 101.409 17.32 0.2750
7 H2 H1 E 6 4 3 1.092 108.155 87.79 0.0000
8 C3 Cg 3 6 4 3 1.549 109.899 -30.46 0.2520
9 H3 H1 E 8 6 4 1.091 108.295 65.94 0.0000
10 C4 Cg 3 8 6 4 1.550 112.400 -53.90 0.3213
11 H4 H1 E 10 8 6 1.091 108.333 -69.37 0.0000
12 C5 Cg 3 10 8 6 1.547 112.664 51.61 0.2421
13 H5 H1 E 12 10 8 1.092 107.873 70.23 0.0000
14 C6 Cg 3 12 10 8 1.545 113.564 -171.33 0.2995
15 H62 H1 E 14 12 10 1.090 109.575 173.73 0.0000
16 H61 H1 E 14 12 10 1.090 109.924 -68.06 0.0000
17 O6 Oh S 14 12 10 1.443 112.033 52.74 -0.6618
18 H6O Ho E 17 14 12 0.961 109.813 -82.79 0.3959
19 O5 Os E 12 10 8 1.495 111.317 -46.63 -0.5415
20 O4 Oh S 10 8 6 1.458 109.485 172.59 -0.7305
21 H4O Ho E 20 10 8 0.964 111.017 -55.33 0.4424
22 O3 Oh S 8 6 4 1.455 110.348 -176.42 -0.6987
23 H3O Ho E 22 8 6 0.965 109.543 171.31 0.4159
24 N2 Ng B 6 4 3 1.482 111.229 -154.80 -0.4751
25 H2N H E 24 6 4 1.007 117.562 110.34 0.2142
26 C2N C B 24 6 4 1.336 123.787 -73.97 0.5909
27 CME Cg 3 26 24 6 1.539 115.681 -177.62 -0.0340
28 H3M Hc E 27 26 24 1.091 109.810 -60.19 0.0000
29 H2M Hc E 27 26 24 1.091 110.252 179.93 0.0000
30 H1M Hc E 27 26 24 1.091 109.868 60.00 0.0000
31 O2N O E 26 24 6 1.229 122.265 3.32 -0.5757
LOOP
O5 C1
DONE
0WB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.516 98.511 -136.43 0.3870
5 H1 H2 E 4 3 2 1.091 72.898 -90.19 0.0000
6 O5 Os S 4 3 2 1.464 129.676 168.95 -0.4980
7 C5 Cg 3 6 4 3 1.498 114.507 143.60 0.3210
8 H5 H1 E 7 6 4 1.092 108.050 -62.29 0.0000
9 C6 Cg 3 7 6 4 1.542 108.838 -179.98 0.2470
10 H62 H1 E 9 7 6 1.091 110.098 -62.68 0.0000
11 H61 H1 E 9 7 6 1.090 110.437 177.81 0.0000
12 O6 Oh S 9 7 6 1.442 110.379 57.48 -0.6630
13 H6O Ho E 12 9 7 0.962 108.929 -56.35 0.4130
14 C4 Cg 3 7 6 4 1.549 109.860 56.38 0.2770
15 H4 H1 E 14 7 6 1.092 109.334 70.38 0.0000
16 O4 Oh S 14 7 6 1.447 108.932 -170.99 -0.7430
17 H4O Ho E 16 14 7 0.968 107.478 170.69 0.4390
18 C3 Cg 3 14 7 6 1.551 111.754 -50.66 0.2170
19 H3 H1 E 18 14 7 1.092 108.749 -66.35 0.0000
20 O3 Oh S 18 14 7 1.458 109.433 176.28 -0.6580
21 H3O Ho E 20 18 14 0.972 110.221 -149.04 0.4130
22 C2 Cg B 18 14 7 1.550 112.012 52.70 0.2940
23 H2 H1 E 22 18 14 1.092 107.937 -171.40 0.0000
24 N2 Ng B 22 18 14 1.485 111.811 69.61 -0.5580
25 H2N H E 24 22 18 1.007 117.378 -91.94 0.2650
26 C2N C B 24 22 18 1.337 123.528 90.12 0.5850
27 O2N O E 26 24 22 1.229 121.350 -4.57 -0.6000
28 CME Cg 3 26 24 22 1.544 116.722 177.13 0.0560
29 H3M Hc E 28 26 24 1.092 111.211 -15.23 0.0000
30 H2M Hc E 28 26 24 1.091 109.840 -135.47 0.0000
31 H1M Hc E 28 26 24 1.090 109.199 104.92 0.0000
LOOP
C2 C1
DONE
0XA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.552 98.376 -135.65 0.4820
5 H1 H2 E 4 3 2 1.090 143.066 154.55 0.0000
6 C2 Cg 3 4 3 2 1.552 98.681 14.07 0.1970
7 H2 H1 E 6 4 3 1.091 107.726 -152.01 0.0000
8 C3 Cg 3 6 4 3 1.543 111.214 -33.26 0.3590
9 H3 H1 E 8 6 4 1.092 109.408 69.19 0.0000
10 C4 Cg 3 8 6 4 1.547 112.192 -52.80 0.2470
11 H4 H1 E 10 8 6 1.091 109.623 -66.19 0.0000
12 C5 Cg 3 10 8 6 1.539 110.634 53.97 0.3350
13 H5E H1 E 12 10 8 1.090 109.984 -172.58 0.0000
14 H5A H1 E 12 10 8 1.091 110.140 68.68 0.0000
15 O5 Os E 12 10 8 1.489 111.025 -51.97 -0.5880
16 O4 Oh S 10 8 6 1.453 110.240 174.10 -0.7200
17 H4O Ho E 16 10 8 0.967 107.931 54.72 0.4200
18 O3 Oh S 8 6 4 1.451 108.116 -172.55 -0.7120
19 H3O Ho E 18 8 6 0.966 107.240 -43.40 0.4210
20 O2 Oh S 6 4 3 1.464 111.006 90.26 -0.6560
21 H2O Ho E 20 6 4 0.967 109.241 -39.05 0.4090
LOOP
O5 C1
DONE
0XB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.682 98.802 -135.60 0.2480
5 H1 H2 E 4 3 2 1.091 72.415 -93.43 0.0000
6 O5 Os S 4 3 2 1.466 132.232 166.71 -0.4470
7 C5 Cg 3 6 4 3 1.482 115.196 148.40 0.3030
8 H5E H1 E 7 6 4 1.090 109.061 178.41 0.0000
9 H5A H1 E 7 6 4 1.092 109.076 -63.64 0.0000
10 C4 Cg 3 7 6 4 1.541 109.795 57.60 0.2860
11 H4 H1 E 10 7 6 1.091 109.061 67.02 0.0000
12 O4 Oh S 10 7 6 1.447 108.470 -174.60 -0.7230
13 H4O Ho E 12 10 7 0.966 107.383 173.28 0.4300
14 C3 Cg 3 10 7 6 1.546 111.571 -54.26 0.2280
15 H3 H1 E 14 10 7 1.092 109.010 -67.31 0.0000
16 O3 Oh S 14 10 7 1.458 108.945 174.50 -0.6820
17 H3O Ho E 16 14 10 0.967 108.169 -177.96 0.4270
18 C2 Cg B 14 10 7 1.547 111.370 53.00 0.4250
19 H2 H1 E 18 14 10 1.092 109.571 69.62 0.0000
20 O2 Oh S 18 14 10 1.452 108.733 -171.44 -0.6990
21 H2O Ho E 20 18 14 0.965 106.939 170.97 0.3980
LOOP
C2 C1
DONE
0XD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.757 98.427 -135.59 0.4280
5 H1 H1 E 4 3 2 1.090 154.297 167.70 0.0000
6 C2 Cg 3 4 3 2 1.636 88.449 18.82 0.2480
7 H2 H1 E 6 4 3 1.091 107.679 -173.80 0.0000
8 C3 Cg 3 6 4 3 1.634 106.860 -57.15 0.3020
9 H3 H1 E 8 6 4 1.091 108.695 100.33 0.0000
10 C4 Cg 3 8 6 4 1.626 107.473 -15.89 0.2370
11 H4 H1 E 10 8 6 1.090 108.401 126.25 0.0000
12 C5 Cg 3 10 8 6 1.543 116.861 -110.85 0.2800
13 H52 H1 E 12 10 8 1.090 109.111 -166.53 0.0000
14 H51 H1 E 12 10 8 1.090 111.083 -47.72 0.0000
15 O5 Oh S 12 10 8 1.441 110.629 74.51 -0.6780
16 H5O Ho E 15 12 10 0.962 107.911 53.44 0.4220
17 O4 Os E 10 8 6 1.593 104.822 10.20 -0.5070
18 O3 Oh S 8 6 4 1.447 111.050 -140.89 -0.7140
19 H3O Ho E 18 8 6 0.963 109.068 -54.84 0.4260
20 O2 Oh S 6 4 3 1.455 113.910 66.16 -0.6570
21 H2O Ho E 20 6 4 0.967 107.830 -15.92 0.4070
LOOP
O4 C1
DONE
0XU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.387 98.861 -135.83 0.3880
5 H1 H2 E 4 3 2 1.090 46.961 -113.71 0.0000
6 O4 Os S 4 3 2 1.557 141.976 -176.87 -0.4270
7 C4 Cg 3 6 4 3 1.585 113.491 160.80 0.1420
8 H4 H1 E 7 6 4 1.091 108.575 -119.30 0.0000
9 C5 Cg 3 7 6 4 1.541 109.761 121.74 0.2850
10 H52 H1 E 9 7 6 1.091 110.415 -59.53 0.0000
11 H51 H1 E 9 7 6 1.090 109.960 -179.16 0.0000
12 O5 Oh S 9 7 6 1.439 110.113 61.06 -0.6350
13 H5O Ho E 12 9 7 0.959 109.575 48.10 0.3960
14 C3 Cg 3 7 6 4 1.626 104.984 -3.27 0.2240
15 H3 H1 E 14 7 6 1.091 107.946 -110.07 0.0000
16 O3 Oh S 14 7 6 1.450 112.399 130.64 -0.6620
17 H3O Ho E 16 14 7 0.964 109.399 168.94 0.4120
18 C2 Cg B 14 7 6 1.636 107.660 8.09 0.3820
19 H2 H1 E 18 14 7 1.091 109.319 108.55 0.0000
20 O2 Oh S 18 14 7 1.454 110.186 -132.48 -0.7310
21 H2O Ho E 20 18 14 0.963 109.130 -172.15 0.4200
LOOP
C2 C1
DONE
0YA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.519 98.653 -135.65 0.4680
5 H1 H2 E 4 3 2 1.090 141.692 162.29 0.0000
6 C2 Cg 3 4 3 2 1.558 103.961 13.89 0.2450
7 H2 H1 E 6 4 3 1.092 106.853 -149.41 0.0000
8 C3 Cg 3 6 4 3 1.547 112.034 -31.73 0.1650
9 H3 H1 E 8 6 4 1.092 108.717 70.25 0.0000
10 C4 Cg 3 8 6 4 1.546 112.211 -50.71 0.3220
11 H4 H1 E 10 8 6 1.091 108.977 -70.26 0.0000
12 C5 Cg 3 10 8 6 1.544 112.523 51.74 0.2460
13 H5 H1 E 12 10 8 1.092 108.088 68.11 0.0000
14 C6 Cg 3 12 10 8 1.544 112.817 -173.43 0.3280
15 H62 H1 E 14 12 10 1.090 110.073 -62.63 0.0000
16 H61 H1 E 14 12 10 1.090 109.603 179.01 0.0000
17 O6 Oh S 14 12 10 1.444 111.701 58.39 -0.6880
18 H6O Ho E 17 14 12 0.960 109.460 179.56 0.4210
19 O5 Os E 12 10 8 1.500 111.305 -49.14 -0.5680
20 O4 Oh S 10 8 6 1.448 107.905 171.55 -0.7330
21 H4O Ho E 20 10 8 0.967 106.060 48.68 0.4490
22 O3 Oh S 8 6 4 1.457 109.988 -171.07 -0.6300
23 H3O Ho E 22 8 6 0.977 109.893 -12.80 0.4130
24 N2 Ng B 6 4 3 1.486 111.224 93.53 -0.5520
25 H2N H E 24 6 4 1.009 115.982 -30.97 0.2360
26 C2N C B 24 6 4 1.338 124.714 152.48 0.5880
27 CME Cg 3 26 24 6 1.544 117.110 -175.73 0.0630
28 H3M Hc E 27 26 24 1.092 111.363 2.06 0.0000
29 H2M Hc E 27 26 24 1.091 109.387 122.31 0.0000
30 H1M Hc E 27 26 24 1.090 109.379 -118.32 0.0000
31 O2N O E 26 24 6 1.228 121.379 4.88 -0.5790
LOOP
O5 C1
DONE
0YB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.493 98.498 -136.36 0.2870
5 H1 H2 E 4 3 2 1.091 71.450 -93.59 0.0000
6 O5 Os S 4 3 2 1.468 130.511 167.53 -0.4330
7 C5 Cg 3 6 4 3 1.493 115.188 144.42 0.2080
8 H5 H1 E 7 6 4 1.092 108.293 -60.80 0.0000
9 C6 Cg 3 7 6 4 1.540 109.520 -179.10 0.2890
10 H62 H1 E 9 7 6 1.091 110.298 -62.00 0.0000
11 H61 H1 E 9 7 6 1.090 110.526 178.17 0.0000
12 O6 Oh S 9 7 6 1.439 109.712 58.17 -0.6890
13 H6O Ho E 12 9 7 0.961 108.379 -54.80 0.4240
14 C4 Cg 3 7 6 4 1.542 108.679 57.57 0.3020
15 H4 H1 E 14 7 6 1.092 109.552 66.23 0.0000
16 O4 Oh S 14 7 6 1.444 108.611 -175.00 -0.7160
17 H4O Ho E 16 14 7 0.967 106.789 174.20 0.4360
18 C3 Cg 3 14 7 6 1.547 111.743 -55.34 0.1800
19 H3 H1 E 18 14 7 1.092 108.855 -63.61 0.0000
20 O3 Oh S 18 14 7 1.462 108.350 179.31 -0.6810
21 H3O Ho E 20 18 14 0.964 110.728 170.98 0.4230
22 C2 Cg B 18 14 7 1.555 110.847 55.82 0.4800
23 H2 H1 E 22 18 14 1.092 108.016 63.51 0.0000
24 N2 Ng B 22 18 14 1.484 110.897 -176.40 -0.7220
25 H2N H E 24 22 18 1.006 117.592 78.54 0.3000
26 C2N C B 24 22 18 1.336 123.143 -111.93 0.6480
27 O2N O E 26 24 22 1.226 122.116 6.61 -0.5760
28 CME Cg 3 26 24 22 1.542 116.434 -175.43 0.0340
29 H3M Hc E 28 26 24 1.092 110.630 37.74 0.0000
30 H2M Hc E 28 26 24 1.091 110.076 157.79 0.0000
31 H1M Hc E 28 26 24 1.091 109.335 -82.58 0.0000
LOOP
C2 C1
DONE
0ZA INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.420 99.000 -130.34 0.3980
5 H1 H2 E 4 3 2 1.090 21.912 102.13 0.0000
6 C2 Cg 3 4 3 2 1.551 109.472 7.93 0.3260
7 H2 H1 E 6 4 3 1.091 107.487 74.75 0.0000
8 C3 Cg 3 6 4 3 1.547 112.398 -166.09 0.3000
9 H3 H1 E 8 6 4 1.092 108.680 71.61 0.0000
10 C4 Cg 3 8 6 4 1.555 112.948 -49.44 0.1930
11 H4 H1 E 10 8 6 1.091 109.268 -72.54 0.0000
12 C5 Cg 3 10 8 6 1.550 113.190 48.46 0.1870
13 H5 H1 E 12 10 8 1.092 106.693 67.16 0.0000
14 C6 C B 12 10 8 1.597 111.674 -179.86 0.7980
15 O6A O2 E 14 12 10 1.259 117.589 -37.92 -0.7870
16 O6B O2 E 14 12 10 1.252 118.424 145.06 -0.7870
17 O5 Os E 12 10 8 1.515 110.155 -47.11 -0.5440
18 O4 Oh S 10 8 6 1.452 109.657 168.36 -0.6820
19 H4O Ho E 18 10 8 0.983 105.869 -171.10 0.4220
20 O3 Oh S 8 6 4 1.458 107.208 -171.22 -0.7430
21 H3O Ho E 20 8 6 0.962 107.044 -49.33 0.4390
22 O2 Oh S 6 4 3 1.467 110.139 -42.45 -0.7320
23 H2O Ho E 22 6 4 0.965 107.076 -40.93 0.4060
LOOP
O5 C1
DONE
0ZB INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.413 98.374 -136.24 0.2510
5 H1 H2 E 4 3 2 1.091 70.111 -94.11 0.0000
6 O5 Os S 4 3 2 1.460 133.490 168.28 -0.4130
7 C5 Cg 3 6 4 3 1.502 116.304 144.38 0.0750
8 H5 H1 E 7 6 4 1.092 106.868 -58.62 0.0000
9 C6 C B 7 6 4 1.584 116.788 -176.23 0.8930
10 O6B O2 E 9 7 6 1.258 117.333 -166.06 -0.8180
11 O6A O2 E 9 7 6 1.252 118.262 15.31 -0.8180
12 C4 Cg 3 7 6 4 1.542 108.303 57.48 0.2670
13 H4 H1 E 12 7 6 1.092 108.248 69.44 0.0000
14 O4 Oh S 12 7 6 1.449 108.907 -172.84 -0.7330
15 H4O Ho E 14 12 7 0.987 105.292 -42.75 0.4290
16 C3 Cg 3 12 7 6 1.552 113.280 -51.87 0.2660
17 H3 H1 E 16 12 7 1.092 108.760 -69.98 0.0000
18 O3 Oh S 16 12 7 1.459 107.412 172.72 -0.7010
19 H3O Ho E 18 16 12 0.966 105.666 48.32 0.4030
20 C2 Cg B 16 12 7 1.551 112.291 50.40 0.4110
21 H2 H1 E 20 16 12 1.092 109.200 71.99 0.0000
22 O2 Oh S 20 16 12 1.458 111.055 -168.01 -0.7400
23 H2O Ho E 22 20 16 0.962 106.072 172.93 0.4220
LOOP
C2 C1
DONE
0aA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.188 125.377 -138.64 0.4480
5 H1 H2 E 4 3 2 1.091 32.906 146.73 0.0000
6 O5 Os S 4 3 2 1.484 133.629 99.38 -0.5640
7 C5 Cg 3 6 4 3 1.479 117.874 -165.14 0.3790
8 H5A H1 E 7 6 4 1.091 109.412 64.62 0.0000
9 H5E H1 E 7 6 4 1.090 109.141 -176.99 0.0000
10 C4 Cg 3 7 6 4 1.532 108.551 -56.56 0.2450
11 H4 H1 E 10 7 6 1.091 108.287 -64.52 0.0000
12 O4 Oh S 10 7 6 1.437 109.023 178.50 -0.7480
13 H4O Ho E 12 10 7 0.960 109.412 -63.47 0.4340
14 C3 Cg 3 10 7 6 1.543 112.944 55.64 0.3350
15 H3 H1 E 14 10 7 1.091 109.892 -174.01 0.0000
16 O3 Oh S 14 10 7 1.441 110.011 67.03 -0.7720
17 H3O Ho E 16 14 10 0.960 109.473 179.30 0.4610
18 C2 Cg B 14 10 7 1.543 111.532 -51.47 0.2680
19 H2 H1 E 18 14 10 1.092 109.910 169.41 0.0000
20 O2 Oh S 18 14 10 1.437 107.286 -74.11 -0.7350
21 H2O Ho E 20 18 14 0.960 109.480 -58.08 0.4430
LOOP
C2 C1
DONE
0aB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.197 114.912 -133.16 0.3790
5 H1 H2 E 4 3 2 1.091 60.190 -69.03 0.0000
6 C2 Cg 3 4 3 2 1.563 137.254 -156.94 0.3000
7 H2 H1 E 6 4 3 1.091 109.469 14.39 0.0000
8 C3 Cg 3 6 4 3 1.543 109.402 134.96 0.2970
9 H3 H1 E 8 6 4 1.091 109.527 174.23 0.0000
10 C4 Cg 3 8 6 4 1.551 111.469 53.21 0.2240
11 H4 H1 E 10 8 6 1.091 108.923 64.26 0.0000
12 C5 Cg 3 10 8 6 1.546 111.087 -54.81 0.3560
13 H5A H1 E 12 10 8 1.091 110.570 -66.53 0.0000
14 H5E H1 E 12 10 8 1.090 109.958 174.33 0.0000
15 O5 Os E 12 10 8 1.485 110.184 54.27 -0.5290
16 O4 Oh S 10 8 6 1.458 110.429 -177.71 -0.7300
17 H4O Ho E 16 10 8 0.964 110.010 -85.04 0.4400
18 O3 Oh S 8 6 4 1.454 108.942 -67.85 -0.6680
19 H3O Ho E 18 8 6 0.966 107.607 169.51 0.4070
20 O2 Oh S 6 4 3 1.460 111.691 -105.49 -0.7000
21 H2O Ho E 20 6 4 0.965 107.206 46.97 0.4180
LOOP
O5 C1
DONE
0aD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.368 114.897 -133.01 0.3680
5 H1 H2 E 4 3 2 1.090 119.976 17.53 0.0000
6 O4 Os S 4 3 2 1.561 59.259 -79.14 -0.4530
7 C4 Cg 3 6 4 3 1.585 113.130 -121.92 0.1470
8 H4 H1 E 7 6 4 1.091 108.094 110.87 0.0000
9 C5 Cg 3 7 6 4 1.531 111.011 -129.51 0.3380
10 H51 H1 E 9 7 6 1.090 110.161 -65.64 0.0000
11 H52 H1 E 9 7 6 1.090 110.286 174.71 0.0000
12 O5 Oh S 9 7 6 1.438 109.271 54.27 -0.6960
13 H5O Ho E 12 9 7 0.963 107.879 -70.16 0.3990
14 C3 Cg 3 7 6 4 1.617 105.385 -6.71 0.3700
15 H3 H1 E 14 7 6 1.091 110.266 -112.89 0.0000
16 O3 Oh S 14 7 6 1.445 109.680 127.75 -0.7030
17 H3O Ho E 16 14 7 0.962 109.189 179.20 0.4040
18 C2 Cg B 14 7 6 1.638 107.830 6.88 0.2780
19 H2 H1 E 18 14 7 1.092 109.588 114.25 0.0000
20 O2 Oh S 18 14 7 1.459 110.296 -126.81 -0.6880
21 H2O Ho E 20 18 14 0.962 111.196 67.05 0.4300
LOOP
C2 C1
DONE
0aU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.454 114.767 -133.16 0.4770
5 H1 H2 E 4 3 2 1.090 87.975 -58.14 0.0000
6 C2 Cg 3 4 3 2 1.636 130.777 -176.24 0.3280
7 H2 H1 E 6 4 3 1.091 107.572 122.70 0.0000
8 C3 Cg 3 6 4 3 1.636 107.243 -120.25 0.2150
9 H3 H1 E 8 6 4 1.091 109.548 106.72 0.0000
10 C4 Cg 3 8 6 4 1.623 107.636 -12.21 0.3270
11 H4 H1 E 10 8 6 1.091 110.021 -108.06 0.0000
12 C5 Cg 3 10 8 6 1.536 113.561 128.49 0.2270
13 H51 H1 E 12 10 8 1.090 110.273 60.89 0.0000
14 H52 H1 E 12 10 8 1.090 110.003 -58.63 0.0000
15 O5 Oh S 12 10 8 1.440 109.976 -178.69 -0.6500
16 H5O Ho E 15 12 10 0.963 109.100 48.75 0.3970
17 O4 Os E 10 8 6 1.592 104.988 8.35 -0.5320
18 O3 Oh S 8 6 4 1.449 110.684 -133.44 -0.7280
19 H3O Ho E 18 8 6 0.965 109.557 -66.15 0.4370
20 O2 Oh S 6 4 3 1.456 114.449 2.64 -0.7210
21 H2O Ho E 20 6 4 0.967 108.079 -13.83 0.4170
LOOP
O4 C1
DONE
0bA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.597 116.875 -129.05 0.1300
5 O6 Os S 4 3 2 1.483 117.931 41.66 -0.5070
6 C6 Cg 3 5 4 3 1.491 117.309 -140.69 0.3410
7 H6A H1 E 6 5 4 1.091 108.839 69.58 0.0000
8 H6E H1 E 6 5 4 1.090 108.907 -173.08 0.0000
9 C5 Cg 3 6 5 4 1.544 111.103 -51.77 0.2240
10 H5 H1 E 9 6 5 1.091 108.357 -70.02 0.0000
11 O5 Oh S 9 6 5 1.455 108.467 172.51 -0.6900
12 H5O Ho E 11 9 6 0.963 109.307 159.42 0.4290
13 C4 Cg 3 9 6 5 1.550 111.673 50.56 0.3350
14 H4 H1 E 13 9 6 1.092 110.207 65.56 0.0000
15 O4 Oh S 13 9 6 1.461 109.228 -175.33 -0.7240
16 H4O Ho E 15 13 9 0.964 108.580 -89.49 0.4210
17 C3 Cg B 13 9 6 1.548 109.394 -55.39 0.3720
18 H3 H1 E 17 13 9 1.092 107.364 -59.65 0.0000
19 O3 Oh S 17 13 9 1.456 111.878 -176.69 -0.7160
20 H3O Ho E 19 17 13 0.964 107.033 43.80 0.4300
21 C1 Cg 3 4 3 2 1.560 38.289 130.05 0.4280
22 H11 H1 E 21 4 3 1.090 109.813 -63.29 0.0000
23 H12 H1 E 21 4 3 1.091 110.098 55.13 0.0000
24 O1 Oh S 21 4 3 1.443 112.003 175.62 -0.6780
25 H1O Ho E 24 21 4 0.961 107.457 -73.22 0.3990
LOOP
C3 C2
DONE
0bB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.272 115.141 -133.35 0.2270
5 C1 Cg 3 4 3 2 1.563 58.191 -68.63 0.2810
6 H11 H1 E 5 4 3 1.090 110.121 173.79 0.0000
7 H12 H1 E 5 4 3 1.091 110.325 -67.50 0.0000
8 O1 Oh S 5 4 3 1.444 111.743 53.37 -0.6260
9 H1O Ho E 8 5 4 0.960 109.452 -179.75 0.3950
10 C3 Cg 3 4 3 2 1.564 137.751 -159.39 0.4640
11 H3 H1 E 10 4 3 1.092 108.642 -99.82 0.0000
12 C4 Cg 3 10 4 3 1.550 112.585 140.12 0.1080
13 H4 H1 E 12 10 4 1.092 109.044 -68.01 0.0000
14 C5 Cg 3 12 10 4 1.545 110.670 52.19 0.3400
15 H5 H1 E 14 12 10 1.091 109.543 69.26 0.0000
16 C6 Cg 3 14 12 10 1.543 112.662 -52.18 0.3110
17 H6A H1 E 16 14 12 1.091 110.545 -68.04 0.0000
18 H6E H1 E 16 14 12 1.090 110.160 172.58 0.0000
19 O6 Os E 16 14 12 1.485 109.751 52.43 -0.4770
20 O5 Oh S 14 12 10 1.444 107.942 -172.32 -0.7200
21 H5O Ho E 20 14 12 0.966 106.322 -48.08 0.4290
22 O4 Oh S 12 10 4 1.460 110.433 173.08 -0.6750
23 H4O Ho E 22 12 10 0.968 108.634 54.62 0.4350
24 O3 Oh S 10 4 3 1.453 110.350 18.53 -0.7300
25 H3O Ho E 24 10 4 0.965 106.403 -56.73 0.4320
LOOP
O6 C2
DONE
0bC INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.219 114.902 -133.41 0.3130
5 H1 H2 E 4 3 2 1.091 63.376 -66.80 0.0000
6 O5 Os S 4 3 2 1.462 111.147 34.64 -0.4890
7 C5 Cg 3 6 4 3 1.484 116.049 -131.39 0.1410
8 H5 H1 E 7 6 4 1.092 107.980 64.45 0.0000
9 C6 Cg 3 7 6 4 1.529 106.426 -179.26 0.0540
10 H61 H1 E 9 7 6 1.090 110.595 -174.86 0.0000
11 H62 H1 E 9 7 6 1.091 110.671 64.80 0.0000
12 H63 H1 E 9 7 6 1.090 110.350 -55.32 0.0000
13 C4 Cg 3 7 6 4 1.553 110.731 -54.91 0.5790
14 H4 H1 E 13 7 6 1.092 108.444 -68.36 0.0000
15 N4 Ng B 13 7 6 1.482 109.943 171.30 -0.8840
16 H4N H E 15 13 7 1.005 118.374 -75.81 0.3270
17 C4N C B 15 13 7 1.334 122.717 99.60 0.7200
18 O4N O E 17 15 13 1.221 121.166 0.20 -0.6220
19 C4M Cg 3 17 15 13 1.542 116.539 -179.84 0.0380
20 H41 Hc E 19 17 15 1.091 110.231 176.59 0.0000
21 H42 Hc E 19 17 15 1.091 109.889 56.66 0.0000
22 H43 Hc E 19 17 15 1.091 109.727 -63.50 0.0000
23 C3 Cg 3 13 7 6 1.557 111.334 49.92 0.1960
24 H3 H1 E 23 13 7 1.092 107.756 66.07 0.0000
25 O3 Oh S 23 13 7 1.467 111.072 -176.91 -0.7170
26 H3O Ho E 25 23 13 0.964 111.363 -40.58 0.4520
27 C2 Cg B 23 13 7 1.553 111.958 -52.25 0.3540
28 H2 H1 E 27 23 13 1.092 108.181 -62.79 0.0000
29 N2 Ng B 27 23 13 1.482 111.059 177.26 -0.6460
30 H2N H E 29 27 23 1.005 117.749 -74.11 0.2870
31 C2N C B 29 27 23 1.339 123.653 106.02 0.5290
32 O2N O E 31 29 27 1.228 122.945 2.35 -0.5160
33 C2M Cg 3 31 29 27 1.543 115.754 -177.65 0.0780
34 H21 Hc E 33 31 29 1.091 110.260 171.03 0.0000
35 H22 Hc E 33 31 29 1.091 110.049 51.17 0.0000
36 H23 Hc E 33 31 29 1.091 109.662 -69.03 0.0000
LOOP
C2 C1
DONE
0bD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410
5 O5 Os S 4 3 2 1.565 96.957 71.60 -0.4520
6 C5 Cg 3 5 4 3 1.587 113.494 153.37 0.2710
7 H5 H1 E 6 5 4 1.091 109.010 115.27 0.0000
8 C6 Cg 3 6 5 4 1.543 109.502 -125.08 0.2810
9 H61 H1 E 8 6 5 1.090 110.249 169.67 0.0000
10 H62 H1 E 8 6 5 1.091 109.980 50.42 0.0000
11 O6 Oh S 8 6 5 1.443 110.886 -70.57 -0.6790
12 H6O Ho E 11 8 6 0.959 110.164 -69.40 0.4110
13 C4 Cg 3 6 5 4 1.626 104.732 -0.82 0.2250
14 H4 H1 E 13 6 5 1.091 107.421 106.22 0.0000
15 O4 Oh S 13 6 5 1.457 113.168 -134.63 -0.7100
16 H4O Ho E 15 13 6 0.965 109.577 -164.20 0.4350
17 C3 Cg B 13 6 5 1.636 107.413 -10.45 0.4400
18 H3 H1 E 17 13 6 1.090 107.628 -98.64 0.0000
19 O3 Oh S 17 13 6 1.453 110.696 144.44 -0.7320
20 H3O Ho E 19 17 13 0.959 109.052 117.13 0.4040
21 C1 Cg 3 4 3 2 1.546 22.070 -155.25 0.3130
22 H11 H1 E 21 4 3 1.091 109.856 0.87 0.0000
23 H12 H1 E 21 4 3 1.090 110.325 119.99 0.0000
24 O1 Oh S 21 4 3 1.443 110.871 -119.49 -0.6680
25 H1O Ho E 24 21 4 0.961 109.037 163.85 0.4140
LOOP
C3 C2
DONE
0bU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470
5 C1 Cg 3 4 3 2 1.553 43.383 -64.68 0.2990
6 H11 H1 E 5 4 3 1.091 109.538 173.60 0.0000
7 H12 H1 E 5 4 3 1.091 110.361 -67.58 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 53.50 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 172.60 0.3820
10 C3 Cg 3 4 3 2 1.635 135.193 -142.32 0.3820
11 H3 H1 E 10 4 3 1.091 108.980 -85.98 0.0000
12 C4 Cg 3 10 4 3 1.637 107.249 157.15 0.2830
13 H4 H1 E 12 10 4 1.091 108.865 -102.82 0.0000
14 C5 Cg 3 12 10 4 1.624 107.577 13.45 0.2100
15 H5 H1 E 14 12 10 1.091 108.969 -127.62 0.0000
16 C6 Cg 3 14 12 10 1.541 114.994 109.54 0.3320
17 H61 H1 E 16 14 12 1.090 109.861 59.82 0.0000
18 H62 H1 E 16 14 12 1.090 110.302 -59.54 0.0000
19 O6 Oh S 16 14 12 1.442 110.695 179.56 -0.7010
20 H6O Ho E 19 16 14 0.959 110.169 -52.94 0.4090
21 O5 Os E 14 12 10 1.582 104.801 -11.31 -0.3850
22 O4 Oh S 12 10 4 1.453 111.864 137.73 -0.7550
23 H4O Ho E 22 12 10 0.964 109.402 67.17 0.4340
24 O3 Oh S 10 4 3 1.455 113.678 34.22 -0.7420
25 H3O Ho E 24 10 4 0.963 108.479 -78.45 0.4260
LOOP
O5 C2
DONE
0cA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.586 116.969 -129.11 0.3450
5 O6 Os S 4 3 2 1.483 117.808 35.58 -0.6200
6 C6 Cg 3 5 4 3 1.483 118.572 -140.03 0.4370
7 H6A H1 E 6 5 4 1.091 109.541 67.42 0.0000
8 H6E H1 E 6 5 4 1.090 108.752 -174.83 0.0000
9 C5 Cg 3 6 5 4 1.538 109.646 -54.60 0.1950
10 H5 H1 E 9 6 5 1.091 108.701 -59.59 0.0000
11 O5 Oh S 9 6 5 1.462 111.474 -178.00 -0.7090
12 H5O Ho E 11 9 6 0.964 110.741 83.12 0.4150
13 C4 Cg 3 9 6 5 1.544 109.577 58.96 0.3670
14 H4 H1 E 13 9 6 1.091 108.427 -177.56 0.0000
15 O4 Oh S 13 9 6 1.450 110.035 65.74 -0.7200
16 H4O Ho E 15 13 9 0.965 107.347 50.59 0.3940
17 C3 Cg B 13 9 6 1.551 112.343 -57.29 0.2470
18 H3 H1 E 17 13 9 1.092 108.943 168.11 0.0000
19 O3 Oh S 17 13 9 1.466 107.388 -76.78 -0.6550
20 H3O Ho E 19 17 13 0.965 109.737 -75.75 0.4060
21 C1 Cg 3 4 3 2 1.567 44.165 126.75 0.3860
22 H11 H1 E 21 4 3 1.091 110.132 -50.25 0.0000
23 H12 H1 E 21 4 3 1.091 109.446 67.92 0.0000
24 O1 Oh S 21 4 3 1.446 112.801 -171.35 -0.6960
25 H1O Ho E 24 21 4 0.968 106.626 -39.29 0.4020
LOOP
C3 C2
DONE
0cB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.348 115.227 -133.37 0.2440
5 C1 Cg 3 4 3 2 1.563 56.302 -67.37 0.2970
6 H11 H1 E 5 4 3 1.088 110.800 167.68 0.0000
7 H12 H1 E 5 4 3 1.091 110.065 -73.30 0.0000
8 O1 Oh S 5 4 3 1.447 111.733 47.62 -0.6690
9 H1O Ho E 8 5 4 0.961 109.456 178.60 0.4010
10 C3 Cg 3 4 3 2 1.569 136.938 -155.77 0.3170
11 H3 H1 E 10 4 3 1.091 109.321 19.65 0.0000
12 C4 Cg 3 10 4 3 1.551 113.143 142.19 0.3440
13 H4 H1 E 12 10 4 1.091 109.341 168.38 0.0000
14 C5 Cg 3 12 10 4 1.549 111.995 47.93 0.1950
15 H5 H1 E 14 12 10 1.091 108.324 67.05 0.0000
16 C6 Cg 3 14 12 10 1.539 112.024 -51.70 0.3650
17 H6A H1 E 16 14 12 1.091 110.698 -66.37 0.0000
18 H6E H1 E 16 14 12 1.090 110.083 174.22 0.0000
19 O6 Os E 16 14 12 1.482 109.460 54.46 -0.4600
20 O5 Oh S 14 12 10 1.457 110.756 -175.28 -0.6840
21 H5O Ho E 20 14 12 0.965 109.084 44.29 0.4150
22 O4 Oh S 12 10 4 1.459 109.536 -74.38 -0.6980
23 H4O Ho E 22 12 10 0.964 108.929 -91.80 0.4170
24 O3 Oh S 10 4 3 1.453 110.172 -98.32 -0.6970
25 H3O Ho E 24 10 4 0.968 105.774 30.26 0.4070
LOOP
O6 C2
DONE
0cD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840
5 O5 Os S 4 3 2 1.564 97.899 67.10 -0.4980
6 C5 Cg 3 5 4 3 1.584 113.350 147.62 0.3090
7 H5 H1 E 6 5 4 1.092 109.375 118.93 0.0000
8 C6 Cg 3 6 5 4 1.538 110.489 -119.98 0.2650
9 H61 H1 E 8 6 5 1.090 109.956 165.98 0.0000
10 H62 H1 E 8 6 5 1.091 109.952 47.12 0.0000
11 O6 Oh S 8 6 5 1.442 111.246 -74.00 -0.6640
12 H6O Ho E 11 8 6 0.960 110.855 -67.48 0.4120
13 C4 Cg 3 6 5 4 1.621 104.926 0.33 0.3320
14 H4 H1 E 13 6 5 1.091 111.196 -131.00 0.0000
15 O4 Oh S 13 6 5 1.453 109.530 109.63 -0.7840
16 H4O Ho E 15 13 6 0.965 110.375 -68.04 0.4440
17 C3 Cg B 13 6 5 1.638 107.987 -8.85 0.2820
18 H3 H1 E 17 13 6 1.091 111.251 134.95 0.0000
19 O3 Oh S 17 13 6 1.460 108.216 -106.61 -0.7160
20 H3O Ho E 19 17 13 0.965 109.355 -77.40 0.4320
21 C1 Cg 3 4 3 2 1.556 17.540 -147.50 0.3700
22 H11 H1 E 21 4 3 1.091 110.210 18.90 0.0000
23 H12 H1 E 21 4 3 1.091 109.651 137.75 0.0000
24 O1 Oh S 21 4 3 1.441 111.328 -102.08 -0.6880
25 H1O Ho E 24 21 4 0.970 106.366 -49.38 0.4140
LOOP
C3 C2
DONE
0cU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390
5 C1 Cg 3 4 3 2 1.537 53.448 -6.93 0.2870
6 H11 H1 E 5 4 3 1.091 109.952 -154.15 0.0000
7 H12 H1 E 5 4 3 1.091 110.638 -34.86 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 86.15 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 179.97 0.4010
10 C3 Cg 3 4 3 2 1.636 113.047 -107.26 0.3330
11 H3 H1 E 10 4 3 1.091 111.948 41.20 0.0000
12 C4 Cg 3 10 4 3 1.624 107.103 164.76 0.2930
13 H4 H1 E 12 10 4 1.092 112.868 136.79 0.0000
14 C5 Cg 3 12 10 4 1.622 107.882 12.29 0.3100
15 H5 H1 E 14 12 10 1.092 110.981 -127.12 0.0000
16 C6 Cg 3 14 12 10 1.529 112.711 109.36 0.2720
17 H61 H1 E 16 14 12 1.090 110.315 59.90 0.0000
18 H62 H1 E 16 14 12 1.091 110.618 -60.32 0.0000
19 O6 Oh S 16 14 12 1.433 108.667 179.51 -0.6520
20 H6O Ho E 19 16 14 0.960 109.494 -59.32 0.3970
21 O5 Os E 14 12 10 1.577 105.503 -8.77 -0.4490
22 O4 Oh S 12 10 4 1.434 107.032 -103.41 -0.7630
23 H4O Ho E 22 12 10 0.960 109.480 178.44 0.4310
24 O3 Oh S 10 4 3 1.439 111.311 -80.89 -0.6910
25 H3O Ho E 24 10 4 0.960 109.418 61.51 0.4100
LOOP
O5 C2
DONE
0dA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.386 115.065 -132.97 0.3980
5 H1 H2 E 4 3 2 1.090 122.721 39.39 0.0000
6 O5 Os S 4 3 2 1.470 69.754 -59.92 -0.4870
7 C5 Cg 3 6 4 3 1.490 117.560 -72.03 0.2750
8 H5A H1 E 7 6 4 1.092 108.478 71.52 0.0000
9 H5E H1 E 7 6 4 1.090 108.927 -171.44 0.0000
10 C4 Cg 3 7 6 4 1.543 111.684 -49.69 0.3510
11 H4 H1 E 10 7 6 1.091 109.854 -69.03 0.0000
12 O4 Oh S 10 7 6 1.447 108.472 171.92 -0.7110
13 H4O Ho E 12 10 7 0.966 106.152 -168.99 0.4220
14 C3 Cg 3 10 7 6 1.545 110.247 52.70 0.1840
15 H3 H1 E 14 10 7 1.091 108.583 60.91 0.0000
16 O3 Oh S 14 10 7 1.459 110.859 178.21 -0.6550
17 H3O Ho E 16 14 10 0.962 110.146 169.76 0.4170
18 C2 Cg B 14 10 7 1.549 111.008 -57.45 0.2460
19 H2 H1 E 18 14 10 1.091 109.256 175.96 0.0000
20 O2 Oh S 18 14 10 1.458 110.247 -65.62 -0.6780
21 H2O Ho E 20 18 14 0.962 110.757 -168.88 0.4320
LOOP
C2 C1
DONE
0dB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.553 116.316 -128.93 0.4480
5 H1 H2 E 4 3 2 1.091 113.723 25.37 0.0000
6 C2 Cg 3 4 3 2 1.543 134.009 -175.87 0.2260
7 H2 H1 E 6 4 3 1.091 110.247 141.57 0.0000
8 C3 Cg 3 6 4 3 1.543 109.102 -97.36 0.2010
9 H3 H1 E 8 6 4 1.092 108.078 -65.99 0.0000
10 C4 Cg 3 8 6 4 1.543 112.432 54.46 0.3350
11 H4 H1 E 10 8 6 1.091 110.326 70.31 0.0000
12 C5 Cg 3 10 8 6 1.539 111.797 -51.79 0.2750
13 H5A H1 E 12 10 8 1.092 110.541 -69.74 0.0000
14 H5E H1 E 12 10 8 1.090 110.214 170.80 0.0000
15 O5 Os E 12 10 8 1.480 110.071 50.34 -0.5190
16 O4 Oh S 10 8 6 1.436 108.765 -169.83 -0.7090
17 H4O Ho E 16 10 8 0.960 109.449 -59.99 0.4360
18 O3 Oh S 8 6 4 1.440 109.342 176.73 -0.7010
19 H3O Ho E 18 8 6 0.960 109.476 177.81 0.4320
20 O2 Oh S 6 4 3 1.446 108.761 21.88 -0.6450
21 H2O Ho E 20 6 4 0.960 109.425 59.50 0.4150
LOOP
O5 C1
DONE
0dD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.268 115.026 -133.11 0.3800
5 H1 H1 E 4 3 2 1.090 114.859 26.91 0.0000
6 O4 Os S 4 3 2 1.562 69.561 -75.86 -0.4230
7 C4 Cg 3 6 4 3 1.588 112.912 -129.70 0.1890
8 H4 H1 E 7 6 4 1.091 107.600 104.77 0.0000
9 C5 Cg 3 7 6 4 1.537 110.486 -136.68 0.3050
10 H51 H1 E 9 7 6 1.090 110.600 57.42 0.0000
11 H52 H1 E 9 7 6 1.090 110.349 177.71 0.0000
12 O5 Oh S 9 7 6 1.438 108.908 -62.47 -0.6970
13 H5O Ho E 12 9 7 0.962 108.141 56.44 0.4140
14 C3 Cg 3 7 6 4 1.624 104.960 -9.27 0.2980
15 H3 H1 E 14 7 6 1.090 111.418 136.70 0.0000
16 O3 Oh S 14 7 6 1.446 109.315 -102.58 -0.6780
17 H3O Ho E 16 14 7 0.969 106.468 140.77 0.4170
18 C2 Cg B 14 7 6 1.641 106.916 15.19 0.2290
19 H2 H1 E 18 14 7 1.091 107.286 100.85 0.0000
20 O2 Oh S 18 14 7 1.459 112.998 -140.55 -0.6510
21 H2O Ho E 20 18 14 0.964 109.258 -171.53 0.4110
LOOP
C2 C1
DONE
0dU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.298 115.109 -132.95 0.4360
5 H1 H2 E 4 3 2 1.090 33.811 -66.58 0.0000
6 C2 Cg 3 4 3 2 1.640 133.355 -123.59 0.2840
7 H2 H1 E 6 4 3 1.089 110.427 15.83 0.0000
8 C3 Cg 3 6 4 3 1.642 106.290 136.04 0.3000
9 H3 H1 E 8 6 4 1.091 107.886 -101.19 0.0000
10 C4 Cg 3 8 6 4 1.620 107.806 14.92 0.1350
11 H4 H1 E 10 8 6 1.091 108.974 -127.93 0.0000
12 C5 Cg 3 10 8 6 1.542 114.725 109.52 0.3730
13 H51 H1 E 12 10 8 1.090 109.887 61.57 0.0000
14 H52 H1 E 12 10 8 1.091 110.456 -58.00 0.0000
15 O5 Oh S 12 10 8 1.439 110.322 -178.69 -0.7250
16 H5O Ho E 15 12 10 0.959 109.321 -36.11 0.4180
17 O4 Os E 10 8 6 1.588 104.668 -11.75 -0.5170
18 O3 Oh S 8 6 4 1.446 112.188 139.89 -0.6420
19 H3O Ho E 18 8 6 0.970 106.239 -9.38 0.4050
20 O2 Oh S 6 4 3 1.464 111.148 -105.13 -0.6800
21 H2O Ho E 20 6 4 0.969 107.470 22.02 0.4070
LOOP
O4 C1
DONE
0eA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os S 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg 3 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Oh S 9 7 6 1.434 108.916 -64.43 -0.6630
13 H6O Ho E 12 9 7 0.960 109.470 -59.69 0.4060
14 C4 Cg 3 7 6 4 1.541 107.816 -56.28 0.2610
15 H4 H1 E 14 7 6 1.091 108.456 -65.22 0.0000
16 O4 Oh S 14 7 6 1.439 109.886 177.28 -0.7210
17 H4O Ho E 16 14 7 0.960 109.412 -63.34 0.4150
18 C3 Cg 3 14 7 6 1.544 113.133 54.81 0.3280
19 H3 H1 E 18 14 7 1.091 109.843 -174.05 0.0000
20 O3 Oh S 18 14 7 1.442 110.012 67.08 -0.7140
21 H3O Ho E 20 18 14 0.960 109.461 179.72 0.4200
22 C2 Cg B 18 14 7 1.541 111.809 -51.50 0.1790
23 H2 H1 E 22 18 14 1.092 109.967 169.74 0.0000
24 O2 Oh S 22 18 14 1.437 107.327 -73.67 -0.6900
25 H2O Ho E 24 22 18 0.960 109.486 -178.36 0.4470
LOOP
C2 C1
DONE
0eB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg 3 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 C3 Cg 3 6 4 3 1.540 108.887 135.69 0.3150
9 H3 H1 E 8 6 4 1.091 109.473 176.26 0.0000
10 C4 Cg 3 8 6 4 1.554 111.264 55.47 0.3200
11 H4 H1 E 10 8 6 1.091 108.716 63.72 0.0000
12 C5 Cg 3 10 8 6 1.549 111.196 -55.77 0.2570
13 H5 H1 E 12 10 8 1.092 109.111 -65.44 0.0000
14 C6 Cg 3 12 10 8 1.541 112.018 174.42 0.2780
15 H61 H1 E 14 12 10 1.090 110.614 60.34 0.0000
16 H62 H1 E 14 12 10 1.091 110.136 -59.38 0.0000
17 O6 Oh S 14 12 10 1.439 109.977 -179.42 -0.6770
18 H6O Ho E 17 14 12 0.962 108.042 50.79 0.4080
19 O5 Os E 12 10 8 1.501 109.730 53.07 -0.5320
20 O4 Oh S 10 8 6 1.457 110.079 -178.65 -0.7240
21 H4O Ho E 20 10 8 0.964 110.039 -78.83 0.4200
22 O3 Oh S 8 6 4 1.454 108.210 -66.23 -0.6810
23 H3O Ho E 22 8 6 0.965 108.397 172.17 0.4030
24 O2 Oh S 6 4 3 1.463 112.571 -104.80 -0.6970
25 H2O Ho E 24 6 4 0.966 108.305 55.11 0.4320
LOOP
O5 C1
DONE
0fA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.290 114.938 -133.05 0.3990
5 H1 H2 E 4 3 2 1.090 120.789 32.75 0.0000
6 O5 Os S 4 3 2 1.472 68.244 -66.42 -0.4940
7 C5 Cg 3 6 4 3 1.495 116.875 -70.92 0.1870
8 H5 H1 E 7 6 4 1.091 107.622 67.25 0.0000
9 C6 Cg 3 7 6 4 1.531 107.907 -177.50 0.0650
10 H61 Hc E 9 7 6 1.091 112.013 60.69 0.0000
11 H62 Hc E 9 7 6 1.091 111.136 -59.35 0.0000
12 H63 Hc E 9 7 6 1.090 111.280 -178.78 0.0000
13 C4 Cg 3 7 6 4 1.554 111.650 -50.04 0.2630
14 H4 H1 E 13 7 6 1.091 108.736 170.14 0.0000
15 O4 Oh S 13 7 6 1.452 110.366 -71.52 -0.7390
16 H4O Ho E 15 13 7 0.966 107.152 175.93 0.4470
17 C3 Cg 3 13 7 6 1.549 111.442 50.00 0.2280
18 H3 H1 E 17 13 7 1.091 108.535 63.68 0.0000
19 O3 Oh S 17 13 7 1.464 109.243 -179.40 -0.6930
20 H3O Ho E 19 17 13 0.965 108.720 -158.83 0.4260
21 C2 Cg B 17 13 7 1.550 109.944 -55.77 0.4560
22 H2 H1 E 21 17 13 1.091 109.004 -59.37 0.0000
23 O2 Oh S 21 17 13 1.463 111.178 -176.89 -0.8040
24 H2O Ho E 23 21 17 0.961 108.560 80.99 0.4530
LOOP
C2 C1
DONE
0fB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.094 122.532 -140.40 0.4180
5 H1 H2 E 4 3 2 1.091 73.877 -8.00 0.0000
6 C2 Cg 3 4 3 2 1.545 109.309 -114.38 0.3460
7 H2 H1 E 6 4 3 1.092 110.063 -86.50 0.0000
8 C3 Cg 3 6 4 3 1.542 111.933 150.88 0.2550
9 H3 H1 E 8 6 4 1.092 108.986 -69.25 0.0000
10 C4 Cg 3 8 6 4 1.542 112.898 50.54 0.2290
11 H4 H1 E 10 8 6 1.091 109.948 -175.33 0.0000
12 C5 Cg 3 10 8 6 1.543 109.625 -54.44 0.1060
13 H5 H1 E 12 10 8 1.092 108.258 -61.07 0.0000
14 C6 Cg 3 12 10 8 1.531 115.663 178.40 0.0920
15 H61 Hc E 14 12 10 1.091 111.160 177.14 0.0000
16 H62 Hc E 14 12 10 1.091 112.070 -62.71 0.0000
17 H63 Hc E 14 12 10 1.091 111.199 57.72 0.0000
18 O5 Os E 12 10 8 1.481 108.818 56.43 -0.4420
19 O4 Oh S 10 8 6 1.445 109.758 64.85 -0.6590
20 H4O Ho E 19 10 8 0.960 109.451 -179.30 0.4230
21 O3 Oh S 8 6 4 1.440 109.807 172.76 -0.6760
22 H3O Ho E 21 8 6 0.960 109.419 57.20 0.4270
23 O2 Oh S 6 4 3 1.439 107.580 32.59 -0.7650
24 H2O Ho E 23 6 4 0.960 109.418 -59.18 0.4400
LOOP
O5 C1
DONE
0gA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os S 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg 3 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Oh S 9 7 6 1.444 110.823 -72.03 -0.6820
13 H6O Ho E 12 9 7 0.960 109.735 -78.35 0.4180
14 C4 Cg 3 7 6 4 1.543 109.539 -53.99 0.2540
15 H4 H1 E 14 7 6 1.092 109.342 -68.48 0.0000
16 O4 Oh S 14 7 6 1.451 108.995 172.71 -0.7100
17 H4O Ho E 16 14 7 0.968 107.227 -172.23 0.4360
18 C3 Cg 3 14 7 6 1.547 111.254 52.54 0.2860
19 H3 H1 E 18 14 7 1.092 109.616 66.99 0.0000
20 O3 Oh S 18 14 7 1.452 108.604 -174.42 -0.6990
21 H3O Ho E 20 18 14 0.967 107.382 165.20 0.4270
22 C2 Cg B 18 14 7 1.543 112.114 -54.50 0.2460
23 H2 H1 E 22 18 14 1.091 108.373 -65.99 0.0000
24 O2 Oh S 22 18 14 1.465 110.086 176.46 -0.7130
25 H2O Ho E 24 22 18 0.967 109.170 -83.89 0.4370
LOOP
C2 C1
DONE
0gB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg 3 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 C3 Cg 3 6 4 3 1.545 110.380 140.59 0.2840
9 H3 H1 E 8 6 4 1.092 109.008 -69.00 0.0000
10 C4 Cg 3 8 6 4 1.548 112.113 51.91 0.2760
11 H4 H1 E 10 8 6 1.092 109.378 67.39 0.0000
12 C5 Cg 3 10 8 6 1.543 111.306 -53.55 0.2250
13 H5 H1 E 12 10 8 1.092 109.126 -64.00 0.0000
14 C6 Cg 3 12 10 8 1.541 112.515 175.39 0.2820
15 H61 H1 E 14 12 10 1.090 110.609 61.43 0.0000
16 H62 H1 E 14 12 10 1.091 110.212 -58.37 0.0000
17 O6 Oh S 14 12 10 1.440 109.810 -178.39 -0.6880
18 H6O Ho E 17 14 12 0.962 108.265 53.10 0.4240
19 O5 Os E 12 10 8 1.495 108.909 54.04 -0.4710
20 O4 Oh S 10 8 6 1.448 109.104 -173.75 -0.7140
21 H4O Ho E 20 10 8 0.967 107.435 -50.50 0.4400
22 O3 Oh S 8 6 4 1.454 109.219 172.60 -0.7090
23 H3O Ho E 22 8 6 0.967 107.396 52.27 0.4320
24 O2 Oh S 6 4 3 1.458 110.080 20.25 -0.7180
25 H2O Ho E 24 6 4 0.966 108.053 -54.43 0.4370
LOOP
O5 C1
DONE
0gL INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 O6 Oy S 4 3 2 1.431 71.403 -75.96 -0.3040
6 C6 Cg 3 5 4 3 1.441 115.727 170.61 0.0900
7 H6 H1 E 6 5 4 1.090 109.326 -46.03 0.0000
8 C7 Cg 3 6 5 4 1.539 109.452 -159.96 0.2610
9 H7 H1 E 8 6 5 1.091 108.030 169.67 0.0000
10 O7 Oh S 8 6 5 1.451 109.645 -73.49 -0.7120
11 H7O Ho E 10 8 6 0.975 109.093 -67.68 0.4080
12 C8 Cg 3 8 6 5 1.556 112.912 50.19 0.2810
13 H8 H1 E 12 8 6 1.091 109.679 -63.78 0.0000
14 O8 Oh S 12 8 6 1.465 109.875 55.42 -0.6830
15 H8O Ho E 14 12 8 0.989 111.171 -71.70 0.4230
16 C9 Cg 3 12 8 6 1.546 111.802 175.39 0.2520
17 H9R H1 E 16 12 8 1.091 110.154 -61.57 0.0000
18 H9S H1 E 16 12 8 1.090 110.707 58.01 0.0000
19 O9 Oh S 16 12 8 1.442 110.110 178.23 -0.6810
20 H9O Ho E 19 16 12 0.966 105.599 41.84 0.4170
21 C5 Cg 3 6 5 4 1.539 107.618 68.71 0.4560
22 H5 H1 E 21 6 5 1.092 108.644 61.52 0.0000
23 N5 Ng B 21 6 5 1.485 110.283 -178.97 -0.7570
24 H5N H E 23 21 6 1.009 118.343 81.24 0.3120
25 C5N C B 23 21 6 1.340 123.871 -93.43 0.6520
26 O5N O E 25 23 21 1.229 120.643 1.25 -0.6120
27 CME Cg 3 25 23 21 1.585 118.309 -179.32 0.2780
28 H1M H1 E 27 25 23 1.090 107.406 -109.99 0.0000
29 H2M H1 E 27 25 23 1.090 107.247 134.99 0.0000
30 OHG Oh S 27 25 23 1.456 118.581 12.68 -0.6530
31 HOG Ho E 30 27 25 0.961 109.618 127.32 0.3850
32 C4 Cg 3 21 6 5 1.567 108.763 -56.16 0.3750
33 H4 H1 E 32 21 6 1.091 108.346 -69.62 0.0000
34 O4 Oh S 32 21 6 1.459 111.264 172.12 -0.7990
35 H4O Ho E 34 32 21 0.960 109.015 67.58 0.4350
36 C3 Cg B 32 21 6 1.542 112.768 49.82 0.0400
37 H3A Hc E 36 32 21 1.094 108.648 73.23 0.0000
38 H3E Hc E 36 32 21 1.092 110.246 -171.81 0.0000
39 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
40 O1B O2 E 39 4 3 1.253 118.911 142.22 -0.8260
41 O1A O2 E 39 4 3 1.261 115.851 -46.27 -0.8260
LOOP
C3 C2
DONE
0hA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.373 114.818 -133.12 0.3940
5 H1 H2 E 4 3 2 1.090 123.975 26.37 0.0000
6 O5 Os S 4 3 2 1.473 66.142 -70.59 -0.4610
7 C5 Cg 3 6 4 3 1.486 117.952 -69.56 0.2790
8 H5 H1 E 7 6 4 1.092 108.099 67.53 0.0000
9 C6 Cg 3 7 6 4 1.530 106.736 -176.09 0.0230
10 H61 Hc E 9 7 6 1.091 111.668 63.20 0.0000
11 H62 Hc E 9 7 6 1.091 111.314 -56.98 0.0000
12 H63 Hc E 9 7 6 1.090 111.509 -176.49 0.0000
13 C4 Cg 3 7 6 4 1.549 110.695 -51.67 0.1870
14 H4 H1 E 13 7 6 1.091 109.781 -68.51 0.0000
15 O4 Oh S 13 7 6 1.456 109.491 172.11 -0.6440
16 H4O Ho E 15 13 7 0.963 110.183 73.83 0.4050
17 C3 Cg 3 13 7 6 1.545 110.317 52.49 0.2360
18 H3 H1 E 17 13 7 1.092 108.830 64.14 0.0000
19 O3 Oh S 17 13 7 1.452 109.689 -178.23 -0.6490
20 H3O Ho E 19 17 13 0.965 106.808 -52.52 0.4250
21 C2 Cg B 17 13 7 1.545 112.380 -55.89 0.2480
22 H2 H1 E 21 17 13 1.091 109.364 174.25 0.0000
23 O2 Oh S 21 17 13 1.456 109.714 -67.50 -0.6700
24 H2O Ho E 23 21 17 0.965 106.818 -49.47 0.4210
LOOP
C2 C1
DONE
0hB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 42.030 124.543 -153.41 0.3810
5 H1 H2 E 4 3 2 1.091 139.785 159.66 0.0000
6 C2 Cg 3 4 3 2 1.542 96.846 27.94 0.2430
7 H2 H1 E 6 4 3 1.091 110.263 89.84 0.0000
8 C3 Cg 3 6 4 3 1.542 108.951 -149.17 0.1820
9 H3 H1 E 8 6 4 1.092 107.999 -65.80 0.0000
10 C4 Cg 3 8 6 4 1.543 112.684 54.72 0.3880
11 H4 H1 E 10 8 6 1.092 109.930 71.13 0.0000
12 C5 Cg 3 10 8 6 1.547 112.131 -51.25 0.1720
13 H5 H1 E 12 10 8 1.092 109.230 -69.17 0.0000
14 C6M Cg 3 12 10 8 1.530 114.214 169.13 0.0390
15 H3M Hc E 14 12 10 1.091 111.441 61.33 0.0000
16 H2M Hc E 14 12 10 1.091 111.709 -58.98 0.0000
17 H1M Hc E 14 12 10 1.091 111.297 -179.18 0.0000
18 O5 Os E 12 10 8 1.483 109.717 48.94 -0.4270
19 O4 Oh S 10 8 6 1.438 108.082 -169.72 -0.7280
20 H4O Ho E 19 10 8 0.960 109.440 -179.68 0.4320
21 O3 Oh S 8 6 4 1.440 109.222 177.05 -0.6650
22 H3O Ho E 21 8 6 0.960 109.425 178.23 0.4180
23 O2 Oh S 6 4 3 1.446 108.900 -29.97 -0.6730
24 H2O Ho E 23 6 4 0.960 109.408 -178.72 0.4320
LOOP
O5 C1
DONE
0jA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.606 116.955 -129.13 0.1140
5 O6 Os S 4 3 2 1.482 115.122 42.33 -0.5040
6 C6 Cg 3 5 4 3 1.489 118.583 -143.57 0.3680
7 H6A H1 E 6 5 4 1.091 108.585 71.14 0.0000
8 H6E H1 E 6 5 4 1.090 108.936 -171.67 0.0000
9 C5 Cg 3 6 5 4 1.541 111.422 -50.10 0.2730
10 H5 H1 E 9 6 5 1.091 109.320 -69.49 0.0000
11 O5 Oh S 9 6 5 1.453 108.662 172.04 -0.6990
12 H5O Ho E 11 9 6 0.965 108.090 -177.58 0.4190
13 C4 Cg 3 9 6 5 1.547 110.532 51.66 0.2810
14 H4 H1 E 13 9 6 1.091 108.842 63.65 0.0000
15 O4 Oh S 13 9 6 1.460 110.450 -178.37 -0.6720
16 H4O Ho E 15 13 9 0.964 109.388 -155.63 0.4130
17 C3 Cg B 13 9 6 1.550 111.417 -56.44 0.2710
18 H3 H1 E 17 13 9 1.091 109.045 176.24 0.0000
19 O3 Oh S 17 13 9 1.458 108.952 -66.09 -0.6540
20 H3O Ho E 19 17 13 0.966 107.634 -43.74 0.4250
21 C1 Cg 3 4 3 2 1.562 37.871 133.82 0.4100
22 H11 H1 E 21 4 3 1.091 110.432 -44.43 0.0000
23 H12 H1 E 21 4 3 1.091 109.780 74.50 0.0000
24 O1 Oh S 21 4 3 1.437 111.258 -165.16 -0.6560
25 H1O Ho E 24 21 4 0.970 105.489 -31.79 0.4050
LOOP
C3 C2
DONE
0jB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.167 115.000 -133.41 0.4130
5 C1 Cg 3 4 3 2 1.565 63.386 -70.64 0.2800
6 H11 H1 E 5 4 3 1.089 110.419 -177.38 0.0000
7 H12 H1 E 5 4 3 1.091 109.821 -59.25 0.0000
8 O1 Oh S 5 4 3 1.444 112.820 62.20 -0.7220
9 H1O Ho E 8 5 4 0.965 107.671 -41.74 0.4320
10 C3 Cg 3 4 3 2 1.569 133.651 -166.33 0.3630
11 H3 H1 E 10 4 3 1.091 109.772 23.93 0.0000
12 C4 Cg 3 10 4 3 1.551 110.614 144.95 0.1550
13 H4 H1 E 12 10 4 1.090 108.392 -65.40 0.0000
14 C5 Cg 3 12 10 4 1.550 111.966 54.12 0.3740
15 H5 H1 E 14 12 10 1.091 109.534 68.96 0.0000
16 C6 Cg 3 14 12 10 1.547 111.895 -52.01 0.2920
17 H6A H1 E 16 14 12 1.091 110.065 -70.83 0.0000
18 H6E H1 E 16 14 12 1.090 109.985 170.44 0.0000
19 O6 Os E 16 14 12 1.484 111.063 49.63 -0.5510
20 O5 Oh S 14 12 10 1.455 108.361 -172.59 -0.7290
21 H5O Ho E 20 14 12 0.962 111.074 69.64 0.4260
22 O4 Oh S 12 10 4 1.459 109.947 177.92 -0.6840
23 H4O Ho E 22 12 10 0.968 109.165 -169.60 0.4380
24 O3 Oh S 10 4 3 1.461 111.127 -95.90 -0.7250
25 H3O Ho E 24 10 4 0.967 106.570 -171.29 0.4320
LOOP
O6 C2
DONE
0jD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920
5 O5 Os S 4 3 2 1.567 99.436 71.06 -0.4100
6 C5 Cg 3 5 4 3 1.585 113.292 149.88 0.1900
7 H5 H1 E 6 5 4 1.091 109.254 118.42 0.0000
8 C6 Cg 3 6 5 4 1.542 109.417 -121.68 0.3400
9 H61 H1 E 8 6 5 1.090 110.186 170.13 0.0000
10 H62 H1 E 8 6 5 1.090 110.250 50.63 0.0000
11 O6 Oh S 8 6 5 1.441 110.517 -70.42 -0.7250
12 H6O Ho E 11 8 6 0.959 110.296 -58.30 0.4250
13 C4 Cg 3 6 5 4 1.625 104.597 1.92 0.2330
14 H4 H1 E 13 6 5 1.090 107.076 101.60 0.0000
15 O4 Oh S 13 6 5 1.458 113.707 -139.62 -0.6710
16 H4O Ho E 15 13 6 0.965 110.086 -134.30 0.4140
17 C3 Cg B 13 6 5 1.642 107.375 -13.44 0.3930
18 H3 H1 E 17 13 6 1.091 111.073 142.12 0.0000
19 O3 Oh S 17 13 6 1.455 107.927 -98.38 -0.7480
20 H3O Ho E 19 17 13 0.969 106.278 -23.03 0.4460
21 C1 Cg 3 4 3 2 1.554 16.572 -148.09 0.3890
22 H11 H1 E 21 4 3 1.091 110.219 17.52 0.0000
23 H12 H1 E 21 4 3 1.091 109.769 136.51 0.0000
24 O1 Oh S 21 4 3 1.438 111.155 -103.20 -0.6540
25 H1O Ho E 24 21 4 0.969 105.999 -50.29 0.3800
LOOP
C3 C2
DONE
0jU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510
5 C1 Cg 3 4 3 2 1.554 41.375 -67.07 0.3330
6 H11 H1 E 5 4 3 1.090 109.574 170.02 0.0000
7 H12 H1 E 5 4 3 1.090 110.121 -71.39 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 49.66 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 173.81 0.4150
10 C3 Cg 3 4 3 2 1.643 134.152 -137.11 0.2230
11 H3 H1 E 10 4 3 1.090 111.499 28.62 0.0000
12 C4 Cg 3 10 4 3 1.639 106.529 149.37 0.2840
13 H4 H1 E 12 10 4 1.091 107.844 -100.60 0.0000
14 C5 Cg 3 12 10 4 1.619 107.844 15.28 0.1000
15 H5 H1 E 14 12 10 1.089 109.205 -129.69 0.0000
16 C6 Cg 3 14 12 10 1.537 115.282 106.51 0.3490
17 H61 H1 E 16 14 12 1.090 111.054 58.46 0.0000
18 H62 H1 E 16 14 12 1.089 110.316 -62.25 0.0000
19 O6 Oh S 16 14 12 1.435 108.026 178.22 -0.6840
20 H6O Ho E 19 16 14 0.962 107.568 44.32 0.4110
21 O5 Os E 14 12 10 1.585 104.895 -12.75 -0.3890
22 O4 Oh S 12 10 4 1.442 112.118 140.35 -0.6570
23 H4O Ho E 22 12 10 0.969 105.977 -9.00 0.4100
24 O3 Oh S 10 4 3 1.460 110.322 -92.24 -0.6710
25 H3O Ho E 24 10 4 0.971 106.808 11.93 0.4160
LOOP
O5 C2
DONE
0kA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os S 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg 3 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Oh S 9 7 6 1.434 108.908 -64.18 -0.6910
13 H6O Ho E 12 9 7 0.960 109.471 -59.53 0.4220
14 C4 Cg 3 7 6 4 1.549 109.902 -56.18 0.1960
15 H4 H1 E 14 7 6 1.091 109.347 173.46 0.0000
16 O4 Oh S 14 7 6 1.440 109.315 -68.60 -0.7120
17 H4O Ho E 16 14 7 0.960 109.466 -58.47 0.4200
18 C3 Cg 3 14 7 6 1.541 113.058 50.90 0.3540
19 H3 H1 E 18 14 7 1.091 110.148 -170.51 0.0000
20 O3 Oh S 18 14 7 1.440 107.217 72.05 -0.7440
21 H3O Ho E 20 18 14 0.960 109.437 179.14 0.4360
22 C2 Cg B 18 14 7 1.544 111.196 -48.50 0.2810
23 H2 H1 E 22 18 14 1.091 106.696 -68.80 0.0000
24 O2 Oh S 22 18 14 1.439 110.836 175.80 -0.7160
25 H2O Ho E 24 22 18 0.960 109.409 -65.65 0.4270
LOOP
C2 C1
DONE
0kB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg 3 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 C3 Cg 3 6 4 3 1.547 110.415 140.23 0.2530
9 H3 H1 E 8 6 4 1.091 109.195 174.71 0.0000
10 C4 Cg 3 8 6 4 1.545 111.988 53.40 0.2170
11 H4 H1 E 10 8 6 1.091 109.393 -172.98 0.0000
12 C5 Cg 3 10 8 6 1.553 111.117 -52.75 0.3030
13 H5 H1 E 12 10 8 1.092 107.789 -66.12 0.0000
14 C6 Cg 3 12 10 8 1.542 113.025 175.07 0.2590
15 H61 H1 E 14 12 10 1.090 110.096 53.77 0.0000
16 H62 H1 E 14 12 10 1.090 110.533 -65.83 0.0000
17 O6 Oh S 14 12 10 1.441 110.162 173.71 -0.6700
18 H6O Ho E 17 14 12 0.962 108.273 57.74 0.4160
19 O5 Os E 12 10 8 1.499 110.891 51.77 -0.5140
20 O4 Oh S 10 8 6 1.455 108.780 69.68 -0.7000
21 H4O Ho E 20 10 8 0.964 110.377 74.31 0.4250
22 O3 Oh S 8 6 4 1.452 110.271 -66.88 -0.7100
23 H3O Ho E 22 8 6 0.968 107.267 -52.72 0.4420
24 O2 Oh S 6 4 3 1.462 111.766 18.28 -0.7100
25 H2O Ho E 24 6 4 0.965 108.091 -56.20 0.4260
LOOP
O5 C1
DONE
0lA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os S 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg 3 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Oh S 9 7 6 1.434 108.858 -64.45 -0.6840
13 H6O Ho E 12 9 7 0.960 109.466 -59.52 0.4180
14 C4 Cg 3 7 6 4 1.544 109.289 -57.41 0.2040
15 H4 H1 E 14 7 6 1.091 109.671 175.54 0.0000
16 O4 Oh S 14 7 6 1.445 108.372 -65.83 -0.6730
17 H4O Ho E 16 14 7 0.960 109.470 -59.12 0.4360
18 C3 Cg 3 14 7 6 1.544 110.422 54.45 0.2530
19 H3 H1 E 18 14 7 1.091 108.559 66.00 0.0000
20 O3 Oh S 18 14 7 1.440 109.147 -176.39 -0.7010
21 H3O Ho E 20 18 14 0.960 109.438 -179.39 0.4330
22 C2 Cg B 18 14 7 1.541 111.714 -54.48 0.3390
23 H2 H1 E 22 18 14 1.091 108.995 -66.63 0.0000
24 O2 Oh S 22 18 14 1.440 110.049 175.31 -0.7240
25 H2O Ho E 24 22 18 0.960 109.415 -62.60 0.4310
LOOP
C2 C1
DONE
0lB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg 3 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 C3 Cg 3 6 4 3 1.547 110.130 140.44 0.2590
9 H3 H1 E 8 6 4 1.092 108.676 -66.21 0.0000
10 C4 Cg 3 8 6 4 1.546 112.254 53.31 0.2030
11 H4 H1 E 10 8 6 1.091 109.260 -175.38 0.0000
12 C5 Cg 3 10 8 6 1.545 110.517 -55.04 0.1400
13 H5 H1 E 12 10 8 1.092 107.648 -63.90 0.0000
14 C6 Cg 3 12 10 8 1.539 113.155 176.88 0.3190
15 H61 H1 E 14 12 10 1.090 110.337 53.86 0.0000
16 H62 H1 E 14 12 10 1.091 110.848 -66.38 0.0000
17 O6 Oh S 14 12 10 1.437 109.027 173.44 -0.6930
18 H6O Ho E 17 14 12 0.961 107.830 58.33 0.4190
19 O5 Os E 12 10 8 1.495 110.103 53.62 -0.4020
20 O4 Oh S 10 8 6 1.449 109.638 65.91 -0.6640
21 H4O Ho E 20 10 8 0.967 107.158 51.40 0.4370
22 O3 Oh S 8 6 4 1.455 110.815 175.60 -0.6940
23 H3O Ho E 22 8 6 0.967 107.449 52.82 0.4330
24 O2 Oh S 6 4 3 1.459 109.860 20.73 -0.7260
25 H2O Ho E 24 6 4 0.965 107.724 -55.10 0.4320
LOOP
O5 C1
DONE
0mA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os S 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg 3 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Oh S 9 7 6 1.444 110.952 -70.49 -0.6880
13 H6O Ho E 12 9 7 0.960 109.923 -72.72 0.4220
14 C4 Cg 3 7 6 4 1.546 110.394 -50.35 0.3260
15 H4 H1 E 14 7 6 1.091 109.924 -69.18 0.0000
16 O4 Oh S 14 7 6 1.452 108.824 171.70 -0.7330
17 H4O Ho E 16 14 7 0.966 107.267 -173.46 0.4380
18 C3 Cg 3 14 7 6 1.549 110.605 52.31 0.2520
19 H3 H1 E 18 14 7 1.092 108.663 62.49 0.0000
20 O3 Oh S 18 14 7 1.461 110.813 -179.59 -0.6960
21 H3O Ho E 20 18 14 0.964 109.699 -161.58 0.4310
22 C2 Cg B 18 14 7 1.545 111.609 -57.15 0.2450
23 H2 H1 E 22 18 14 1.091 109.207 175.17 0.0000
24 O2 Oh S 22 18 14 1.459 109.731 -66.73 -0.7170
25 H2O Ho E 24 22 18 0.965 108.621 -45.43 0.4460
LOOP
C2 C1
DONE
0mB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg 3 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 C3 Cg 3 6 4 3 1.547 107.300 140.06 0.2630
9 H3 H1 E 8 6 4 1.092 107.890 -58.13 0.0000
10 C4 Cg 3 8 6 4 1.553 110.623 60.52 0.3490
11 H4 H1 E 10 8 6 1.091 109.997 63.90 0.0000
12 C5 Cg 3 10 8 6 1.550 110.419 -57.43 0.2060
13 H5 H1 E 12 10 8 1.092 108.705 -67.76 0.0000
14 C6 Cg 3 12 10 8 1.539 111.873 172.30 0.2730
15 H61 H1 E 14 12 10 1.090 110.558 59.60 0.0000
16 H62 H1 E 14 12 10 1.091 110.262 -60.18 0.0000
17 O6 Oh S 14 12 10 1.439 109.850 179.68 -0.6800
18 H6O Ho E 17 14 12 0.962 108.414 55.86 0.4190
19 O5 Os E 12 10 8 1.498 110.843 50.51 -0.3930
20 O4 Oh S 10 8 6 1.452 109.624 -176.73 -0.7460
21 H4O Ho E 20 10 8 0.963 108.380 -79.71 0.4430
22 O3 Oh S 8 6 4 1.457 110.746 -174.70 -0.6920
23 H3O Ho E 22 8 6 0.962 109.624 154.41 0.4300
24 O2 Oh S 6 4 3 1.459 109.767 -99.50 -0.6640
25 H2O Ho E 24 6 4 0.964 107.524 55.50 0.4310
LOOP
O5 C1
DONE
0nA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os S 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg 3 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Oh S 9 7 6 1.434 109.011 -63.74 -0.6630
13 H6O Ho E 12 9 7 0.960 109.493 -59.88 0.3960
14 C4 Cg 3 7 6 4 1.545 108.589 -54.12 0.1670
15 H4 H1 E 14 7 6 1.091 108.424 -67.01 0.0000
16 O4 Oh S 14 7 6 1.439 109.651 175.64 -0.7330
17 H4O Ho E 16 14 7 0.960 109.442 -61.75 0.4440
18 C3 Cg 3 14 7 6 1.543 113.659 53.11 0.3300
19 H3 H1 E 18 14 7 1.091 110.022 -173.93 0.0000
20 O3 Oh S 18 14 7 1.445 109.798 66.31 -0.7140
21 H3O Ho E 20 18 14 0.960 109.446 64.20 0.4410
22 C2 Cg B 18 14 7 1.541 108.602 -53.52 0.2280
23 H2 H1 E 22 18 14 1.091 106.837 -65.32 0.0000
24 O2 Oh S 22 18 14 1.439 110.703 179.06 -0.6680
25 H2O Ho E 24 22 18 0.960 109.386 -64.03 0.4150
LOOP
C2 C1
DONE
0nB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg 3 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 C3 Cg 3 6 4 3 1.544 110.844 141.66 0.2340
9 H3 H1 E 8 6 4 1.092 109.398 175.17 0.0000
10 C4 Cg 3 8 6 4 1.546 109.920 54.68 0.2860
11 H4 H1 E 10 8 6 1.091 108.699 62.12 0.0000
12 C5 Cg 3 10 8 6 1.547 111.303 -57.50 0.1980
13 H5 H1 E 12 10 8 1.091 109.233 -61.92 0.0000
14 C6 Cg 3 12 10 8 1.541 112.741 177.70 0.3130
15 H61 H1 E 14 12 10 1.090 110.689 61.33 0.0000
16 H62 H1 E 14 12 10 1.090 110.338 -58.85 0.0000
17 O6 Oh S 14 12 10 1.438 109.178 -178.76 -0.6890
18 H6O Ho E 17 14 12 0.962 107.694 47.58 0.4180
19 O5 Os E 12 10 8 1.500 108.536 56.16 -0.5070
20 O4 Oh S 10 8 6 1.447 109.608 179.74 -0.7070
21 H4O Ho E 20 10 8 0.966 108.053 38.89 0.4300
22 O3 Oh S 8 6 4 1.458 109.599 -65.98 -0.6150
23 H3O Ho E 22 8 6 0.967 107.516 -48.26 0.3890
24 O2 Oh S 6 4 3 1.458 111.714 19.64 -0.7030
25 H2O Ho E 24 6 4 0.966 108.382 -58.42 0.4240
LOOP
O5 C1
DONE
0oA INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.463 117.245 -129.47 0.3050
5 H1 H2 E 4 3 2 1.090 34.578 150.44 0.0000
6 O5 Os S 4 3 2 1.471 105.819 50.53 -0.4240
7 C5 Cg 3 6 4 3 1.515 118.146 -155.23 0.0540
8 H5 H1 E 7 6 4 1.092 107.817 65.63 0.0000
9 C6 C B 7 6 4 1.566 116.761 -173.10 0.8960
10 O6B O2 E 9 7 6 1.255 117.285 49.97 -0.8220
11 O6A O2 E 9 7 6 1.252 116.529 -135.07 -0.8220
12 C4 Cg 3 7 6 4 1.540 109.060 -52.35 0.2670
13 H4 H1 E 12 7 6 1.091 109.560 176.88 0.0000
14 O4 Oh S 12 7 6 1.455 107.562 -64.91 -0.7040
15 H4O Ho E 14 12 7 0.981 106.629 -34.53 0.4290
16 C3 Cg 3 12 7 6 1.551 109.735 56.67 0.2510
17 H3 H1 E 16 12 7 1.092 108.010 56.95 0.0000
18 O3 Oh S 16 12 7 1.460 111.816 174.01 -0.7250
19 H3O Ho E 18 16 12 0.964 107.278 157.34 0.4160
20 C2 Cg B 16 12 7 1.548 110.284 -61.11 0.4130
21 H2 H1 E 20 16 12 1.091 109.347 -64.48 0.0000
22 O2 Oh S 20 16 12 1.464 110.220 176.88 -0.7710
23 H2O Ho E 22 20 16 0.966 105.614 -87.16 0.4310
LOOP
C2 C1
DONE
0oB INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.219 115.043 -133.41 0.3010
5 H1 H2 E 4 3 2 1.091 63.366 -68.89 0.0000
6 C2 Cg 3 4 3 2 1.559 138.871 -159.91 0.3830
7 H2 H1 E 6 4 3 1.091 109.614 -94.43 0.0000
8 C3 Cg 3 6 4 3 1.553 110.962 144.51 0.2590
9 H3 H1 E 8 6 4 1.092 108.228 -67.30 0.0000
10 C4 Cg 3 8 6 4 1.548 111.733 51.56 0.2600
11 H4 H1 E 10 8 6 1.091 108.447 -176.52 0.0000
12 C5 Cg 3 10 8 6 1.538 110.856 -55.81 0.0490
13 H5 H1 E 12 10 8 1.092 107.135 -59.52 0.0000
14 C6 C B 12 10 8 1.574 110.283 -172.73 0.8380
15 O6A O2 E 14 12 10 1.254 118.706 -136.36 -0.7940
16 O6B O2 E 14 12 10 1.256 116.247 49.13 -0.7940
17 O5 Os E 12 10 8 1.506 109.239 55.41 -0.4140
18 O4 Oh S 10 8 6 1.450 109.430 65.27 -0.6610
19 H4O Ho E 18 10 8 0.961 107.547 51.96 0.4020
20 O3 Oh S 8 6 4 1.466 112.472 174.09 -0.7080
21 H3O Ho E 20 8 6 0.961 109.065 156.60 0.4040
22 O2 Oh S 6 4 3 1.460 107.566 23.78 -0.7320
23 H2O Ho E 22 6 4 0.962 106.473 -54.35 0.4010
LOOP
O5 C1
DONE
0pA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 38.107 125.493 -138.65 0.4170
5 O6 Os S 4 3 2 1.488 134.068 95.67 -0.5980
6 C6 Cg 3 5 4 3 1.482 118.332 -161.65 0.3930
7 H6A H1 E 6 5 4 1.091 109.250 66.45 0.0000
8 H6E H1 E 6 5 4 1.090 109.091 -175.40 0.0000
9 C5 Cg 3 6 5 4 1.536 109.077 -54.75 0.1530
10 H5 H1 E 9 6 5 1.091 108.321 -65.28 0.0000
11 O5 Oh S 9 6 5 1.437 108.893 177.77 -0.6930
12 H5O Ho E 11 9 6 0.960 109.495 178.45 0.4280
13 C4 Cg 3 9 6 5 1.541 113.177 55.00 0.3940
14 H4 H1 E 13 9 6 1.091 110.012 -174.96 0.0000
15 O4 Oh S 13 9 6 1.445 109.714 65.32 -0.7020
16 H4O Ho E 15 13 9 0.960 109.435 -179.19 0.4320
17 C3 Cg B 13 9 6 1.543 108.511 -54.52 0.1500
18 H3 H1 E 17 13 9 1.091 106.088 -66.29 0.0000
19 O3 Oh S 17 13 9 1.441 110.125 178.95 -0.6650
20 H3O Ho E 19 17 13 0.960 109.411 -65.90 0.4090
21 C1 Cg 3 4 3 2 1.541 32.225 137.95 0.3270
22 H11 H1 E 21 4 3 1.091 110.426 -89.86 0.0000
23 H12 H1 E 21 4 3 1.091 110.581 29.73 0.0000
24 O1 Oh S 21 4 3 1.436 110.176 150.08 -0.6440
25 H1O Ho E 24 21 4 0.960 109.427 -60.11 0.3930
LOOP
C3 C2
DONE
0pB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.269 115.092 -133.40 0.4070
5 C1 Cg 3 4 3 2 1.572 55.875 -67.58 0.3790
6 H11 H1 E 5 4 3 1.088 110.382 170.92 0.0000
7 H12 H1 E 5 4 3 1.091 110.003 -70.52 0.0000
8 O1 Oh S 5 4 3 1.452 112.720 50.63 -0.7200
9 H1O Ho E 8 5 4 0.961 109.403 178.93 0.4100
10 C3 Cg 3 4 3 2 1.562 136.654 -159.34 0.1800
11 H3 H1 E 10 4 3 1.092 107.885 -98.54 0.0000
12 C4 Cg 3 10 4 3 1.548 113.222 144.34 0.3280
13 H4 H1 E 12 10 4 1.091 109.035 170.62 0.0000
14 C5 Cg 3 12 10 4 1.546 111.648 50.00 0.1880
15 H5 H1 E 14 12 10 1.091 108.531 65.60 0.0000
16 C6 Cg 3 14 12 10 1.540 111.137 -53.12 0.3640
17 H6A H1 E 16 14 12 1.091 110.957 -65.43 0.0000
18 H6E H1 E 16 14 12 1.090 110.095 174.89 0.0000
19 O6 Os E 16 14 12 1.483 108.996 55.37 -0.5400
20 O5 Oh S 14 12 10 1.454 110.567 -176.42 -0.7050
21 H5O Ho E 20 14 12 0.967 108.400 37.89 0.4330
22 O4 Oh S 12 10 4 1.453 109.303 -71.38 -0.6980
23 H4O Ho E 22 12 10 0.967 106.113 -55.83 0.4270
24 O3 Oh S 10 4 3 1.462 112.137 18.93 -0.6810
25 H3O Ho E 24 10 4 0.967 108.335 -65.45 0.4220
LOOP
O6 C2
DONE
0pD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240
5 O5 Os S 4 3 2 1.578 107.245 118.43 -0.4530
6 C5 Cg 3 5 4 3 1.580 112.574 125.89 0.1940
7 H5 H1 E 6 5 4 1.092 109.225 119.03 0.0000
8 C6 Cg 3 6 5 4 1.529 108.517 -121.64 0.2910
9 H61 H1 E 8 6 5 1.090 110.281 176.00 0.0000
10 H62 H1 E 8 6 5 1.091 110.695 55.73 0.0000
11 O6 Oh S 8 6 5 1.433 108.604 -64.48 -0.6950
12 H6O Ho E 11 8 6 0.960 109.454 -59.02 0.4110
13 C4 Cg 3 6 5 4 1.626 105.532 -0.49 0.2820
14 H4 H1 E 13 6 5 1.091 112.773 -134.13 0.0000
15 O4 Oh S 13 6 5 1.437 105.885 105.93 -0.6830
16 H4O Ho E 15 13 6 0.960 109.464 -177.78 0.4210
17 C3 Cg B 13 6 5 1.629 106.867 -10.85 0.3340
18 H3 H1 E 17 13 6 1.090 106.567 -97.07 0.0000
19 O3 Oh S 17 13 6 1.441 113.670 145.25 -0.6610
20 H3O Ho E 19 17 13 0.960 109.502 57.68 0.4150
21 C1 Cg 3 4 3 2 1.533 11.296 11.27 0.2860
22 H11 H1 E 21 4 3 1.091 110.553 139.19 0.0000
23 H12 H1 E 21 4 3 1.091 110.436 -100.78 0.0000
24 O1 Oh S 21 4 3 1.434 109.386 19.30 -0.6910
25 H1O Ho E 24 21 4 0.960 109.478 -179.30 0.4190
LOOP
C3 C2
DONE
0pU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880
5 C1 Cg 3 4 3 2 1.541 49.994 0.67 0.3650
6 H11 H1 E 5 4 3 1.090 109.918 -145.53 0.0000
7 H12 H1 E 5 4 3 1.091 110.660 -26.12 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 94.77 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 -179.45 0.4180
10 C3 Cg 3 4 3 2 1.631 108.524 -109.61 0.3340
11 H3 H1 E 10 4 3 1.091 109.543 -74.21 0.0000
12 C4 Cg 3 10 4 3 1.631 107.756 169.64 0.1920
13 H4 H1 E 12 10 4 1.091 111.099 133.10 0.0000
14 C5 Cg 3 12 10 4 1.623 107.338 10.25 0.3690
15 H5 H1 E 14 12 10 1.092 111.285 -129.81 0.0000
16 C6 Cg 3 14 12 10 1.529 112.798 106.76 0.2150
17 H61 H1 E 16 14 12 1.090 110.301 60.35 0.0000
18 H62 H1 E 16 14 12 1.091 110.659 -59.91 0.0000
19 O6 Oh S 16 14 12 1.433 108.649 179.93 -0.6780
20 H6O Ho E 19 16 14 0.960 109.500 -58.51 0.4210
21 O5 Os E 14 12 10 1.576 105.494 -11.41 -0.4800
22 O4 Oh S 12 10 4 1.438 110.850 -105.23 -0.7110
23 H4O Ho E 22 12 10 0.960 109.445 -179.82 0.4380
24 O3 Oh S 10 4 3 1.441 112.255 44.83 -0.7140
25 H3O Ho E 24 10 4 0.960 109.493 177.90 0.4240
LOOP
O5 C2
DONE
0qA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.363 114.978 -133.03 0.4650
5 H1 H1 E 4 3 2 1.090 121.763 32.99 0.0000
6 O5 Os S 4 3 2 1.467 70.798 -67.46 -0.5590
7 C5 Cg 3 6 4 3 1.487 117.291 -66.87 0.2340
8 H5 H1 E 7 6 4 1.092 108.269 65.21 0.0000
9 C6 Cg 3 7 6 4 1.531 106.976 -178.31 0.0600
10 H61 Hc E 9 7 6 1.091 111.279 -57.12 0.0000
11 H62 Hc E 9 7 6 1.091 111.508 -176.59 0.0000
12 H63 Hc E 9 7 6 1.091 111.703 63.05 0.0000
13 C4 Cg 3 7 6 4 1.546 110.112 -53.83 0.2080
14 H4 H1 E 13 7 6 1.092 109.076 -69.57 0.0000
15 O4 Oh S 13 7 6 1.456 108.902 171.97 -0.6640
16 H4O Ho E 15 13 7 0.963 110.329 76.40 0.4030
17 C3 Cg 3 13 7 6 1.550 111.848 51.22 0.3120
18 H3 H1 E 17 13 7 1.092 109.484 68.56 0.0000
19 O3 Oh S 17 13 7 1.451 107.191 -173.73 -0.6970
20 H3O Ho E 19 17 13 0.963 107.525 -56.57 0.4240
21 C2 Cg B 17 13 7 1.550 112.115 -52.85 0.2810
22 H2 H1 E 21 17 13 1.091 108.369 -65.92 0.0000
23 O2 Oh S 21 17 13 1.464 112.236 175.32 -0.6950
24 H2O Ho E 23 21 17 0.963 109.360 -65.35 0.4220
LOOP
C2 C1
DONE
0qB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.342 114.850 -133.09 0.3910
5 H1 H1 E 4 3 2 1.091 66.637 -64.20 0.0000
6 C2 Cg 3 4 3 2 1.554 136.503 -160.98 0.3230
7 H2 H1 E 6 4 3 1.092 109.276 -93.94 0.0000
8 C3 Cg 3 6 4 3 1.546 109.870 145.94 0.3000
9 H3 H1 E 8 6 4 1.092 108.841 -69.08 0.0000
10 C4 Cg 3 8 6 4 1.549 112.577 51.86 0.2500
11 H4 H1 E 10 8 6 1.092 109.316 68.82 0.0000
12 C5 Cg 3 10 8 6 1.548 111.410 -52.00 0.2710
13 H5 H1 E 12 10 8 1.092 109.263 -66.11 0.0000
14 C6 Cg 3 12 10 8 1.530 114.065 172.27 0.0480
15 H61 Hc E 14 12 10 1.091 111.262 -178.50 0.0000
16 H62 Hc E 14 12 10 1.091 111.509 62.03 0.0000
17 H63 Hc E 14 12 10 1.091 111.710 -58.34 0.0000
18 O5 Os E 12 10 8 1.486 109.336 52.29 -0.5350
19 O4 Oh S 10 8 6 1.451 109.144 -172.28 -0.7130
20 H4O Ho E 19 10 8 0.966 107.748 -53.29 0.4210
21 O3 Oh S 8 6 4 1.454 109.133 172.74 -0.6890
22 H3O Ho E 21 8 6 0.966 107.391 52.07 0.4200
23 O2 Oh S 6 4 3 1.460 110.327 25.57 -0.7130
24 H2O Ho E 23 6 4 0.966 107.987 -53.85 0.4200
LOOP
O5 C1
DONE
0rA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.108 125.437 -138.65 0.4880
5 H1 H2 E 4 3 2 1.090 34.452 139.99 0.0000
6 O5 Os S 4 3 2 1.483 136.062 95.09 -0.5610
7 C5 Cg 3 6 4 3 1.483 117.768 -164.72 0.3770
8 H5A H1 E 7 6 4 1.091 109.204 66.57 0.0000
9 H5E H1 E 7 6 4 1.090 109.080 -175.36 0.0000
10 C4 Cg 3 7 6 4 1.537 109.246 -54.64 0.1220
11 H4 H1 E 10 7 6 1.091 108.264 -65.95 0.0000
12 O4 Oh S 10 7 6 1.437 108.837 177.17 -0.6630
13 H4O Ho E 12 10 7 0.960 109.433 -61.56 0.4190
14 C3 Cg 3 10 7 6 1.542 113.340 54.31 0.3450
15 H3 H1 E 14 10 7 1.091 110.108 -174.25 0.0000
16 O3 Oh S 14 10 7 1.445 109.754 65.90 -0.7370
17 H3O Ho E 16 14 10 0.960 109.441 63.11 0.4430
18 C2 Cg B 14 10 7 1.542 108.334 -53.79 0.2530
19 H2 H1 E 18 14 10 1.091 106.798 -65.63 0.0000
20 O2 Oh S 18 14 10 1.439 110.674 178.86 -0.7110
21 H2O Ho E 20 18 14 0.960 109.367 -64.08 0.4190
LOOP
C2 C1
DONE
0rB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.205 115.033 -133.24 0.4810
5 H1 H2 E 4 3 2 1.090 58.746 -70.52 0.0000
6 C2 Cg 3 4 3 2 1.563 140.544 -157.28 0.3850
7 H2 H1 E 6 4 3 1.092 108.121 -109.69 0.0000
8 C3 Cg 3 6 4 3 1.550 109.259 132.95 0.2030
9 H3 H1 E 8 6 4 1.091 109.709 178.53 0.0000
10 C4 Cg 3 8 6 4 1.548 108.635 58.66 0.2360
11 H4 H1 E 10 8 6 1.091 108.914 60.36 0.0000
12 C5 Cg 3 10 8 6 1.549 110.878 -58.91 0.3350
13 H5A H1 E 12 10 8 1.091 110.751 -65.58 0.0000
14 H5E H1 E 12 10 8 1.090 110.011 175.14 0.0000
15 O5 Os E 12 10 8 1.488 109.926 55.20 -0.5760
16 O4 Oh S 10 8 6 1.453 110.299 178.35 -0.6950
17 H4O Ho E 16 10 8 0.963 110.348 -71.99 0.4110
18 O3 Oh S 8 6 4 1.460 111.251 -60.93 -0.6960
19 H3O Ho E 18 8 6 0.965 108.989 176.00 0.4280
20 O2 Oh S 6 4 3 1.459 113.253 8.58 -0.7320
21 H2O Ho E 20 6 4 0.963 108.588 -45.68 0.4140
LOOP
O5 C1
DONE
0rD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 31.783 117.445 -130.09 0.4450
5 H1 H2 E 4 3 2 1.090 21.504 -157.11 0.0000
6 O4 Os S 4 3 2 1.561 97.975 72.12 -0.5130
7 C4 Cg 3 6 4 3 1.590 113.384 153.92 0.3270
8 H4 H1 E 7 6 4 1.091 109.128 114.99 0.0000
9 C5 Cg 3 7 6 4 1.540 110.745 -124.36 0.1950
10 H51 H1 E 9 7 6 1.090 109.790 172.36 0.0000
11 H52 H1 E 9 7 6 1.090 109.854 53.62 0.0000
12 O5 Oh S 9 7 6 1.441 111.480 -67.27 -0.6670
13 H5O Ho E 12 9 7 0.961 110.927 -63.80 0.4080
14 C3 Cg 3 7 6 4 1.627 104.801 -3.59 0.2750
15 H3 H1 E 14 7 6 1.090 111.845 -130.65 0.0000
16 O3 Oh S 14 7 6 1.452 108.122 109.49 -0.7390
17 H3O Ho E 16 14 7 0.969 108.678 -102.78 0.4380
18 C2 Cg B 14 7 6 1.641 107.074 -9.06 0.3180
19 H2 H1 E 18 14 7 1.090 106.590 -95.30 0.0000
20 O2 Oh S 18 14 7 1.461 113.571 147.17 -0.7090
21 H2O Ho E 20 18 14 0.962 110.320 57.03 0.4160
LOOP
C2 C1
DONE
0rU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.407 114.701 -133.21 0.3780
5 H1 H1 E 4 3 2 1.091 84.946 -59.46 0.0000
6 C2 Cg 3 4 3 2 1.633 131.021 -175.92 0.2930
7 H2 H1 E 6 4 3 1.091 111.731 -2.35 0.0000
8 C3 Cg 3 6 4 3 1.643 106.357 -122.88 0.2890
9 H3 H1 E 8 6 4 1.091 108.114 103.55 0.0000
10 C4 Cg 3 8 6 4 1.616 107.735 -14.49 0.1020
11 H4 H1 E 10 8 6 1.091 109.546 -104.49 0.0000
12 C5 Cg 3 10 8 6 1.534 112.497 133.15 0.3380
13 H51 H1 E 12 10 8 1.090 110.394 -65.27 0.0000
14 H52 H1 E 12 10 8 1.090 110.006 54.34 0.0000
15 O5 Oh S 12 10 8 1.436 109.887 174.05 -0.6920
16 H5O Ho E 15 12 10 0.959 109.586 -178.63 0.4150
17 O4 Os E 10 8 6 1.587 104.949 11.40 -0.4240
18 O3 Oh S 8 6 4 1.443 112.608 -136.62 -0.6830
19 H3O Ho E 18 8 6 0.968 106.484 22.47 0.4280
20 O2 Oh S 6 4 3 1.462 109.045 117.82 -0.6700
21 H2O Ho E 20 6 4 0.963 109.628 -69.88 0.4200
LOOP
O4 C1
DONE
0sA INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 O6 Oy S 4 3 2 1.434 70.506 -75.66 -0.4030
6 C6 Cg 3 5 4 3 1.441 115.367 171.46 0.2200
7 H6 H1 E 6 5 4 1.090 109.244 -47.22 0.0000
8 C7 Cg 3 6 5 4 1.543 109.559 -161.44 0.1110
9 H7 H1 E 8 6 5 1.091 107.799 168.79 0.0000
10 O7 Oh S 8 6 5 1.460 110.189 -74.65 -0.7210
11 H7O Ho E 10 8 6 0.977 109.950 -68.18 0.4350
12 C8 Cg 3 8 6 5 1.556 112.192 50.24 0.4920
13 H8 H1 E 12 8 6 1.091 109.991 -62.63 0.0000
14 O8 Oh S 12 8 6 1.460 109.072 56.72 -0.7390
15 H8O Ho E 14 12 8 0.983 110.254 -72.72 0.4120
16 C9 Cg 3 12 8 6 1.552 112.385 175.84 0.1780
17 H9R H1 E 16 12 8 1.091 109.920 -62.24 0.0000
18 H9S H1 E 16 12 8 1.090 110.169 56.42 0.0000
19 O9 Oh S 16 12 8 1.449 111.722 176.90 -0.6890
20 H9O Ho E 19 16 12 0.965 107.018 49.30 0.4080
21 C5 Cg 3 6 5 4 1.544 107.983 67.65 0.3080
22 H5 H1 E 21 6 5 1.092 108.575 62.14 0.0000
23 N5 Ng B 21 6 5 1.484 110.767 -178.16 -0.6290
24 H5N H E 23 21 6 1.007 117.476 80.00 0.2800
25 C5N C B 23 21 6 1.337 123.580 -93.52 0.6320
26 O5N O E 25 23 21 1.228 122.141 0.64 -0.5930
27 CME Cg 3 25 23 21 1.541 116.316 179.71 -0.0030
28 H1M Hc E 27 25 23 1.091 109.337 -90.47 0.0000
29 H2M Hc E 27 25 23 1.091 109.813 150.00 0.0000
30 H3M Hc E 27 25 23 1.092 110.905 29.98 0.0000
31 C4 Cg 3 21 6 5 1.560 108.513 -55.53 0.3320
32 H4 H1 E 31 21 6 1.091 108.674 -70.08 0.0000
33 O4 Oh S 31 21 6 1.451 110.232 171.69 -0.7620
34 H4O Ho E 33 31 21 0.959 109.266 56.92 0.4150
35 C3 Cg B 31 21 6 1.539 113.169 50.35 0.0060
36 H3A Hc E 35 31 21 1.094 108.947 71.64 0.0000
37 H3E Hc E 35 31 21 1.092 110.387 -172.94 0.0000
38 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
39 O1B O2 E 38 4 3 1.255 119.143 137.62 -0.7610
40 O1A O2 E 38 4 3 1.261 116.232 -48.95 -0.7610
LOOP
C3 C2
DONE
0sB INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg 3 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg 3 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 C5 Cg 3 11 8 4 1.555 110.759 -54.06 0.5230
14 H5 H1 E 13 11 8 1.092 108.107 -66.49 0.0000
15 C6 Cg 3 13 11 8 1.541 110.257 52.78 -0.0080
16 H6 H1 E 15 13 11 1.092 107.098 63.94 0.0000
17 C7 Cg 3 15 13 11 1.547 117.009 -177.41 0.2780
18 H7 H1 E 17 15 13 1.091 107.450 -69.59 0.0000
19 C8 Cg 3 17 15 13 1.556 114.439 170.69 0.3670
20 H8 H1 E 19 17 15 1.091 109.577 -68.20 0.0000
21 C9 Cg 3 19 17 15 1.547 112.389 170.25 0.2010
22 H9R H1 E 21 19 17 1.091 110.087 -60.19 0.0000
23 H9S H1 E 21 19 17 1.090 110.247 58.95 0.0000
24 O9 Oh S 21 19 17 1.445 110.971 179.23 -0.6720
25 H9O Ho E 24 21 19 0.965 106.904 44.06 0.3930
26 O8 Oh S 19 17 15 1.460 109.033 50.18 -0.7040
27 H8O Ho E 26 19 17 0.967 107.039 -66.84 0.3920
28 O7 Oh S 17 15 13 1.449 109.778 46.77 -0.6560
29 H7O Ho E 28 17 15 0.974 109.644 -69.17 0.3900
30 O6 Oy E 15 13 11 1.443 109.363 -52.05 -0.3440
31 N5 Ng B 13 11 8 1.475 109.895 173.79 -0.6690
32 H5N H E 31 13 11 1.005 117.089 -42.64 0.2610
33 C5N C B 31 13 11 1.332 123.259 141.20 0.6780
34 CME Cg 3 33 31 13 1.541 116.623 -176.07 -0.0050
35 H1M Hc E 34 33 31 1.091 109.699 -143.39 0.0000
36 H2M Hc E 34 33 31 1.091 109.294 97.18 0.0000
37 H3M Hc E 34 33 31 1.092 111.130 -23.27 0.0000
38 O5N O E 33 31 13 1.226 121.725 3.82 -0.6340
39 O4 Oh S 11 8 4 1.460 108.780 -177.65 -0.7140
40 H4O Ho E 39 11 8 0.961 110.372 -177.37 0.3900
LOOP
O6 C2
DONE
0tA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os S 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg 3 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Oh S 9 7 6 1.434 108.863 -64.48 -0.6690
13 H6O Ho E 12 9 7 0.960 109.462 -59.57 0.4010
14 C4 Cg 3 7 6 4 1.544 109.541 -57.17 0.4340
15 H4 H1 E 14 7 6 1.091 109.540 173.93 0.0000
16 O4 Oh S 14 7 6 1.443 109.067 -67.36 -0.7310
17 H4O Ho E 16 14 7 0.960 109.459 -59.56 0.4170
18 C3 Cg 3 14 7 6 1.543 109.739 53.52 0.1240
19 H3 H1 E 18 14 7 1.091 106.734 65.74 0.0000
20 O3 Oh S 18 14 7 1.439 110.707 -178.75 -0.6870
21 H3O Ho E 20 18 14 0.960 109.479 -176.63 0.4420
22 C2 Cg B 18 14 7 1.545 114.910 -52.34 0.2450
23 H2 H1 E 22 18 14 1.091 109.723 171.12 0.0000
24 O2 Oh S 22 18 14 1.440 110.347 -69.94 -0.6550
25 H2O Ho E 24 22 18 0.960 109.490 -179.95 0.4360
LOOP
C2 C1
DONE
0tB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg 3 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 C3 Cg 3 6 4 3 1.545 108.990 139.13 0.1740
9 H3 H1 E 8 6 4 1.091 106.777 -66.52 0.0000
10 C4 Cg 3 8 6 4 1.547 114.890 51.64 0.3140
11 H4 H1 E 10 8 6 1.091 109.570 -171.49 0.0000
12 C5 Cg 3 10 8 6 1.547 110.218 -50.96 0.0310
13 H5 H1 E 12 10 8 1.092 107.394 -65.47 0.0000
14 C6 Cg 3 12 10 8 1.535 115.137 174.64 0.3490
15 H61 H1 E 14 12 10 1.090 110.278 53.24 0.0000
16 H62 H1 E 14 12 10 1.091 110.886 -67.01 0.0000
17 O6 Oh S 14 12 10 1.434 108.837 172.73 -0.6660
18 H6O Ho E 17 14 12 0.960 109.430 59.34 0.4060
19 O5 Os E 12 10 8 1.487 109.426 51.66 -0.3540
20 O4 Oh S 10 8 6 1.443 110.169 69.26 -0.6260
21 H4O Ho E 20 10 8 0.960 109.455 179.72 0.4130
22 O3 Oh S 8 6 4 1.439 110.677 177.92 -0.6780
23 H3O Ho E 22 8 6 0.960 109.373 -64.24 0.4250
24 O2 Oh S 6 4 3 1.444 109.193 -100.97 -0.6370
25 H2O Ho E 24 6 4 0.960 109.413 58.90 0.3970
LOOP
O5 C1
DONE
0tV INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.351 114.839 -132.95 0.4700
5 H1 H1 E 4 3 2 1.090 124.986 34.06 0.0000
6 O5 Os S 4 3 2 1.470 71.584 -66.23 -0.5160
7 C5 Cg 3 6 4 3 1.490 117.436 -68.78 0.3010
8 H5 H1 E 7 6 4 1.092 108.176 67.65 0.0000
9 C6 Cg 3 7 6 4 1.530 106.823 -175.86 0.0070
10 H61 Hc E 9 7 6 1.091 111.306 -56.97 0.0000
11 H62 Hc E 9 7 6 1.091 111.681 63.21 0.0000
12 H63 Hc E 9 7 6 1.091 111.485 -176.46 0.0000
13 C4 Cg 3 7 6 4 1.553 110.400 -51.43 0.3020
14 H4 H1 E 13 7 6 1.091 109.486 -67.87 0.0000
15 O4 Oh S 13 7 6 1.446 110.075 172.75 -0.7390
16 H4O Ho E 15 13 7 0.961 109.446 177.45 0.4390
17 C3 Cg 3 13 7 6 1.535 112.112 53.80 -0.0140
18 H31 Hc E 17 13 7 1.093 110.620 -177.58 0.0000
19 H32 Hc E 17 13 7 1.093 110.093 66.30 0.0000
20 C2 Cg B 17 13 7 1.535 111.168 -54.29 0.1910
21 H2 H1 E 20 17 13 1.091 108.971 171.23 0.0000
22 O2 Oh S 20 17 13 1.451 107.118 -72.88 -0.6720
23 H2O Ho E 22 20 17 0.962 109.923 -70.16 0.4250
LOOP
C2 C1
DONE
0tv INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 42.063 124.523 -153.51 0.4280
5 H1 H1 E 4 3 2 1.091 137.718 140.13 0.0000
6 C2 Cg 3 4 3 2 1.543 92.512 17.53 0.2080
7 H2 H1 E 6 4 3 1.091 110.018 85.50 0.0000
8 C3 Cg 3 6 4 3 1.538 110.852 -153.13 0.0070
9 H31 Hc E 8 6 4 1.092 110.440 174.77 0.0000
10 H32 Hc E 8 6 4 1.093 108.417 -70.21 0.0000
11 C4 Cg 3 8 6 4 1.542 111.976 51.41 0.2960
12 H4 H1 E 11 8 6 1.091 109.168 71.88 0.0000
13 C5 Cg 3 11 8 6 1.544 113.120 -50.24 0.2710
14 H5 H1 E 13 11 8 1.092 109.438 -67.05 0.0000
15 C6 Cg 3 13 11 8 1.530 114.414 170.77 0.0170
16 H61 Hc E 15 13 11 1.091 111.431 62.00 0.0000
17 H62 Hc E 15 13 11 1.091 111.279 -178.53 0.0000
18 H63 Hc E 15 13 11 1.091 111.734 -58.32 0.0000
19 O5 Os E 13 11 8 1.481 108.725 51.10 -0.4960
20 O4 Oh S 11 8 6 1.436 107.645 -170.11 -0.7290
21 H4O Ho E 20 11 8 0.960 109.450 -178.68 0.4250
22 O2 Oh S 6 4 3 1.442 110.000 -34.21 -0.6440
23 H2O Ho E 22 6 4 0.960 109.465 -179.91 0.4110
LOOP
O5 C1
DONE
0uA INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.331 115.066 -133.04 0.3630
5 H1 H2 E 4 3 2 1.090 112.585 40.61 0.0000
6 O5 Os S 4 3 2 1.464 75.208 -64.60 -0.5150
7 C5 Cg 3 6 4 3 1.503 115.778 174.97 0.2320
8 H5 H1 E 7 6 4 1.091 106.633 176.67 0.0000
9 C6 C B 7 6 4 1.591 118.545 -64.62 0.6970
10 O6B O2 E 9 7 6 1.255 117.111 177.25 -0.7570
11 O6A O2 E 9 7 6 1.252 118.306 0.19 -0.7570
12 C4 Cg 3 7 6 4 1.541 106.777 61.95 0.2230
13 H4 H1 E 12 7 6 1.092 108.348 60.65 0.0000
14 O4 Oh S 12 7 6 1.461 110.851 178.69 -0.7110
15 H4O Ho E 14 12 7 0.984 107.477 28.92 0.3970
16 C3 Cg 3 12 7 6 1.551 110.331 -57.99 0.4170
17 H3 H1 E 16 12 7 1.092 108.572 -66.35 0.0000
18 O3 Oh S 16 12 7 1.454 107.203 176.93 -0.7710
19 H3O Ho E 18 16 12 0.966 105.279 42.17 0.4170
20 C2 Cg B 16 12 7 1.555 113.490 54.77 0.2590
21 H2 H1 E 20 16 12 1.092 108.782 71.56 0.0000
22 O2 Oh S 20 16 12 1.469 110.384 -169.42 -0.6850
23 H2O Ho E 22 20 16 0.960 110.184 53.77 0.3850
LOOP
C2 C1
DONE
0uB INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.227 114.589 -133.46 0.2780
5 H1 H2 E 4 3 2 1.090 72.253 -57.04 0.0000
6 C2 Cg 3 4 3 2 1.557 131.485 -157.03 0.2890
7 H2 H1 E 6 4 3 1.091 107.118 137.49 0.0000
8 C3 Cg 3 6 4 3 1.545 111.752 -104.72 0.2860
9 H3 H1 E 8 6 4 1.091 110.248 64.55 0.0000
10 C4 Cg 3 8 6 4 1.552 109.635 -56.61 0.3080
11 H4 H1 E 10 8 6 1.092 107.907 -61.83 0.0000
12 C5 Cg 3 10 8 6 1.546 112.015 56.37 0.1940
13 H5 H1 E 12 10 8 1.091 107.278 -167.70 0.0000
14 C6 C B 12 10 8 1.581 111.637 77.65 0.7500
15 O6A O2 E 14 12 10 1.252 117.516 -129.70 -0.7830
16 O6B O2 E 14 12 10 1.255 117.682 48.62 -0.7830
17 O5 Os E 12 10 8 1.512 108.685 -52.87 -0.4300
18 O4 Oh S 10 8 6 1.456 110.245 -178.60 -0.7450
19 H4O Ho E 18 10 8 0.987 106.847 -97.51 0.4220
20 O3 Oh S 8 6 4 1.460 109.228 -175.94 -0.7550
21 H3O Ho E 20 8 6 0.968 105.498 164.14 0.4210
22 O2 Oh S 6 4 3 1.455 112.599 20.48 -0.6800
23 H2O Ho E 22 6 4 0.964 105.470 -160.22 0.4220
LOOP
O5 C1
DONE
0vA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.287 114.935 -133.03 0.3890
5 H1 H2 E 4 3 2 1.090 123.196 38.74 0.0000
6 O5 Os S 4 3 2 1.470 74.128 -62.95 -0.4660
7 C5 Cg 3 6 4 3 1.497 117.776 -69.87 0.1120
8 H5 H1 E 7 6 4 1.091 107.067 65.15 0.0000
9 C6 Cg 3 7 6 4 1.543 110.655 -179.51 0.3620
10 H61 H1 E 9 7 6 1.090 109.608 -176.18 0.0000
11 H62 H1 E 9 7 6 1.090 110.167 -57.43 0.0000
12 O6 Oh S 9 7 6 1.435 111.052 63.47 -0.7110
13 H6O Ho E 12 9 7 0.972 106.687 28.27 0.4240
14 C4 Cg 3 7 6 4 1.548 110.914 -51.03 0.3260
15 H4 H1 E 14 7 6 1.091 109.088 172.26 0.0000
16 O4 Oh S 14 7 6 1.450 110.237 -68.94 -0.7010
17 H4O Ho E 16 14 7 0.968 106.613 169.99 0.4420
18 C3 Cg 3 14 7 6 1.547 111.081 51.89 0.1760
19 H3 H1 E 18 14 7 1.091 107.961 63.63 0.0000
20 O3 Oh S 18 14 7 1.462 109.029 179.93 -0.6780
21 H3O Ho E 20 18 14 0.964 110.475 -178.25 0.4250
22 C2 Cg B 18 14 7 1.551 111.657 -55.51 0.3990
23 H2 H1 E 22 18 14 1.092 107.862 -63.61 0.0000
24 N2 Ng B 22 18 14 1.483 110.775 178.49 -0.5950
25 H2N H E 24 22 18 1.007 117.335 -40.12 0.2380
26 C2N C B 24 22 18 1.336 122.570 153.82 0.6250
27 O2N O E 26 24 22 1.227 121.897 -4.65 -0.6050
28 CME Cg 3 26 24 22 1.541 116.317 175.68 0.0320
29 H1M Hc E 28 26 24 1.091 109.644 69.76 0.0000
30 H2M Hc E 28 26 24 1.091 110.181 -170.34 0.0000
31 H3M Hc E 28 26 24 1.091 110.069 -50.52 0.0000
LOOP
C2 C1
DONE
0vB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.231 114.893 -133.39 0.3050
5 H1 H2 E 4 3 2 1.091 65.505 -67.74 0.0000
6 C2 Cg 3 4 3 2 1.568 137.512 -160.40 0.5440
7 H2 H1 E 6 4 3 1.091 107.972 -101.23 0.0000
8 C3 Cg 3 6 4 3 1.558 108.807 140.94 0.1520
9 H3 H1 E 8 6 4 1.092 108.105 -63.18 0.0000
10 C4 Cg 3 8 6 4 1.544 111.369 55.44 0.2530
11 H4 H1 E 10 8 6 1.091 109.237 -177.04 0.0000
12 C5 Cg 3 10 8 6 1.544 111.265 -56.32 0.1360
13 H5 H1 E 12 10 8 1.092 107.572 -64.67 0.0000
14 C6 Cg 3 12 10 8 1.539 112.869 176.15 0.3530
15 H61 H1 E 14 12 10 1.091 110.331 53.32 0.0000
16 H62 H1 E 14 12 10 1.090 110.929 -67.00 0.0000
17 O6 Oh S 14 12 10 1.436 108.896 172.76 -0.7140
18 H6O Ho E 17 14 12 0.962 107.704 58.75 0.4270
19 O5 Os E 12 10 8 1.495 110.300 52.85 -0.4080
20 O4 Oh S 10 8 6 1.445 108.904 64.66 -0.6900
21 H4O Ho E 20 10 8 0.968 108.059 41.88 0.4400
22 O3 Oh S 8 6 4 1.462 113.219 178.26 -0.6650
23 H3O Ho E 22 8 6 0.963 111.335 152.35 0.4150
24 N2 Ng B 6 4 3 1.481 111.069 18.97 -0.6860
25 H2N H E 24 6 4 1.005 118.080 45.86 0.2540
26 C2N C B 24 6 4 1.336 122.747 -132.36 0.5860
27 CME Cg 3 26 24 6 1.543 116.272 -179.61 0.0560
28 H1M Hc E 27 26 24 1.091 109.419 84.79 0.0000
29 H2M Hc E 27 26 24 1.091 109.982 -155.53 0.0000
30 H3M Hc E 27 26 24 1.092 110.645 -35.56 0.0000
31 O2N O E 26 24 6 1.227 122.402 -0.23 -0.5640
LOOP
O5 C1
DONE
0wA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.378 115.021 -132.94 0.4621
5 H1 H2 E 4 3 2 1.090 120.003 38.85 0.0000
6 O5 Os S 4 3 2 1.469 73.200 -63.39 -0.5415
7 C5 Cg 3 6 4 3 1.495 117.898 -69.31 0.2421
8 H5 H1 E 7 6 4 1.092 106.799 68.49 0.0000
9 C6 Cg 3 7 6 4 1.545 109.924 -175.74 0.2995
10 H61 H1 E 9 7 6 1.090 109.924 -166.49 0.0000
11 H62 H1 E 9 7 6 1.090 109.575 -48.28 0.0000
12 O6 Oh S 9 7 6 1.443 112.033 72.71 -0.6618
13 H6O Ho E 12 9 7 0.961 109.813 82.79 0.3959
14 C4 Cg 3 7 6 4 1.547 111.317 -49.02 0.3213
15 H4 H1 E 14 7 6 1.091 109.249 -73.83 0.0000
16 O4 Oh S 14 7 6 1.458 108.618 168.10 -0.7305
17 H4O Ho E 16 14 7 0.964 111.017 -68.07 0.4424
18 C3 Cg 3 14 7 6 1.550 112.664 46.63 0.2520
19 H3 H1 E 18 14 7 1.091 108.491 68.12 0.0000
20 O3 Oh S 18 14 7 1.455 109.482 -174.62 -0.6987
21 H3O Ho E 20 18 14 0.965 109.543 -47.09 0.4159
22 C2 Cg B 18 14 7 1.549 112.400 -51.61 0.2750
23 H2 H1 E 22 18 14 1.092 108.473 171.95 0.0000
24 N2 Ng B 22 18 14 1.482 111.789 -70.12 -0.4751
25 H2N H E 24 22 18 1.007 117.562 12.93 0.2142
26 C2N C B 24 22 18 1.336 123.787 -162.76 0.5909
27 O2N O E 26 24 22 1.229 122.265 -3.32 -0.5757
28 CME Cg 3 26 24 22 1.539 115.681 177.62 -0.0340
29 H1M Hc E 28 26 24 1.091 109.868 -60.00 0.0000
30 H2M Hc E 28 26 24 1.091 110.252 -179.93 0.0000
31 H3M Hc E 28 26 24 1.091 109.810 60.19 0.0000
LOOP
C2 C1
DONE
0wB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.322 114.834 -133.45 0.3870
5 H1 H2 E 4 3 2 1.091 67.634 -69.01 0.0000
6 C2 Cg 3 4 3 2 1.557 139.933 -164.47 0.2940
7 H2 H1 E 6 4 3 1.092 107.791 25.05 0.0000
8 C3 Cg 3 6 4 3 1.550 108.254 141.57 0.2170
9 H3 H1 E 8 6 4 1.092 107.807 -64.62 0.0000
10 C4 Cg 3 8 6 4 1.551 112.012 54.98 0.2770
11 H4 H1 E 10 8 6 1.092 109.220 68.41 0.0000
12 C5 Cg 3 10 8 6 1.549 111.754 -52.70 0.3210
13 H5 H1 E 12 10 8 1.092 108.891 -67.49 0.0000
14 C6 Cg 3 12 10 8 1.542 112.546 172.10 0.2470
15 H61 H1 E 14 12 10 1.090 110.437 60.16 0.0000
16 H62 H1 E 14 12 10 1.091 110.098 -59.35 0.0000
17 O6 Oh S 14 12 10 1.442 110.379 -179.51 -0.6630
18 H6O Ho E 17 14 12 0.962 108.929 56.35 0.4130
19 O5 Os E 12 10 8 1.498 109.860 50.66 -0.4980
20 O4 Oh S 10 8 6 1.447 108.869 -173.07 -0.7430
21 H4O Ho E 20 10 8 0.968 107.478 -48.60 0.4390
22 O3 Oh S 8 6 4 1.458 111.031 177.66 -0.6580
23 H3O Ho E 22 8 6 0.972 110.221 24.88 0.4130
24 N2 Ng B 6 4 3 1.485 112.591 -94.31 -0.5580
25 H2N H E 24 6 4 1.007 117.378 -30.20 0.2650
26 C2N C B 24 6 4 1.337 123.528 147.74 0.5850
27 CME Cg 3 26 24 6 1.544 116.722 -177.13 0.0560
28 H1M Hc E 27 26 24 1.090 109.199 -104.92 0.0000
29 H2M Hc E 27 26 24 1.091 109.840 135.47 0.0000
30 H3M Hc E 27 26 24 1.092 111.211 15.23 0.0000
31 O2N O E 26 24 6 1.229 121.350 4.57 -0.6000
LOOP
O5 C1
DONE
0xA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.412 115.134 -132.97 0.4820
5 H1 H2 E 4 3 2 1.090 123.148 41.70 0.0000
6 O5 Os S 4 3 2 1.463 72.514 -59.75 -0.5880
7 C5 Cg 3 6 4 3 1.489 117.248 -67.03 0.3350
8 H5A H1 E 7 6 4 1.091 108.858 68.16 0.0000
9 H5E H1 E 7 6 4 1.090 108.909 -174.49 0.0000
10 C4 Cg 3 7 6 4 1.539 111.025 -53.24 0.2470
11 H4 H1 E 10 7 6 1.091 108.937 -68.60 0.0000
12 O4 Oh S 10 7 6 1.453 108.593 173.08 -0.7200
13 H4O Ho E 12 10 7 0.967 107.931 -176.07 0.4200
14 C3 Cg 3 10 7 6 1.547 110.634 51.97 0.3590
15 H3 H1 E 14 10 7 1.092 109.703 67.85 0.0000
16 O3 Oh S 14 10 7 1.451 108.617 -173.43 -0.7120
17 H3O Ho E 16 14 10 0.966 107.240 165.38 0.4210
18 C2 Cg B 14 10 7 1.543 112.192 -53.97 0.1970
19 H2 H1 E 18 14 10 1.091 108.478 -65.50 0.0000
20 O2 Oh S 18 14 10 1.464 110.541 176.58 -0.6560
21 H2O Ho E 20 18 14 0.967 109.241 -84.85 0.4090
LOOP
C2 C1
DONE
0xB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.464 114.825 -132.75 0.2480
5 H1 H2 E 4 3 2 1.091 66.134 -66.21 0.0000
6 C2 Cg 3 4 3 2 1.557 136.744 -161.60 0.4250
7 H2 H1 E 6 4 3 1.092 109.351 -93.35 0.0000
8 C3 Cg 3 6 4 3 1.547 111.138 145.56 0.2280
9 H3 H1 E 8 6 4 1.092 109.005 -68.97 0.0000
10 C4 Cg 3 8 6 4 1.546 111.370 51.34 0.2860
11 H4 H1 E 10 8 6 1.091 109.653 67.94 0.0000
12 C5 Cg 3 10 8 6 1.541 111.571 -53.00 0.3030
13 H5A H1 E 12 10 8 1.092 110.518 -66.11 0.0000
14 H5E H1 E 12 10 8 1.090 110.176 174.39 0.0000
15 O5 Os E 12 10 8 1.482 109.795 54.26 -0.4470
16 O4 Oh S 10 8 6 1.447 109.213 -172.90 -0.7230
17 H4O Ho E 16 10 8 0.966 107.383 -51.48 0.4300
18 O3 Oh S 8 6 4 1.458 109.994 172.23 -0.6820
19 H3O Ho E 18 8 6 0.967 108.169 55.63 0.4270
20 O2 Oh S 6 4 3 1.452 109.095 25.68 -0.6990
21 H2O Ho E 20 6 4 0.965 106.939 -49.61 0.3980
LOOP
O5 C1
DONE
0xD INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.594 114.988 -132.87 0.4280
5 H1 H1 E 4 3 2 1.090 132.003 29.40 0.0000
6 O4 Os S 4 3 2 1.561 69.372 -71.25 -0.5070
7 C4 Cg 3 6 4 3 1.593 113.153 -99.38 0.2370
8 H4 H1 E 7 6 4 1.090 108.789 116.35 0.0000
9 C5 Cg 3 7 6 4 1.543 109.223 -125.39 0.2800
10 H51 H1 E 9 7 6 1.090 111.083 166.42 0.0000
11 H52 H1 E 9 7 6 1.090 109.111 -74.77 0.0000
12 O5 Oh S 9 7 6 1.441 110.629 44.19 -0.6780
13 H5O Ho E 12 9 7 0.962 107.911 -53.44 0.4220
14 C3 Cg 3 7 6 4 1.626 104.822 0.57 0.3020
15 H3 H1 E 14 7 6 1.091 107.635 106.72 0.0000
16 O3 Oh S 14 7 6 1.447 113.750 -133.56 -0.7140
17 H3O Ho E 16 14 7 0.963 109.068 176.23 0.4260
18 C2 Cg B 14 7 6 1.634 107.473 -10.20 0.2480
19 H2 H1 E 18 14 7 1.091 108.718 -100.07 0.0000
20 O2 Oh S 18 14 7 1.455 111.279 140.82 -0.6570
21 H2O Ho E 20 18 14 0.967 107.830 -104.95 0.4070
LOOP
C2 C1
DONE
0xU INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.174 114.918 -132.94 0.3880
5 H1 H2 E 4 3 2 1.090 35.467 -62.24 0.0000
6 C2 Cg 3 4 3 2 1.632 131.215 -128.66 0.3820
7 H2 H1 E 6 4 3 1.091 109.438 -95.81 0.0000
8 C3 Cg 3 6 4 3 1.636 107.260 145.70 0.2240
9 H3 H1 E 8 6 4 1.091 109.533 -107.12 0.0000
10 C4 Cg 3 8 6 4 1.626 107.660 10.02 0.1420
11 H4 H1 E 10 8 6 1.091 108.631 -124.08 0.0000
12 C5 Cg 3 10 8 6 1.541 115.732 113.08 0.2850
13 H51 H1 E 12 10 8 1.090 109.960 60.60 0.0000
14 H52 H1 E 12 10 8 1.091 110.415 -59.03 0.0000
15 O5 Oh S 12 10 8 1.439 110.113 -179.62 -0.6350
16 H5O Ho E 15 12 10 0.959 109.575 -48.10 0.3960
17 O4 Os E 10 8 6 1.585 104.984 -8.09 -0.4270
18 O3 Oh S 8 6 4 1.450 111.002 133.42 -0.6620
19 H3O Ho E 18 8 6 0.964 109.399 70.42 0.4120
20 O2 Oh S 6 4 3 1.454 112.254 24.53 -0.7310
21 H2O Ho E 20 6 4 0.963 109.130 -68.38 0.4200
LOOP
O4 C1
DONE
0yA INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.337 115.005 -132.87 0.4680
5 H1 H2 E 4 3 2 1.090 120.341 36.84 0.0000
6 O5 Os S 4 3 2 1.463 68.163 -62.20 -0.5680
7 C5 Cg 3 6 4 3 1.500 118.098 -74.28 0.2460
8 H5 H1 E 7 6 4 1.092 107.019 68.26 0.0000
9 C6 Cg 3 7 6 4 1.544 110.054 -175.47 0.3280
10 H61 H1 E 9 7 6 1.090 109.603 -54.04 0.0000
11 H62 H1 E 9 7 6 1.090 110.073 -172.40 0.0000
12 O6 Oh S 9 7 6 1.444 111.701 66.58 -0.6880
13 H6O Ho E 12 9 7 0.960 109.460 -179.56 0.4210
14 C4 Cg 3 7 6 4 1.544 111.305 -49.64 0.3220
15 H4 H1 E 14 7 6 1.091 109.775 -72.41 0.0000
16 O4 Oh S 14 7 6 1.448 108.615 168.54 -0.7330
17 H4O Ho E 16 14 7 0.967 106.060 -170.93 0.4490
18 C3 Cg 3 14 7 6 1.546 112.523 49.14 0.1650
19 H3 H1 E 18 14 7 1.092 109.255 68.91 0.0000
20 O3 Oh S 18 14 7 1.457 108.091 -173.19 -0.6300
21 H3O Ho E 20 18 14 0.977 109.893 135.62 0.4130
22 C2 Cg B 18 14 7 1.547 112.211 -51.74 0.2450
23 H2 H1 E 22 18 14 1.092 107.659 -66.49 0.0000
24 N2 Ng B 22 18 14 1.486 111.285 175.94 -0.5520
25 H2N H E 24 22 18 1.009 115.982 -94.71 0.2360
26 C2N C B 24 22 18 1.338 124.714 81.84 0.5880
27 O2N O E 26 24 22 1.228 121.379 -4.88 -0.5790
28 CME Cg 3 26 24 22 1.544 117.110 175.73 0.0630
29 H1M Hc E 28 26 24 1.090 109.379 118.32 0.0000
30 H2M Hc E 28 26 24 1.091 109.387 -122.31 0.0000
31 H3M Hc E 28 26 24 1.092 111.363 -2.06 0.0000
LOOP
C2 C1
DONE
0yB INT 0
CORRECT OMIT DU BEG
0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.305 114.875 -133.41 0.2870
5 H1 H2 E 4 3 2 1.091 64.963 -66.48 0.0000
6 C2 Cg 3 4 3 2 1.566 139.050 -158.60 0.4800
7 H2 H1 E 6 4 3 1.092 107.602 -101.85 0.0000
8 C3 Cg 3 6 4 3 1.555 109.532 140.96 0.1800
9 H3 H1 E 8 6 4 1.092 108.635 -66.15 0.0000
10 C4 Cg 3 8 6 4 1.547 110.847 53.41 0.3020
11 H4 H1 E 10 8 6 1.092 109.529 65.76 0.0000
12 C5 Cg 3 10 8 6 1.542 111.743 -55.82 0.2080
13 H5 H1 E 12 10 8 1.092 109.079 -62.53 0.0000
14 C6 Cg 3 12 10 8 1.540 112.556 176.83 0.2890
15 H61 H1 E 14 12 10 1.090 110.526 60.82 0.0000
16 H62 H1 E 14 12 10 1.091 110.298 -59.01 0.0000
17 O6 Oh S 14 12 10 1.439 109.712 -179.18 -0.6890
18 H6O Ho E 17 14 12 0.961 108.379 54.80 0.4240
19 O5 Os E 12 10 8 1.493 108.679 55.34 -0.4330
20 O4 Oh S 10 8 6 1.444 108.505 -175.54 -0.7160
21 H4O Ho E 20 10 8 0.967 106.789 -52.54 0.4360
22 O3 Oh S 8 6 4 1.462 112.173 174.68 -0.6810
23 H3O Ho E 22 8 6 0.964 110.728 66.33 0.4230
24 N2 Ng B 6 4 3 1.484 111.108 18.10 -0.7220
25 H2N H E 24 6 4 1.006 117.592 43.53 0.3000
26 C2N C B 24 6 4 1.336 123.143 -126.00 0.6480
27 CME Cg 3 26 24 6 1.542 116.434 175.43 0.0340
28 H1M Hc E 27 26 24 1.091 109.335 82.58 0.0000
29 H2M Hc E 27 26 24 1.091 110.076 -157.79 0.0000
30 H3M Hc E 27 26 24 1.092 110.630 -37.74 0.0000
31 O2N O E 26 24 6 1.226 122.116 -6.61 -0.5760
LOOP
O5 C1
DONE
0zA INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.493 117.276 -129.39 0.3980
5 H1 H2 E 4 3 2 1.090 32.570 152.52 0.0000
6 O5 Os S 4 3 2 1.458 108.055 55.77 -0.5440
7 C5 Cg 3 6 4 3 1.515 118.156 -151.21 0.1870
8 H5 H1 E 7 6 4 1.092 105.702 62.73 0.0000
9 C6 C B 7 6 4 1.597 117.705 178.26 0.7980
10 O6B O2 E 9 7 6 1.252 118.424 -16.19 -0.7870
11 O6A O2 E 9 7 6 1.259 117.589 166.79 -0.7870
12 C4 Cg 3 7 6 4 1.550 110.155 -52.17 0.1930
13 H4 H1 E 12 7 6 1.091 108.479 -74.33 0.0000
14 O4 Oh S 12 7 6 1.452 107.400 168.29 -0.6820
15 H4O Ho E 14 12 7 0.983 105.869 47.72 0.4220
16 C3 Cg 3 12 7 6 1.555 113.190 47.11 0.3000
17 H3 H1 E 16 12 7 1.092 108.970 72.43 0.0000
18 O3 Oh S 16 12 7 1.458 110.360 -168.45 -0.7430
19 H3O Ho E 18 16 12 0.962 107.044 172.72 0.4390
20 C2 Cg B 16 12 7 1.547 112.948 -48.46 0.3260
21 H2 H1 E 20 16 12 1.091 108.371 -69.20 0.0000
22 O2 Oh S 20 16 12 1.467 110.467 172.90 -0.7320
23 H2O Ho E 22 20 16 0.965 107.076 -83.83 0.4060
LOOP
C2 C1
DONE
0zB INT 0
CORRECT OMIT DU BEG
-0.8060
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 115.039 -133.39 0.2510
5 H1 H2 E 4 3 2 1.091 63.566 -66.62 0.0000
6 C2 Cg 3 4 3 2 1.556 136.448 -159.63 0.4110
7 H2 H1 E 6 4 3 1.092 109.113 -96.54 0.0000
8 C3 Cg 3 6 4 3 1.551 111.345 142.85 0.2660
9 H3 H1 E 8 6 4 1.092 108.729 -71.83 0.0000
10 C4 Cg 3 8 6 4 1.552 112.291 48.56 0.2670
11 H4 H1 E 10 8 6 1.092 109.244 70.35 0.0000
12 C5 Cg 3 10 8 6 1.542 113.280 -50.40 0.0750
13 H5 H1 E 12 10 8 1.092 107.974 -63.51 0.0000
14 C6 C B 12 10 8 1.584 111.106 -178.60 0.8930
15 O6A O2 E 14 12 10 1.252 118.262 -140.20 -0.8180
16 O6B O2 E 14 12 10 1.258 117.333 41.17 -0.8180
17 O5 Os E 12 10 8 1.502 108.303 51.87 -0.4130
18 O4 Oh S 10 8 6 1.449 108.610 -171.54 -0.7330
19 H4O Ho E 18 10 8 0.987 105.292 166.54 0.4290
20 O3 Oh S 8 6 4 1.459 111.009 168.82 -0.7010
21 H3O Ho E 20 8 6 0.966 105.666 -171.43 0.4030
22 O2 Oh S 6 4 3 1.458 107.250 21.17 -0.7400
23 H2O Ho E 22 6 4 0.962 106.072 -51.06 0.4220
LOOP
O5 C1
DONE
1AA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 25.780 81.629 -135.54 -0.3880
5 C1 Cg B 4 3 2 1.435 84.266 39.24 0.4480
6 H1 H2 E 5 4 3 1.091 107.546 19.38 0.0000
7 C2 Cg 3 5 4 3 1.547 108.886 -98.71 0.2680
8 H2 H1 E 7 5 4 1.092 109.940 43.79 0.0000
9 C3 Cg 3 7 5 4 1.543 115.075 -80.94 0.3350
10 H3 H1 E 9 7 5 1.091 110.217 -167.01 0.0000
11 C4 Cg 3 9 7 5 1.543 111.532 -44.66 0.2450
12 H4 H1 E 11 9 7 1.091 108.482 -68.58 0.0000
13 C5 Cg 3 11 9 7 1.532 112.944 51.47 0.3790
14 H5E H1 E 13 11 9 1.090 110.447 -175.26 0.0000
15 H5A H1 E 13 11 9 1.091 110.923 64.60 0.0000
16 O5 Os E 13 11 9 1.479 108.551 -55.64 -0.5640
17 O4 Oh S 11 9 7 1.437 110.197 173.67 -0.7480
18 H4O Ho E 17 11 9 0.960 109.412 -61.02 0.4340
19 O3 Oh S 9 7 5 1.441 106.949 75.66 -0.7720
20 H3O Ho E 19 9 7 0.960 109.473 59.41 0.4610
21 O2 Oh S 7 5 4 1.437 106.880 160.06 -0.7350
22 H2O Ho E 21 7 5 0.960 109.480 -177.98 0.4430
LOOP
O5 C1
DONE
1AB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.409 99.400 -133.61 -0.3880
5 C1 Cg B 4 3 2 1.417 132.953 -74.50 0.3790
6 H1 H2 E 5 4 3 1.091 108.381 -18.88 0.0000
7 O5 Os S 5 4 3 1.466 106.275 -135.62 -0.5290
8 C5 Cg 3 7 5 4 1.485 114.414 -178.19 0.3560
9 H5E H1 E 8 7 5 1.090 108.916 176.99 0.0000
10 H5A H1 E 8 7 5 1.091 109.188 -65.32 0.0000
11 C4 Cg 3 8 7 5 1.546 110.184 56.30 0.2240
12 H4 H1 E 11 8 7 1.091 108.191 65.24 0.0000
13 O4 Oh S 11 8 7 1.458 110.447 -177.16 -0.7300
14 H4O Ho E 13 11 8 0.964 110.010 -151.69 0.4400
15 C3 Cg 3 11 8 7 1.551 111.087 -54.27 0.2970
16 H3 H1 E 15 11 8 1.091 109.244 175.99 0.0000
17 O3 Oh S 15 11 8 1.454 109.593 -65.87 -0.6680
18 H3O Ho E 17 15 11 0.966 107.607 -47.31 0.4070
19 C2 Cg B 15 11 8 1.543 111.469 54.81 0.3000
20 H2 H1 E 19 15 11 1.091 109.979 -173.48 0.0000
21 O2 Oh S 19 15 11 1.460 108.027 68.57 -0.7000
22 H2O Ho E 21 19 15 0.965 107.206 -167.33 0.4180
LOOP
C2 C1
DONE
1AD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.692 100.055 -133.45 -0.3880
5 C1 Cg B 4 3 2 1.417 126.585 -59.91 0.3680
6 H1 H2 E 5 4 3 1.090 110.639 -144.02 0.0000
7 C2 Cg 3 5 4 3 1.632 110.934 91.51 0.2780
8 H2 H1 E 7 5 4 1.092 109.712 1.69 0.0000
9 C3 Cg 3 7 5 4 1.638 107.428 -117.37 0.3700
10 H3 H1 E 9 7 5 1.091 109.719 -115.23 0.0000
11 C4 Cg 3 9 7 5 1.617 107.830 4.89 0.1470
12 H4 H1 E 11 9 7 1.091 109.995 109.41 0.0000
13 C5 Cg 3 11 9 7 1.531 113.111 -128.33 0.3380
14 H52 H1 E 13 11 9 1.090 110.286 -56.49 0.0000
15 H51 H1 E 13 11 9 1.090 110.161 -176.14 0.0000
16 O5 Oh S 13 11 9 1.438 109.271 63.95 -0.6960
17 H5O Ho E 16 13 11 0.963 107.879 70.16 0.3990
18 O4 Os E 11 9 7 1.585 105.385 -6.88 -0.4530
19 O3 Oh S 9 7 5 1.445 110.901 124.99 -0.7030
20 H3O Ho E 19 9 7 0.962 109.189 61.81 0.4040
21 O2 Oh S 7 5 4 1.459 111.670 121.57 -0.6880
22 H2O Ho E 21 7 5 0.962 111.196 52.33 0.4300
LOOP
O4 C1
DONE
1AU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.345 99.462 -135.08 -0.3880
5 C1 Cg B 4 3 2 1.422 157.641 -50.72 0.4770
6 H1 H2 E 5 4 3 1.090 111.169 -44.66 0.0000
7 O4 Os S 5 4 3 1.559 105.184 -164.95 -0.5320
8 C4 Cg 3 7 5 4 1.592 113.400 -111.70 0.3270
9 H4 H1 E 8 7 5 1.091 108.372 -116.19 0.0000
10 C5 Cg 3 8 7 5 1.536 109.955 123.86 0.2270
11 H52 H1 E 10 8 7 1.090 110.003 -58.66 0.0000
12 H51 H1 E 10 8 7 1.090 110.273 -178.18 0.0000
13 O5 Oh S 10 8 7 1.440 109.976 61.40 -0.6500
14 H5O Ho E 13 10 8 0.963 109.100 -48.75 0.3970
15 C3 Cg 3 8 7 5 1.623 104.988 1.35 0.2150
16 H3 H1 E 15 8 7 1.091 109.455 110.64 0.0000
17 O3 Oh S 15 8 7 1.449 110.805 -129.50 -0.7280
18 H3O Ho E 17 15 8 0.965 109.557 -174.52 0.4370
19 C2 Cg B 15 8 7 1.636 107.636 -8.35 0.3280
20 H2 H1 E 19 15 8 1.091 108.941 -103.94 0.0000
21 O2 Oh S 19 15 8 1.456 110.454 137.54 -0.7210
22 H2O Ho E 21 19 15 0.967 108.079 -107.31 0.4170
LOOP
C2 C1
DONE
1BA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.626 99.556 -130.20 0.1300
5 C3 Cg 3 4 3 2 1.559 106.735 7.30 0.3720
6 H3 H1 E 5 4 3 1.092 108.445 98.55 0.0000
7 C4 Cg 3 5 4 3 1.548 110.877 -143.81 0.3350
8 H4 H1 E 7 5 4 1.092 109.910 62.48 0.0000
9 C5 Cg 3 7 5 4 1.550 109.394 -58.65 0.2240
10 H5 H1 E 9 7 5 1.091 109.416 -64.57 0.0000
11 C6 Cg 3 9 7 5 1.544 111.673 55.39 0.3410
12 H6E H1 E 11 9 7 1.090 110.000 -171.23 0.0000
13 H6A H1 E 11 9 7 1.091 110.069 70.07 0.0000
14 O6 Os E 11 9 7 1.491 111.103 -50.56 -0.5070
15 O5 Oh S 9 7 5 1.455 110.457 176.19 -0.6900
16 H5O Ho E 15 9 7 0.963 109.307 77.89 0.4290
17 O4 Oh S 7 5 4 1.461 109.578 -178.37 -0.7240
18 H4O Ho E 17 7 5 0.964 108.580 -150.69 0.4210
19 O3 Oh S 5 4 3 1.456 111.120 -18.72 -0.7160
20 H3O Ho E 19 5 4 0.964 107.033 -168.33 0.4300
21 C1 Cg M 4 3 2 1.560 35.236 112.47 0.4280
22 H12 H1 E 21 4 3 1.091 110.098 -13.70 0.0000
23 H11 H1 E 21 4 3 1.090 109.813 104.72 0.0000
24 O1 Os M 21 4 3 1.443 112.003 -134.19 -0.4730
LOOP
O6 C2
DONE
1BB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.404 98.269 -136.13 0.2270
5 O6 Os S 4 3 2 1.482 134.628 169.57 -0.4770
6 C6 Cg 3 5 4 3 1.485 116.916 144.77 0.3110
7 H6E H1 E 6 5 4 1.090 109.104 176.90 0.0000
8 H6A H1 E 6 5 4 1.091 109.162 -65.19 0.0000
9 C5 Cg 3 6 5 4 1.543 109.751 56.11 0.3400
10 H5 H1 E 9 6 5 1.091 108.952 69.35 0.0000
11 O5 Oh S 9 6 5 1.444 108.793 -172.08 -0.7200
12 H5O Ho E 11 9 6 0.966 106.322 170.63 0.4290
13 C4 Cg 3 9 6 5 1.545 112.662 -52.43 0.1080
14 H4 H1 E 13 9 6 1.092 109.257 -67.90 0.0000
15 O4 Oh S 13 9 6 1.460 109.081 173.87 -0.6750
16 H4O Ho E 15 13 9 0.968 108.634 -176.45 0.4350
17 C3 Cg B 13 9 6 1.550 110.670 52.18 0.4640
18 H3 H1 E 17 13 9 1.092 108.385 68.01 0.0000
19 O3 Oh S 17 13 9 1.453 108.659 -174.74 -0.7300
20 H3O Ho E 19 17 13 0.965 106.403 -179.38 0.4320
21 C1 Cg M 4 3 2 1.563 64.474 -94.95 0.2810
22 H12 H1 E 21 4 3 1.091 110.325 40.86 0.0000
23 H11 H1 E 21 4 3 1.090 110.121 159.57 0.0000
24 O1 Os M 21 4 3 1.444 111.743 -80.01 -0.4250
LOOP
C3 C2
DONE
1BD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410
5 C3 Cg 3 4 3 2 1.641 111.508 16.65 0.4400
6 H3 H1 E 5 4 3 1.090 108.442 20.90 0.0000
7 C4 Cg 3 5 4 3 1.636 106.644 136.55 0.2250
8 H4 H1 E 7 5 4 1.091 108.604 98.33 0.0000
9 C5 Cg 3 7 5 4 1.626 107.413 -17.56 0.2710
10 H5 H1 E 9 7 5 1.091 108.621 126.81 0.0000
11 C6 Cg 3 9 7 5 1.543 115.360 -109.99 0.2810
12 H62 H1 E 11 9 7 1.091 109.980 67.38 0.0000
13 H61 H1 E 11 9 7 1.090 110.249 -51.87 0.0000
14 O6 Oh S 11 9 7 1.443 110.886 -171.63 -0.6790
15 H6O Ho E 14 11 9 0.959 110.164 69.40 0.4110
16 O5 Os E 9 7 5 1.587 104.732 10.45 -0.4520
17 O4 Oh S 7 5 4 1.457 112.032 -142.43 -0.7100
18 H4O Ho E 17 7 5 0.965 109.577 -74.18 0.4350
19 O3 Oh S 5 4 3 1.453 115.892 -99.73 -0.7320
20 H3O Ho E 19 5 4 0.959 109.052 121.29 0.4040
21 C1 Cg M 4 3 2 1.546 4.633 -120.67 0.3130
22 H12 H1 E 21 4 3 1.090 110.325 114.28 0.0000
23 H11 H1 E 21 4 3 1.091 109.856 -126.60 0.0000
24 O1 Os M 21 4 3 1.443 110.871 -6.24 -0.4480
LOOP
O5 C2
DONE
1BU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470
5 O5 Os S 4 3 2 1.568 142.358 -178.86 -0.3850
6 C5 Cg 3 5 4 3 1.582 113.720 173.86 0.2100
7 H5 H1 E 6 5 4 1.091 108.799 -121.64 0.0000
8 C6 Cg 3 6 5 4 1.541 109.962 118.91 0.3320
9 H62 H1 E 8 6 5 1.090 110.302 -58.44 0.0000
10 H61 H1 E 8 6 5 1.090 109.861 -177.80 0.0000
11 O6 Oh S 8 6 5 1.442 110.695 62.46 -0.7010
12 H6O Ho E 11 8 6 0.959 110.169 52.94 0.4090
13 C4 Cg 3 6 5 4 1.624 104.801 -5.21 0.2830
14 H4 H1 E 13 6 5 1.091 107.561 -105.82 0.0000
15 O4 Oh S 13 6 5 1.453 112.691 135.08 -0.7550
16 H4O Ho E 15 13 6 0.964 109.402 171.47 0.4340
17 C3 Cg B 13 6 5 1.637 107.577 11.31 0.3820
18 H3 H1 E 17 13 6 1.091 108.163 103.95 0.0000
19 O3 Oh S 17 13 6 1.455 110.878 -138.10 -0.7420
20 H3O Ho E 19 17 13 0.963 108.479 -160.63 0.4260
21 C1 Cg M 4 3 2 1.553 52.999 -106.31 0.2990
22 H12 H1 E 21 4 3 1.091 110.361 37.48 0.0000
23 H11 H1 E 21 4 3 1.091 109.538 156.30 0.0000
24 O1 Os M 21 4 3 1.445 111.462 -83.60 -0.4390
LOOP
C3 C2
DONE
1CA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.591 99.421 -130.21 0.3450
5 C3 Cg 3 4 3 2 1.575 105.291 0.80 0.2470
6 H3 H1 E 5 4 3 1.092 108.668 -30.87 0.0000
7 C4 Cg 3 5 4 3 1.551 113.411 -152.18 0.3670
8 H4 H1 E 7 5 4 1.091 108.797 -167.01 0.0000
9 C5 Cg 3 7 5 4 1.544 112.343 -46.95 0.1950
10 H5 H1 E 9 7 5 1.091 108.612 -61.32 0.0000
11 C6 Cg 3 9 7 5 1.538 109.577 57.29 0.4370
12 H6E H1 E 11 9 7 1.090 109.936 -178.47 0.0000
13 H6A H1 E 11 9 7 1.091 110.981 62.19 0.0000
14 O6 Os E 11 9 7 1.483 109.646 -58.96 -0.6200
15 O5 Oh S 9 7 5 1.462 110.821 -179.28 -0.7090
16 H5O Ho E 15 9 7 0.964 110.741 154.55 0.4150
17 O4 Oh S 7 5 4 1.450 110.082 76.05 -0.7200
18 H4O Ho E 17 7 5 0.965 107.347 -174.93 0.3940
19 O3 Oh S 5 4 3 1.466 111.567 86.40 -0.6550
20 H3O Ho E 19 5 4 0.965 109.737 -159.40 0.4060
21 C1 Cg M 4 3 2 1.567 41.168 109.23 0.3860
22 H12 H1 E 21 4 3 1.091 109.446 -31.55 0.0000
23 H11 H1 E 21 4 3 1.091 110.132 86.62 0.0000
24 O1 Os M 21 4 3 1.446 112.801 -152.28 -0.4880
LOOP
O6 C2
DONE
1CB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.453 98.094 -136.06 0.2440
5 O6 Os S 4 3 2 1.480 134.325 169.15 -0.4600
6 C6 Cg 3 5 4 3 1.482 117.080 144.78 0.3650
7 H6E H1 E 6 5 4 1.090 108.978 178.11 0.0000
8 H6A H1 E 6 5 4 1.091 109.532 -63.87 0.0000
9 C5 Cg 3 6 5 4 1.539 109.460 57.67 0.1950
10 H5 H1 E 9 6 5 1.091 107.780 64.61 0.0000
11 O5 Oh S 9 6 5 1.457 110.279 -178.31 -0.6840
12 H5O Ho E 11 9 6 0.965 109.084 80.29 0.4150
13 C4 Cg 3 9 6 5 1.549 112.024 -54.46 0.3440
14 H4 H1 E 13 9 6 1.091 108.628 172.57 0.0000
15 O4 Oh S 13 9 6 1.459 109.986 -70.35 -0.6980
16 H4O Ho E 15 13 9 0.964 108.929 -144.70 0.4170
17 C3 Cg B 13 9 6 1.551 111.995 51.70 0.3170
18 H3 H1 E 17 13 9 1.091 109.680 -170.27 0.0000
19 O3 Oh S 17 13 9 1.453 106.815 73.47 -0.6970
20 H3O Ho E 19 17 13 0.968 105.774 -153.52 0.4070
21 C1 Cg M 4 3 2 1.563 63.216 -96.90 0.2970
22 H12 H1 E 21 4 3 1.091 110.065 46.56 0.0000
23 H11 H1 E 21 4 3 1.088 110.800 165.58 0.0000
24 O1 Os M 21 4 3 1.447 111.733 -74.36 -0.4620
LOOP
C3 C2
DONE
1CD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840
5 C3 Cg 3 4 3 2 1.638 108.658 19.86 0.2820
6 H3 H1 E 5 4 3 1.091 111.006 -104.35 0.0000
7 C4 Cg 3 5 4 3 1.638 106.495 134.41 0.3320
8 H4 H1 E 7 5 4 1.091 111.116 -136.07 0.0000
9 C5 Cg 3 7 5 4 1.621 107.987 -13.87 0.3090
10 H5 H1 E 9 7 5 1.092 110.544 126.66 0.0000
11 C6 Cg 3 9 7 5 1.538 111.506 -110.78 0.2650
12 H62 H1 E 11 9 7 1.091 109.952 69.16 0.0000
13 H61 H1 E 11 9 7 1.090 109.956 -49.70 0.0000
14 O6 Oh S 11 9 7 1.442 111.246 -169.72 -0.6640
15 H6O Ho E 14 11 9 0.960 110.855 67.48 0.4120
16 O5 Os E 9 7 5 1.584 104.926 8.85 -0.4980
17 O4 Oh S 7 5 4 1.453 108.919 105.00 -0.7840
18 H4O Ho E 17 7 5 0.965 110.375 -49.86 0.4440
19 O3 Oh S 5 4 3 1.460 111.917 16.34 -0.7160
20 H3O Ho E 19 5 4 0.965 109.355 -165.56 0.4320
21 C1 Cg M 4 3 2 1.556 9.626 -136.04 0.3700
22 H12 H1 E 21 4 3 1.091 109.651 88.60 0.0000
23 H11 H1 E 21 4 3 1.091 110.210 -152.55 0.0000
24 O1 Os M 21 4 3 1.441 111.328 -31.57 -0.4680
LOOP
O5 C2
DONE
1CU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390
5 O5 Os S 4 3 2 1.575 147.962 122.92 -0.4490
6 C5 Cg 3 5 4 3 1.577 112.749 -165.42 0.3100
7 H5 H1 E 6 5 4 1.092 109.362 -121.32 0.0000
8 C6 Cg 3 6 5 4 1.529 108.415 119.08 0.2720
9 H62 H1 E 8 6 5 1.091 110.618 -56.09 0.0000
10 H61 H1 E 8 6 5 1.090 110.315 -176.31 0.0000
11 O6 Oh S 8 6 5 1.433 108.667 64.08 -0.6520
12 H6O Ho E 11 8 6 0.960 109.494 59.32 0.3970
13 C4 Cg 3 6 5 4 1.622 105.503 -1.90 0.2930
14 H4 H1 E 13 6 5 1.092 112.170 133.69 0.0000
15 O4 Oh S 13 6 5 1.434 107.738 -106.47 -0.7630
16 H4O Ho E 15 13 6 0.960 109.480 -62.64 0.4310
17 C3 Cg B 13 6 5 1.624 107.882 8.77 0.3330
18 H3 H1 E 17 13 6 1.091 112.343 -135.61 0.0000
19 O3 Oh S 17 13 6 1.439 105.085 106.18 -0.6910
20 H3O Ho E 19 17 13 0.960 109.418 -177.11 0.4100
21 C1 Cg M 4 3 2 1.537 69.500 -144.67 0.2870
22 H12 H1 E 21 4 3 1.091 110.638 29.87 0.0000
23 H11 H1 E 21 4 3 1.091 109.952 149.16 0.0000
24 O1 Os M 21 4 3 1.437 110.256 -91.14 -0.4170
LOOP
C3 C2
DONE
1DA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.458 99.732 -133.78 -0.3880
5 C1 Cg B 4 3 2 1.420 138.710 -56.92 0.3980
6 H1 H2 E 5 4 3 1.090 108.214 -159.17 0.0000
7 C2 Cg 3 5 4 3 1.559 110.542 81.22 0.2460
8 H2 H1 E 7 5 4 1.091 109.379 49.31 0.0000
9 C3 Cg 3 7 5 4 1.549 110.494 -71.00 0.1840
10 H3 H1 E 9 7 5 1.091 107.825 63.24 0.0000
11 C4 Cg 3 9 7 5 1.545 111.008 -55.58 0.3510
12 H4 H1 E 11 9 7 1.091 110.279 -64.03 0.0000
13 C5 Cg 3 11 9 7 1.543 110.247 57.45 0.2750
14 H5E H1 E 13 11 9 1.090 110.034 -173.80 0.0000
15 H5A H1 E 13 11 9 1.092 109.852 67.71 0.0000
16 O5 Os E 13 11 9 1.490 111.684 -52.70 -0.4870
17 O4 Oh S 11 9 7 1.447 108.954 176.38 -0.7110
18 H4O Ho E 17 11 9 0.966 106.152 48.96 0.4220
19 O3 Oh S 9 7 5 1.459 111.377 -179.63 -0.6550
20 H3O Ho E 19 9 7 0.962 110.146 -45.63 0.4170
21 O2 Oh S 7 5 4 1.458 109.515 167.37 -0.6780
22 H2O Ho E 21 7 5 0.962 110.757 -69.34 0.4320
LOOP
O5 C1
DONE
1DB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.319 99.865 -133.99 -0.3880
5 C1 Cg B 4 3 2 1.435 104.422 97.39 0.4480
6 H1 H2 E 5 4 3 1.091 107.722 135.93 0.0000
7 O5 Os S 5 4 3 1.480 112.041 16.66 -0.5190
8 C5 Cg 3 7 5 4 1.480 115.118 177.97 0.2750
9 H5E H1 E 8 7 5 1.090 109.162 177.52 0.0000
10 H5A H1 E 8 7 5 1.092 108.688 -64.77 0.0000
11 C4 Cg 3 8 7 5 1.539 110.071 56.42 0.3350
12 H4 H1 E 11 8 7 1.091 109.494 72.24 0.0000
13 O4 Oh S 11 8 7 1.436 107.087 -169.38 -0.7090
14 H4O Ho E 13 11 8 0.960 109.449 -179.03 0.4360
15 C3 Cg 3 11 8 7 1.543 111.797 -50.34 0.2010
16 H3 H1 E 15 11 8 1.092 109.081 -68.08 0.0000
17 O3 Oh S 15 11 8 1.440 109.833 173.78 -0.7010
18 H3O Ho E 17 15 11 0.960 109.476 58.38 0.4320
19 C2 Cg B 15 11 8 1.543 112.432 51.79 0.2260
20 H2 H1 E 19 15 11 1.091 110.138 -175.60 0.0000
21 O2 Oh S 19 15 11 1.446 109.378 64.40 -0.6450
22 H2O Ho E 21 19 15 0.960 109.425 -178.57 0.4150
LOOP
C2 C1
DONE
1DD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.369 99.672 -133.85 -0.3880
5 C1 Cg B 4 3 2 1.420 137.686 -61.45 0.3800
6 H1 H1 E 5 4 3 1.090 110.279 -142.65 0.0000
7 C2 Cg 3 5 4 3 1.631 110.229 93.22 0.2290
8 H2 H1 E 7 5 4 1.091 108.957 -12.15 0.0000
9 C3 Cg 3 7 5 4 1.641 106.976 -127.83 0.2980
10 H3 H1 E 9 7 5 1.090 111.055 137.68 0.0000
11 C4 Cg 3 9 7 5 1.624 106.916 15.94 0.1890
12 H4 H1 E 11 9 7 1.091 107.278 99.07 0.0000
13 C5 Cg 3 11 9 7 1.537 117.355 -138.29 0.3050
14 H52 H1 E 13 11 9 1.090 110.349 -57.47 0.0000
15 H51 H1 E 13 11 9 1.090 110.600 62.82 0.0000
16 O5 Oh S 13 11 9 1.438 108.908 -177.29 -0.6970
17 H5O Ho E 16 13 11 0.962 108.141 -56.44 0.4140
18 O4 Os E 11 9 7 1.588 104.960 -15.19 -0.4230
19 O3 Oh S 9 7 5 1.446 108.928 -102.08 -0.6780
20 H3O Ho E 19 9 7 0.969 106.468 -24.27 0.4170
21 O2 Oh S 7 5 4 1.459 112.707 107.38 -0.6510
22 H2O Ho E 21 7 5 0.964 109.258 -67.04 0.4110
LOOP
O4 C1
DONE
1DU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.990 98.521 -132.34 -0.3880
5 C1 Cg B 4 3 2 1.419 107.468 -90.23 0.4360
6 H1 H2 E 5 4 3 1.090 110.300 -16.35 0.0000
7 O4 Os S 5 4 3 1.554 107.434 -135.50 -0.5170
8 C4 Cg 3 7 5 4 1.588 113.584 -126.31 0.1350
9 H4 H1 E 8 7 5 1.091 108.738 -120.59 0.0000
10 C5 Cg 3 8 7 5 1.542 110.504 119.77 0.3730
11 H52 H1 E 10 8 7 1.091 110.456 -60.02 0.0000
12 H51 H1 E 10 8 7 1.090 109.887 -179.59 0.0000
13 O5 Oh S 10 8 7 1.439 110.322 60.67 -0.7250
14 H5O Ho E 13 10 8 0.959 109.321 36.11 0.4180
15 C3 Cg 3 8 7 5 1.620 104.668 -4.25 0.3000
16 H3 H1 E 15 8 7 1.091 107.749 -104.45 0.0000
17 O3 Oh S 15 8 7 1.446 112.944 136.27 -0.6420
18 H3O Ho E 17 15 8 0.970 106.239 -112.71 0.4050
19 C2 Cg B 15 8 7 1.642 107.806 11.75 0.2840
20 H2 H1 E 19 15 8 1.089 110.775 -134.90 0.0000
21 O2 Oh S 19 15 8 1.464 109.295 105.12 -0.6800
22 H2O Ho E 21 19 15 0.969 107.470 -139.03 0.4070
LOOP
C2 C1
DONE
1EA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 25.838 81.377 -135.58 -0.3880
5 C1 Cg B 4 3 2 1.434 73.241 41.28 0.4800
6 H1 H2 E 5 4 3 1.091 107.563 14.90 0.0000
7 C2 Cg 3 5 4 3 1.545 109.021 -103.30 0.1790
8 H2 H1 E 7 5 4 1.092 109.966 44.15 0.0000
9 C3 Cg 3 7 5 4 1.541 114.896 -80.54 0.3280
10 H3 H1 E 9 7 5 1.091 110.106 -167.45 0.0000
11 C4 Cg 3 9 7 5 1.544 111.809 -45.05 0.2610
12 H4 H1 E 11 9 7 1.091 108.188 -68.68 0.0000
13 C5 Cg 3 11 9 7 1.541 113.133 51.50 0.3740
14 H5 H1 E 13 11 9 1.092 109.237 63.30 0.0000
15 C6 Cg 3 13 11 9 1.535 114.012 -174.39 0.2590
16 H62 H1 E 15 13 11 1.090 110.525 -56.55 0.0000
17 H61 H1 E 15 13 11 1.091 110.727 63.66 0.0000
18 O6 Oh S 15 13 11 1.434 108.916 -175.95 -0.6630
19 H6O Ho E 18 15 13 0.960 109.470 59.69 0.4060
20 O5 Os E 13 11 9 1.485 107.816 -54.81 -0.5870
21 O4 Oh S 11 9 7 1.439 109.304 174.29 -0.7210
22 H4O Ho E 21 11 9 0.960 109.412 -61.37 0.4150
23 O3 Oh S 9 7 5 1.442 106.866 75.38 -0.7140
24 H3O Ho E 23 9 7 0.960 109.461 58.71 0.4200
25 O2 Oh S 7 5 4 1.437 106.903 160.50 -0.6900
26 H2O Ho E 25 7 5 0.960 109.486 -57.88 0.4470
LOOP
O5 C1
DONE
1EB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.389 99.377 -133.72 -0.3880
5 C1 Cg B 4 3 2 1.414 134.081 -74.56 0.4880
6 H1 H2 E 5 4 3 1.090 108.616 -18.76 0.0000
7 O5 Os S 5 4 3 1.468 106.376 -136.04 -0.5320
8 C5 Cg 3 7 5 4 1.501 114.870 -177.67 0.2570
9 H5 H1 E 8 7 5 1.092 108.300 -63.85 0.0000
10 C6 Cg 3 8 7 5 1.541 109.115 178.24 0.2780
11 H62 H1 E 10 8 7 1.091 110.136 -62.32 0.0000
12 H61 H1 E 10 8 7 1.090 110.614 177.96 0.0000
13 O6 Oh S 10 8 7 1.439 109.977 57.72 -0.6770
14 H6O Ho E 13 10 8 0.962 108.042 -50.79 0.4080
15 C4 Cg 3 8 7 5 1.549 109.730 55.16 0.3200
16 H4 H1 E 15 8 7 1.091 108.584 66.50 0.0000
17 O4 Oh S 15 8 7 1.457 110.564 -175.67 -0.7240
18 H4O Ho E 17 15 8 0.964 110.039 -157.92 0.4200
19 C3 Cg 3 15 8 7 1.554 111.196 -53.07 0.3150
20 H3 H1 E 19 15 8 1.091 109.198 176.72 0.0000
21 O3 Oh S 19 15 8 1.454 110.601 -64.53 -0.6810
22 H3O Ho E 21 19 15 0.965 108.397 -50.06 0.4030
23 C2 Cg B 19 15 8 1.540 111.264 55.77 0.1840
24 H2 H1 E 23 19 15 1.091 109.856 -175.33 0.0000
25 O2 Oh S 23 19 15 1.463 107.825 66.95 -0.6970
26 H2O Ho E 25 23 19 0.966 108.305 -175.24 0.4320
LOOP
C2 C1
DONE
1FA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.409 100.059 -133.97 -0.3880
5 C1 Cg B 4 3 2 1.431 137.354 -54.12 0.3990
6 H1 H2 E 5 4 3 1.090 108.526 -155.17 0.0000
7 C2 Cg 3 5 4 3 1.566 113.717 83.24 0.4560
8 H2 H1 E 7 5 4 1.091 107.661 177.83 0.0000
9 C3 Cg 3 7 5 4 1.550 109.810 -63.62 0.2280
10 H3 H1 E 9 7 5 1.091 109.256 60.66 0.0000
11 C4 Cg 3 9 7 5 1.549 109.944 -58.35 0.2630
12 H4 H1 E 11 9 7 1.091 108.978 175.77 0.0000
13 C5 Cg 3 11 9 7 1.554 111.442 55.77 0.1870
14 H5 H1 E 13 11 9 1.091 107.126 67.59 0.0000
15 C6 Cg 3 13 11 9 1.531 115.122 -173.47 0.0650
16 H63 Hc E 15 13 11 1.090 111.280 -55.79 0.0000
17 H62 Hc E 15 13 11 1.091 111.136 -175.22 0.0000
18 H61 Hc E 15 13 11 1.091 112.013 64.74 0.0000
19 O5 Os E 13 11 9 1.495 111.650 -50.00 -0.4940
20 O4 Oh S 11 9 7 1.452 109.204 -66.42 -0.7390
21 H4O Ho E 20 11 9 0.966 107.152 -53.10 0.4470
22 O3 Oh S 9 7 5 1.464 112.278 179.81 -0.6930
23 H3O Ho E 22 9 7 0.965 108.720 -78.93 0.4260
24 O2 Oh S 7 5 4 1.463 112.192 60.55 -0.8040
25 H2O Ho E 24 7 5 0.961 108.560 155.60 0.4530
LOOP
O5 C1
DONE
1FB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 25.746 80.766 -135.87 -0.3880
5 C1 Cg B 4 3 2 1.434 152.173 -98.57 0.4180
6 H1 H2 E 5 4 3 1.091 108.664 -46.16 0.0000
7 O5 Os S 5 4 3 1.479 110.637 -165.15 -0.4420
8 C5 Cg 3 7 5 4 1.481 116.331 -175.20 0.1060
9 H5 H1 E 8 7 5 1.092 108.301 -57.82 0.0000
10 C6 Cg 3 8 7 5 1.531 108.182 -173.94 0.0920
11 H63 Hc E 10 8 7 1.091 111.199 179.97 0.0000
12 H62 Hc E 10 8 7 1.091 112.070 -59.60 0.0000
13 H61 Hc E 10 8 7 1.091 111.160 60.55 0.0000
14 C4 Cg 3 8 7 5 1.543 108.818 59.65 0.2290
15 H4 H1 E 14 8 7 1.091 109.875 -177.36 0.0000
16 O4 Oh S 14 8 7 1.445 108.672 63.53 -0.6590
17 H4O Ho E 16 14 8 0.960 109.451 59.43 0.4230
18 C3 Cg 3 14 8 7 1.542 109.625 -56.43 0.2550
19 H3 H1 E 18 14 8 1.092 107.830 -66.01 0.0000
20 O3 Oh S 18 14 8 1.440 109.284 176.95 -0.6760
21 H3O Ho E 20 18 14 0.960 109.419 178.46 0.4270
22 C2 Cg B 18 14 8 1.542 112.898 54.44 0.3460
23 H2 H1 E 22 18 14 1.092 109.972 72.13 0.0000
24 O2 Oh S 22 18 14 1.439 107.835 -168.68 -0.7650
25 H2O Ho E 24 22 18 0.960 109.418 -179.92 0.4400
LOOP
C2 C1
DONE
1GA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.425 99.971 -133.80 -0.3880
5 C1 Cg B 4 3 2 1.420 89.221 75.63 0.5090
6 H1 H2 E 5 4 3 1.090 108.849 9.30 0.0000
7 C2 Cg 3 5 4 3 1.556 111.757 -112.07 0.2460
8 H2 H1 E 7 5 4 1.091 107.607 172.19 0.0000
9 C3 Cg 3 7 5 4 1.543 111.424 -69.14 0.2860
10 H3 H1 E 9 7 5 1.092 109.239 69.49 0.0000
11 C4 Cg 3 9 7 5 1.547 112.114 -52.22 0.2540
12 H4 H1 E 11 9 7 1.092 109.454 -66.45 0.0000
13 C5 Cg 3 11 9 7 1.543 111.254 54.50 0.2830
14 H5 H1 E 13 11 9 1.092 108.261 65.38 0.0000
15 C6 Cg 3 13 11 9 1.546 112.538 -174.79 0.2760
16 H62 H1 E 15 13 11 1.090 110.682 -45.93 0.0000
17 H61 H1 E 15 13 11 1.091 110.014 73.31 0.0000
18 O6 Oh S 15 13 11 1.444 110.823 -165.78 -0.6820
19 H6O Ho E 18 15 13 0.960 109.735 78.35 0.4180
20 O5 Os E 13 11 9 1.500 109.539 -52.54 -0.5740
21 O4 Oh S 11 9 7 1.451 108.956 174.69 -0.7100
22 H4O Ho E 21 11 9 0.968 107.227 50.66 0.4360
23 O3 Oh S 9 7 5 1.452 108.531 -172.18 -0.6990
24 H3O Ho E 23 9 7 0.967 107.382 -43.08 0.4270
25 O2 Oh S 7 5 4 1.465 111.499 54.30 -0.7130
26 H2O Ho E 25 7 5 0.967 109.170 -40.31 0.4370
LOOP
O5 C1
DONE
1GB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.470 98.844 -133.88 -0.3880
5 C1 Cg B 4 3 2 1.419 135.821 -79.08 0.3840
6 H1 H2 E 5 4 3 1.091 109.169 -14.42 0.0000
7 O5 Os S 5 4 3 1.466 106.609 -132.25 -0.4710
8 C5 Cg 3 7 5 4 1.495 115.297 -177.68 0.2250
9 H5 H1 E 8 7 5 1.092 108.301 -60.31 0.0000
10 C6 Cg 3 8 7 5 1.541 109.304 -178.46 0.2820
11 H62 H1 E 10 8 7 1.091 110.212 -62.75 0.0000
12 H61 H1 E 10 8 7 1.090 110.609 177.45 0.0000
13 O6 Oh S 10 8 7 1.440 109.810 57.27 -0.6880
14 H6O Ho E 13 10 8 0.962 108.265 -53.10 0.4240
15 C4 Cg 3 8 7 5 1.543 108.909 58.25 0.2760
16 H4 H1 E 15 8 7 1.092 109.352 66.92 0.0000
17 O4 Oh S 15 8 7 1.448 108.899 -174.36 -0.7140
18 H4O Ho E 17 15 8 0.967 107.435 172.17 0.4400
19 C3 Cg 3 15 8 7 1.548 111.306 -54.04 0.2840
20 H3 H1 E 19 15 8 1.092 109.104 -67.30 0.0000
21 O3 Oh S 19 15 8 1.454 108.817 174.47 -0.7090
22 H3O Ho E 21 19 15 0.967 107.396 -174.95 0.4320
23 C2 Cg B 19 15 8 1.545 112.113 53.55 0.3100
24 H2 H1 E 23 19 15 1.092 109.394 68.33 0.0000
25 O2 Oh S 23 19 15 1.458 108.975 -172.91 -0.7180
26 H2O Ho E 25 23 19 0.966 108.053 175.61 0.4370
LOOP
C2 C1
DONE
1HA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.621 100.310 -133.99 -0.3880
5 C1 Cg B 4 3 2 1.424 131.133 -51.40 0.3940
6 H1 H2 E 5 4 3 1.090 108.212 -155.40 0.0000
7 C2 Cg 3 5 4 3 1.554 110.601 84.94 0.2480
8 H2 H1 E 7 5 4 1.091 109.542 48.67 0.0000
9 C3 Cg 3 7 5 4 1.545 110.654 -71.98 0.2360
10 H3 H1 E 9 7 5 1.092 108.370 66.81 0.0000
11 C4 Cg 3 9 7 5 1.545 112.380 -53.49 0.1870
12 H4 H1 E 11 9 7 1.091 109.690 -65.16 0.0000
13 C5 Cg 3 11 9 7 1.549 110.317 55.89 0.2790
14 H5 H1 E 13 11 9 1.092 108.902 66.22 0.0000
15 C6 Cg 3 13 11 9 1.530 113.869 -172.74 0.0230
16 H63 Hc E 15 13 11 1.090 111.509 -61.06 0.0000
17 H62 Hc E 15 13 11 1.091 111.314 179.43 0.0000
18 H61 Hc E 15 13 11 1.091 111.668 59.25 0.0000
19 O5 Os E 13 11 9 1.486 110.695 -52.49 -0.4610
20 O4 Oh S 11 9 7 1.456 108.727 175.97 -0.6440
21 H4O Ho E 20 11 9 0.963 110.183 165.58 0.4050
22 O3 Oh S 9 7 5 1.452 109.719 -175.81 -0.6490
23 H3O Ho E 22 9 7 0.965 106.808 176.43 0.4250
24 O2 Oh S 7 5 4 1.456 109.547 166.93 -0.6700
25 H2O Ho E 24 7 5 0.965 106.818 171.13 0.4210
LOOP
O5 C1
DONE
1HB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 28.026 69.051 -147.70 -0.3880
5 C1 Cg B 4 3 2 1.435 156.411 -93.47 0.3810
6 H1 H2 E 5 4 3 1.091 107.763 148.76 0.0000
7 O5 Os S 5 4 3 1.479 112.052 29.40 -0.4270
8 C5 Cg 3 7 5 4 1.483 115.750 177.76 0.1720
9 H5 H1 E 8 7 5 1.092 107.917 -63.31 0.0000
10 C6M Cg 3 8 7 5 1.530 107.056 -179.94 0.0390
11 H1M Hc E 10 8 7 1.091 111.297 57.52 0.0000
12 H2M Hc E 10 8 7 1.091 111.709 -62.68 0.0000
13 H3M Hc E 10 8 7 1.091 111.441 177.01 0.0000
14 C4 Cg 3 8 7 5 1.547 109.717 55.61 0.3880
15 H4 H1 E 14 8 7 1.092 109.750 73.54 0.0000
16 O4 Oh S 14 8 7 1.438 107.632 -167.68 -0.7280
17 H4O Ho E 16 14 8 0.960 109.440 -59.01 0.4320
18 C3 Cg 3 14 8 7 1.543 112.131 -48.94 0.1820
19 H3 H1 E 18 14 8 1.092 109.049 -68.66 0.0000
20 O3 Oh S 18 14 8 1.440 109.818 173.25 -0.6650
21 H3O Ho E 20 18 14 0.960 109.425 57.73 0.4180
22 C2 Cg B 18 14 8 1.542 112.684 51.25 0.2430
23 H2 H1 E 22 18 14 1.091 110.140 -175.78 0.0000
24 O2 Oh S 22 18 14 1.446 109.350 64.20 -0.6730
25 H2O Ho E 24 22 18 0.960 109.408 59.77 0.4320
LOOP
C2 C1
DONE
1JA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.611 99.408 -130.23 0.1140
5 C3 Cg 3 4 3 2 1.561 108.078 4.40 0.2710
6 H3 H1 E 5 4 3 1.091 109.484 -29.48 0.0000
7 C4 Cg 3 5 4 3 1.550 111.054 -149.95 0.2810
8 H4 H1 E 7 5 4 1.091 108.892 64.55 0.0000
9 C5 Cg 3 7 5 4 1.547 111.417 -55.51 0.2730
10 H5 H1 E 9 7 5 1.091 109.946 -64.34 0.0000
11 C6 Cg 3 9 7 5 1.541 110.532 56.44 0.3680
12 H6E H1 E 11 9 7 1.090 110.023 -172.59 0.0000
13 H6A H1 E 11 9 7 1.091 109.951 68.78 0.0000
14 O6 Os E 11 9 7 1.489 111.422 -51.66 -0.5040
15 O5 Oh S 9 7 5 1.453 109.662 176.22 -0.6990
16 H5O Ho E 15 9 7 0.965 108.090 56.66 0.4190
17 O4 Oh S 7 5 4 1.460 109.496 -177.99 -0.6720
18 H4O Ho E 17 7 5 0.964 109.388 -81.32 0.4130
19 O3 Oh S 5 4 3 1.458 110.234 89.20 -0.6540
20 H3O Ho E 19 5 4 0.966 107.634 165.84 0.4250
21 C1 Cg M 4 3 2 1.562 33.359 109.85 0.4100
22 H12 H1 E 21 4 3 1.091 109.780 -32.30 0.0000
23 H11 H1 E 21 4 3 1.091 110.432 86.63 0.0000
24 O1 Os M 21 4 3 1.437 111.258 -152.64 -0.4450
LOOP
O6 C2
DONE
1JB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.338 98.495 -136.31 0.4130
5 O6 Os S 4 3 2 1.484 136.913 168.93 -0.5510
6 C6 Cg 3 5 4 3 1.484 117.065 151.25 0.2920
7 H6E H1 E 6 5 4 1.090 109.046 175.12 0.0000
8 H6A H1 E 6 5 4 1.091 108.728 -67.49 0.0000
9 C5 Cg 3 6 5 4 1.547 111.063 53.76 0.3740
10 H5 H1 E 9 6 5 1.091 108.987 71.66 0.0000
11 O5 Oh S 9 6 5 1.455 109.300 -169.66 -0.7290
12 H5O Ho E 11 9 6 0.962 111.074 52.54 0.4260
13 C4 Cg 3 9 6 5 1.550 111.895 -49.63 0.1550
14 H4 H1 E 13 9 6 1.090 108.402 -67.51 0.0000
15 O4 Oh S 13 9 6 1.459 110.935 175.25 -0.6840
16 H4O Ho E 15 13 9 0.968 109.165 45.21 0.4380
17 C3 Cg B 13 9 6 1.551 111.966 52.01 0.3630
18 H3 H1 E 17 13 9 1.091 109.562 -175.27 0.0000
19 O3 Oh S 17 13 9 1.461 107.359 67.28 -0.7250
20 H3O Ho E 19 17 13 0.967 106.570 50.21 0.4320
21 C1 Cg M 4 3 2 1.565 68.430 -90.76 0.2800
22 H12 H1 E 21 4 3 1.091 109.821 33.19 0.0000
23 H11 H1 E 21 4 3 1.089 110.419 151.32 0.0000
24 O1 Os M 21 4 3 1.444 112.820 -88.26 -0.4840
LOOP
C3 C2
DONE
1JD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920
5 C3 Cg 3 4 3 2 1.637 108.016 16.20 0.3930
6 H3 H1 E 5 4 3 1.091 112.376 -99.86 0.0000
7 C4 Cg 3 5 4 3 1.642 105.965 138.66 0.2330
8 H4 H1 E 7 5 4 1.090 107.367 95.04 0.0000
9 C5 Cg 3 7 5 4 1.625 107.375 -19.81 0.1900
10 H5 H1 E 9 7 5 1.091 108.940 130.16 0.0000
11 C6 Cg 3 9 7 5 1.542 114.908 -106.54 0.3400
12 H62 H1 E 11 9 7 1.090 110.250 66.65 0.0000
13 H61 H1 E 11 9 7 1.090 110.186 -52.85 0.0000
14 O6 Oh S 11 9 7 1.441 110.517 -172.30 -0.7250
15 H6O Ho E 14 11 9 0.959 110.296 58.30 0.4250
16 O5 Os E 9 7 5 1.585 104.597 13.44 -0.4100
17 O4 Oh S 7 5 4 1.458 113.311 -146.22 -0.6710
18 H4O Ho E 17 7 5 0.965 110.086 -102.72 0.4140
19 O3 Oh S 5 4 3 1.455 110.333 22.08 -0.7480
20 H3O Ho E 19 5 4 0.969 106.278 138.38 0.4460
21 C1 Cg M 4 3 2 1.554 10.224 -140.48 0.3890
22 H12 H1 E 21 4 3 1.091 109.769 84.88 0.0000
23 H11 H1 E 21 4 3 1.091 110.219 -156.13 0.0000
24 O1 Os M 21 4 3 1.438 111.155 -35.41 -0.4680
LOOP
O5 C2
DONE
1JU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510
5 O5 Os S 4 3 2 1.569 141.794 -176.42 -0.3890
6 C5 Cg 3 5 4 3 1.585 113.364 166.72 0.1000
7 H5 H1 E 6 5 4 1.089 109.200 -122.53 0.0000
8 C6 Cg 3 6 5 4 1.537 108.498 118.12 0.3490
9 H62 H1 E 8 6 5 1.089 110.316 -54.99 0.0000
10 H61 H1 E 8 6 5 1.090 111.054 -175.70 0.0000
11 O6 Oh S 8 6 5 1.435 108.026 64.54 -0.6840
12 H6O Ho E 11 8 6 0.962 107.568 -44.32 0.4110
13 C4 Cg 3 6 5 4 1.619 104.895 -5.59 0.2840
14 H4 H1 E 13 6 5 1.091 107.554 -103.32 0.0000
15 O4 Oh S 13 6 5 1.442 113.035 137.27 -0.6570
16 H4O Ho E 15 13 6 0.969 105.977 -113.16 0.4100
17 C3 Cg B 13 6 5 1.639 107.844 12.75 0.2230
18 H3 H1 E 17 13 6 1.090 110.597 -136.61 0.0000
19 O3 Oh S 17 13 6 1.460 109.186 103.85 -0.6710
20 H3O Ho E 19 17 13 0.971 106.808 -128.68 0.4160
21 C1 Cg M 4 3 2 1.554 50.342 -105.76 0.3330
22 H12 H1 E 21 4 3 1.090 110.121 39.98 0.0000
23 H11 H1 E 21 4 3 1.090 109.574 158.57 0.0000
24 O1 Os M 21 4 3 1.448 111.622 -81.07 -0.4760
LOOP
C3 C2
DONE
1KA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 25.819 81.542 -135.36 -0.3880
5 C1 Cg B 4 3 2 1.439 73.298 36.96 0.4730
6 H1 H2 E 5 4 3 1.090 108.219 14.26 0.0000
7 C2 Cg 3 5 4 3 1.544 111.317 -105.47 0.2810
8 H2 H1 E 7 5 4 1.091 106.340 169.28 0.0000
9 C3 Cg 3 7 5 4 1.544 115.219 -72.75 0.3540
10 H3 H1 E 9 7 5 1.091 109.846 -171.16 0.0000
11 C4 Cg 3 9 7 5 1.541 111.196 -48.97 0.1960
12 H4 H1 E 11 9 7 1.091 109.723 170.85 0.0000
13 C5 Cg 3 11 9 7 1.549 113.058 48.50 0.3010
14 H5 H1 E 13 11 9 1.092 107.347 66.38 0.0000
15 C6 Cg 3 13 11 9 1.535 114.885 -173.99 0.2870
16 H62 H1 E 15 13 11 1.090 110.246 -52.70 0.0000
17 H61 H1 E 15 13 11 1.091 110.887 67.51 0.0000
18 O6 Oh S 15 13 11 1.434 108.908 -172.15 -0.6910
19 H6O Ho E 18 15 13 0.960 109.471 59.53 0.4220
20 O5 Os E 13 11 9 1.489 109.902 -50.90 -0.5400
21 O4 Oh S 11 9 7 1.440 107.338 -72.13 -0.7120
22 H4O Ho E 21 11 9 0.960 109.466 -178.56 0.4200
23 O3 Oh S 9 7 5 1.440 110.218 69.79 -0.7440
24 H3O Ho E 23 9 7 0.960 109.437 59.70 0.4360
25 O2 Oh S 7 5 4 1.439 110.808 54.09 -0.7160
26 H2O Ho E 25 7 5 0.960 109.409 -63.57 0.4270
LOOP
O5 C1
DONE
1KB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.367 99.344 -133.94 -0.3880
5 C1 Cg B 4 3 2 1.416 135.171 -74.75 0.4490
6 H1 H2 E 5 4 3 1.091 109.369 -20.91 0.0000
7 O5 Os S 5 4 3 1.465 105.302 -138.54 -0.5140
8 C5 Cg 3 7 5 4 1.499 115.030 -175.51 0.3030
9 H5 H1 E 8 7 5 1.092 107.891 -62.65 0.0000
10 C6 Cg 3 8 7 5 1.542 109.430 -179.47 0.2590
11 H62 H1 E 10 8 7 1.090 110.533 -58.28 0.0000
12 H61 H1 E 10 8 7 1.090 110.096 -177.88 0.0000
13 O6 Oh S 10 8 7 1.441 110.162 62.18 -0.6700
14 H6O Ho E 13 10 8 0.962 108.273 -57.74 0.4160
15 C4 Cg 3 8 7 5 1.553 110.891 55.18 0.2170
16 H4 H1 E 15 8 7 1.091 108.867 -172.31 0.0000
17 O4 Oh S 15 8 7 1.455 110.952 69.39 -0.7000
18 H4O Ho E 17 15 8 0.964 110.377 163.16 0.4250
19 C3 Cg 3 15 8 7 1.545 111.117 -51.77 0.2530
20 H3 H1 E 19 15 8 1.091 109.391 173.95 0.0000
21 O3 Oh S 19 15 8 1.452 107.992 -68.85 -0.7100
22 H3O Ho E 21 19 15 0.968 107.267 175.38 0.4420
23 C2 Cg B 19 15 8 1.547 111.988 52.75 0.3080
24 H2 H1 E 23 19 15 1.091 108.509 65.85 0.0000
25 O2 Oh S 23 19 15 1.462 109.337 -176.76 -0.7100
26 H2O Ho E 25 23 19 0.965 108.091 178.76 0.4260
LOOP
C2 C1
DONE
1LA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 25.717 81.487 -135.24 -0.3880
5 C1 Cg B 4 3 2 1.440 74.622 36.83 0.4650
6 H1 H2 E 5 4 3 1.090 108.299 15.72 0.0000
7 C2 Cg 3 5 4 3 1.547 111.070 -103.98 0.3390
8 H2 H1 E 7 5 4 1.091 108.000 168.17 0.0000
9 C3 Cg 3 7 5 4 1.541 112.432 -71.54 0.2530
10 H3 H1 E 9 7 5 1.091 109.206 67.02 0.0000
11 C4 Cg 3 9 7 5 1.544 111.714 -53.08 0.2040
12 H4 H1 E 11 9 7 1.091 109.766 175.51 0.0000
13 C5 Cg 3 11 9 7 1.544 110.422 54.48 0.2160
14 H5 H1 E 13 11 9 1.092 107.514 62.91 0.0000
15 C6 Cg 3 13 11 9 1.535 114.934 -177.18 0.3080
16 H62 H1 E 15 13 11 1.090 110.251 -53.15 0.0000
17 H61 H1 E 15 13 11 1.091 110.918 67.08 0.0000
18 O6 Oh S 15 13 11 1.434 108.858 -172.60 -0.6840
19 H6O Ho E 18 15 13 0.960 109.466 59.52 0.4180
20 O5 Os E 13 11 9 1.490 109.289 -54.45 -0.5270
21 O4 Oh S 11 9 7 1.445 109.785 -64.95 -0.6730
22 H4O Ho E 21 11 9 0.960 109.470 179.80 0.4360
23 O3 Oh S 9 7 5 1.440 110.035 -174.48 -0.7010
24 H3O Ho E 23 9 7 0.960 109.438 -57.69 0.4330
25 O2 Oh S 7 5 4 1.440 109.403 51.05 -0.7240
26 H2O Ho E 25 7 5 0.960 109.415 -61.40 0.4310
LOOP
O5 C1
DONE
1LB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.424 98.864 -133.86 -0.3880
5 C1 Cg B 4 3 2 1.424 135.906 -78.65 0.3740
6 H1 H2 E 5 4 3 1.091 108.839 -14.67 0.0000
7 O5 Os S 5 4 3 1.469 107.125 -132.06 -0.4020
8 C5 Cg 3 7 5 4 1.495 116.010 -175.20 0.1400
9 H5 H1 E 8 7 5 1.092 108.013 -61.82 0.0000
10 C6 Cg 3 8 7 5 1.539 109.777 -179.32 0.3190
11 H62 H1 E 10 8 7 1.091 110.848 -57.06 0.0000
12 H61 H1 E 10 8 7 1.090 110.337 -177.30 0.0000
13 O6 Oh S 10 8 7 1.437 109.027 63.12 -0.6930
14 H6O Ho E 13 10 8 0.961 107.830 -58.33 0.4190
15 C4 Cg 3 8 7 5 1.545 110.103 55.47 0.2030
16 H4 H1 E 15 8 7 1.091 109.333 -173.92 0.0000
17 O4 Oh S 15 8 7 1.449 109.628 67.34 -0.6640
18 H4O Ho E 17 15 8 0.967 107.158 -172.89 0.4370
19 C3 Cg 3 15 8 7 1.546 110.517 -53.62 0.2590
20 H3 H1 E 19 15 8 1.092 108.098 -64.81 0.0000
21 O3 Oh S 19 15 8 1.455 109.126 178.29 -0.6940
22 H3O Ho E 21 19 15 0.967 107.449 -176.92 0.4330
23 C2 Cg B 19 15 8 1.547 112.254 55.04 0.3570
24 H2 H1 E 23 19 15 1.092 109.716 67.43 0.0000
25 O2 Oh S 23 19 15 1.459 108.705 -173.71 -0.7260
26 H2O Ho E 25 23 19 0.965 107.724 175.67 0.4320
LOOP
C2 C1
DONE
1MA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.357 99.982 -133.79 -0.3880
5 C1 Cg B 4 3 2 1.421 94.453 78.36 0.4330
6 H1 H2 E 5 4 3 1.090 108.505 12.22 0.0000
7 C2 Cg 3 5 4 3 1.555 110.488 -107.96 0.2450
8 H2 H1 E 7 5 4 1.091 109.366 49.87 0.0000
9 C3 Cg 3 7 5 4 1.545 110.571 -70.42 0.2520
10 H3 H1 E 9 7 5 1.092 108.528 64.93 0.0000
11 C4 Cg 3 9 7 5 1.549 111.609 -54.79 0.3260
12 H4 H1 E 11 9 7 1.091 109.865 -64.38 0.0000
13 C5 Cg 3 11 9 7 1.546 110.605 57.15 0.2760
14 H5 H1 E 13 11 9 1.092 108.214 65.71 0.0000
15 C6 Cg 3 13 11 9 1.544 112.153 -174.59 0.2660
16 H62 H1 E 15 13 11 1.090 110.579 -46.84 0.0000
17 H61 H1 E 15 13 11 1.091 110.051 72.33 0.0000
18 O6 Oh S 15 13 11 1.444 110.952 -166.67 -0.6880
19 H6O Ho E 18 15 13 0.960 109.923 72.72 0.4220
20 O5 Os E 13 11 9 1.497 110.394 -52.31 -0.5070
21 O4 Oh S 11 9 7 1.452 108.734 176.59 -0.7330
22 H4O Ho E 21 11 9 0.966 107.267 52.91 0.4380
23 O3 Oh S 9 7 5 1.461 109.595 -177.93 -0.6960
24 H3O Ho E 23 9 7 0.964 109.699 -74.81 0.4310
25 O2 Oh S 7 5 4 1.459 110.007 168.22 -0.7170
26 H2O Ho E 25 7 5 0.965 108.621 167.29 0.4460
LOOP
O5 C1
DONE
1MB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.345 99.120 -134.15 -0.3880
5 C1 Cg B 4 3 2 1.424 140.128 -73.34 0.3140
6 H1 H2 E 5 4 3 1.091 108.222 -14.79 0.0000
7 O5 Os S 5 4 3 1.470 108.647 -132.68 -0.3930
8 C5 Cg 3 7 5 4 1.498 115.894 -178.03 0.2060
9 H5 H1 E 8 7 5 1.092 107.771 -66.97 0.0000
10 C6 Cg 3 8 7 5 1.539 108.924 175.37 0.2730
11 H62 H1 E 10 8 7 1.091 110.262 -62.70 0.0000
12 H61 H1 E 10 8 7 1.090 110.558 177.52 0.0000
13 O6 Oh S 10 8 7 1.439 109.850 57.44 -0.6800
14 H6O Ho E 13 10 8 0.962 108.414 -55.86 0.4190
15 C4 Cg 3 8 7 5 1.550 110.843 51.87 0.3490
16 H4 H1 E 15 8 7 1.091 109.789 70.94 0.0000
17 O4 Oh S 15 8 7 1.452 108.352 -170.58 -0.7460
18 H4O Ho E 17 15 8 0.963 108.380 -159.72 0.4430
19 C3 Cg 3 15 8 7 1.553 110.419 -50.51 0.2630
20 H3 H1 E 19 15 8 1.092 108.588 -60.79 0.0000
21 O3 Oh S 19 15 8 1.457 111.995 -178.50 -0.6920
22 H3O Ho E 21 19 15 0.962 109.624 81.59 0.4300
23 C2 Cg B 19 15 8 1.547 110.623 57.43 0.2410
24 H2 H1 E 23 19 15 1.091 110.076 180.00 0.0000
25 O2 Oh S 23 19 15 1.459 110.769 59.28 -0.6640
26 H2O Ho E 25 23 19 0.964 107.524 -173.81 0.4310
LOOP
C2 C1
DONE
1NA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 25.820 81.509 -135.62 -0.3880
5 C1 Cg B 4 3 2 1.438 71.813 42.03 0.4780
6 H1 H2 E 5 4 3 1.090 108.224 17.26 0.0000
7 C2 Cg 3 5 4 3 1.545 111.481 -102.50 0.2280
8 H2 H1 E 7 5 4 1.091 106.594 169.97 0.0000
9 C3 Cg 3 7 5 4 1.541 114.996 -71.84 0.3300
10 H3 H1 E 9 7 5 1.091 109.966 -173.17 0.0000
11 C4 Cg 3 9 7 5 1.543 108.602 -52.73 0.1670
12 H4 H1 E 11 9 7 1.091 108.011 -66.83 0.0000
13 C5 Cg 3 11 9 7 1.545 113.659 53.52 0.4040
14 H5 H1 E 13 11 9 1.092 109.059 65.09 0.0000
15 C6 Cg 3 13 11 9 1.535 113.747 -172.97 0.2800
16 H62 H1 E 15 13 11 1.090 110.540 -56.41 0.0000
17 H61 H1 E 15 13 11 1.091 110.668 63.75 0.0000
18 O6 Oh S 15 13 11 1.434 109.011 -175.88 -0.6630
19 H6O Ho E 18 15 13 0.960 109.493 59.88 0.3960
20 O5 Os E 13 11 9 1.489 108.589 -53.11 -0.6110
21 O4 Oh S 11 9 7 1.439 109.206 176.30 -0.7330
22 H4O Ho E 21 11 9 0.960 109.442 -63.39 0.4440
23 O3 Oh S 9 7 5 1.445 109.604 67.22 -0.7140
24 H3O Ho E 23 9 7 0.960 109.446 176.58 0.4410
25 O2 Oh S 7 5 4 1.439 110.664 54.51 -0.6680
26 H2O Ho E 25 7 5 0.960 109.386 -64.68 0.4150
LOOP
O5 C1
DONE
1NB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.430 99.240 -133.92 -0.3880
5 C1 Cg B 4 3 2 1.417 135.449 -75.48 0.4220
6 H1 H2 E 5 4 3 1.092 109.300 -18.49 0.0000
7 O5 Os S 5 4 3 1.470 105.962 -136.19 -0.5070
8 C5 Cg 3 7 5 4 1.500 115.850 -174.36 0.1980
9 H5 H1 E 8 7 5 1.091 108.463 -62.31 0.0000
10 C6 Cg 3 8 7 5 1.541 109.542 179.74 0.3130
11 H62 H1 E 10 8 7 1.090 110.338 -62.12 0.0000
12 H61 H1 E 10 8 7 1.090 110.689 177.70 0.0000
13 O6 Oh S 10 8 7 1.438 109.178 57.79 -0.6890
14 H6O Ho E 13 10 8 0.962 107.694 -47.58 0.4180
15 C4 Cg 3 8 7 5 1.547 108.536 56.26 0.2860
16 H4 H1 E 15 8 7 1.091 108.641 63.49 0.0000
17 O4 Oh S 15 8 7 1.447 110.674 -178.31 -0.7070
18 H4O Ho E 17 15 8 0.966 108.053 84.25 0.4300
19 C3 Cg 3 15 8 7 1.546 111.303 -56.16 0.2340
20 H3 H1 E 19 15 8 1.092 109.685 177.82 0.0000
21 O3 Oh S 19 15 8 1.458 109.719 -63.09 -0.6150
22 H3O Ho E 21 19 15 0.967 107.516 169.04 0.3890
23 C2 Cg B 19 15 8 1.544 109.920 57.50 0.3010
24 H2 H1 E 23 19 15 1.093 108.226 64.66 0.0000
25 O2 Oh S 23 19 15 1.458 109.185 -178.16 -0.7030
26 H2O Ho E 25 23 19 0.966 108.382 -178.62 0.4240
LOOP
C2 C1
DONE
1OA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.348 99.748 -134.10 -0.3880
5 C1 Cg B 4 3 2 1.432 90.055 78.90 0.3050
6 H1 H2 E 5 4 3 1.090 108.553 9.27 0.0000
7 C2 Cg 3 5 4 3 1.563 112.134 -111.46 0.4130
8 H2 H1 E 7 5 4 1.091 108.988 168.23 0.0000
9 C3 Cg 3 7 5 4 1.548 110.939 -71.32 0.2510
10 H3 H1 E 9 7 5 1.092 108.206 62.18 0.0000
11 C4 Cg 3 9 7 5 1.551 110.284 -55.76 0.2670
12 H4 H1 E 11 9 7 1.091 109.469 -178.62 0.0000
13 C5 Cg 3 11 9 7 1.540 109.735 61.11 0.0540
14 H5 H1 E 13 11 9 1.092 108.800 60.69 0.0000
15 C6 C B 13 11 9 1.566 106.527 176.50 0.8960
16 O6A O2 E 15 13 11 1.252 116.529 -102.85 -0.8220
17 O6B O2 E 15 13 11 1.255 117.285 72.11 -0.8220
18 O5 Os E 13 11 9 1.515 109.060 -56.67 -0.4240
19 O4 Oh S 11 9 7 1.455 111.597 -58.02 -0.7040
20 H4O Ho E 19 11 9 0.981 106.629 154.94 0.4290
21 O3 Oh S 9 7 5 1.460 111.666 179.27 -0.7250
22 H3O Ho E 21 9 7 0.964 107.278 -33.23 0.4160
23 O2 Oh S 7 5 4 1.464 109.237 50.38 -0.7710
24 H2O Ho E 23 7 5 0.966 105.614 -34.97 0.4310
LOOP
O5 C1
DONE
1OB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.334 99.049 -133.90 -0.3880
5 C1 Cg B 4 3 2 1.422 135.855 -74.67 0.3010
6 H1 H2 E 5 4 3 1.091 108.944 -17.71 0.0000
7 O5 Os S 5 4 3 1.462 105.596 -134.27 -0.4140
8 C5 Cg 3 7 5 4 1.506 116.408 -174.15 0.0490
9 H5 H1 E 8 7 5 1.092 106.456 -59.37 0.0000
10 C6 C B 8 7 5 1.574 118.473 -176.63 0.8380
11 O6B O2 E 10 8 7 1.256 116.247 -176.00 -0.7940
12 O6A O2 E 10 8 7 1.254 118.706 9.49 -0.7940
13 C4 Cg 3 8 7 5 1.538 109.239 56.00 0.2600
14 H4 H1 E 13 8 7 1.091 109.884 -175.27 0.0000
15 O4 Oh S 13 8 7 1.450 109.662 65.53 -0.6610
16 H4O Ho E 15 13 8 0.961 107.547 -173.76 0.4020
17 C3 Cg 3 13 8 7 1.548 110.856 -55.41 0.2590
18 H3 H1 E 17 13 8 1.092 108.063 -63.15 0.0000
19 O3 Oh S 17 13 8 1.466 108.667 -179.51 -0.7080
20 H3O Ho E 19 17 13 0.961 109.065 79.16 0.4040
21 C2 Cg B 17 13 8 1.553 111.733 55.81 0.3830
22 H2 H1 E 21 17 13 1.091 109.497 69.57 0.0000
23 O2 Oh S 21 17 13 1.460 110.302 -170.66 -0.7320
24 H2O Ho E 23 21 17 0.962 106.473 175.50 0.4010
LOOP
C2 C1
DONE
1PA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 25.577 79.066 -133.43 0.4170
5 C3 Cg 3 4 3 2 1.558 99.850 -27.83 0.1500
6 H3 H1 E 5 4 3 1.091 107.175 74.35 0.0000
7 C4 Cg 3 5 4 3 1.543 115.259 -167.84 0.3940
8 H4 H1 E 7 5 4 1.091 110.047 -172.55 0.0000
9 C5 Cg 3 7 5 4 1.541 108.511 -52.13 0.1530
10 H5 H1 E 9 7 5 1.091 108.437 -65.69 0.0000
11 C6 Cg 3 9 7 5 1.536 113.177 54.52 0.3930
12 H6E H1 E 11 9 7 1.090 110.388 -174.85 0.0000
13 H6A H1 E 11 9 7 1.091 110.767 65.28 0.0000
14 O6 Os E 11 9 7 1.482 109.077 -55.00 -0.5980
15 O5 Oh S 9 7 5 1.437 110.081 176.63 -0.6930
16 H5O Ho E 15 9 7 0.960 109.495 56.94 0.4280
17 O4 Oh S 7 5 4 1.445 109.700 67.72 -0.7020
18 H4O Ho E 17 7 5 0.960 109.435 60.08 0.4320
19 O3 Oh S 5 4 3 1.441 111.232 -41.58 -0.6650
20 H3O Ho E 19 5 4 0.960 109.411 -63.14 0.4090
21 C1 Cg M 4 3 2 1.541 26.010 100.53 0.3270
22 H12 H1 E 21 4 3 1.091 110.581 1.25 0.0000
23 H11 H1 E 21 4 3 1.091 110.426 120.84 0.0000
24 O1 Os M 21 4 3 1.436 110.176 -119.10 -0.4450
LOOP
O6 C2
DONE
1PB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.410 98.300 -136.21 0.4070
5 O6 Os S 4 3 2 1.479 135.293 168.58 -0.5400
6 C6 Cg 3 5 4 3 1.483 117.190 146.77 0.3640
7 H6E H1 E 6 5 4 1.090 109.004 179.12 0.0000
8 H6A H1 E 6 5 4 1.091 109.618 -62.69 0.0000
9 C5 Cg 3 6 5 4 1.540 108.996 58.93 0.1880
10 H5 H1 E 9 6 5 1.091 108.080 63.62 0.0000
11 O5 Oh S 9 6 5 1.454 110.659 -178.62 -0.7050
12 H5O Ho E 11 9 6 0.967 108.400 85.69 0.4330
13 C4 Cg 3 9 6 5 1.546 111.137 -55.37 0.3280
14 H4 H1 E 13 9 6 1.091 109.097 173.70 0.0000
15 O4 Oh S 13 9 6 1.453 109.563 -68.11 -0.6980
16 H4O Ho E 15 13 9 0.967 106.113 178.47 0.4270
17 C3 Cg B 13 9 6 1.548 111.648 53.12 0.1800
18 H3 H1 E 17 13 9 1.092 106.115 68.15 0.0000
19 O3 Oh S 17 13 9 1.462 110.163 -176.47 -0.6810
20 H3O Ho E 19 17 13 0.967 108.335 -167.48 0.4220
21 C1 Cg M 4 3 2 1.572 62.826 -96.98 0.3790
22 H12 H1 E 21 4 3 1.091 110.003 43.55 0.0000
23 H11 H1 E 21 4 3 1.088 110.382 162.11 0.0000
24 O1 Os M 21 4 3 1.452 112.720 -77.60 -0.5040
LOOP
C3 C2
DONE
1PD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240
5 C3 Cg 3 4 3 2 1.632 94.644 -17.33 0.3340
6 H3 H1 E 5 4 3 1.090 107.716 7.04 0.0000
7 C4 Cg 3 5 4 3 1.629 107.129 121.35 0.2820
8 H4 H1 E 7 5 4 1.091 111.828 -141.87 0.0000
9 C5 Cg 3 7 5 4 1.626 106.867 -18.01 0.1940
10 H5 H1 E 9 7 5 1.092 111.109 129.12 0.0000
11 C6 Cg 3 9 7 5 1.529 112.801 -107.47 0.2910
12 H62 H1 E 11 9 7 1.091 110.695 60.83 0.0000
13 H61 H1 E 11 9 7 1.090 110.281 -59.44 0.0000
14 O6 Oh S 11 9 7 1.433 108.604 -178.96 -0.6950
15 H6O Ho E 14 11 9 0.960 109.454 59.02 0.4110
16 O5 Os E 9 7 5 1.580 105.532 10.85 -0.4530
17 O4 Oh S 7 5 4 1.437 109.593 96.29 -0.6830
18 H4O Ho E 17 7 5 0.960 109.464 62.85 0.4210
19 O3 Oh S 5 4 3 1.441 114.290 -111.78 -0.6610
20 H3O Ho E 19 5 4 0.960 109.502 178.91 0.4150
21 C1 Cg M 4 3 2 1.533 28.030 -160.44 0.2860
22 H12 H1 E 21 4 3 1.091 110.436 100.46 0.0000
23 H11 H1 E 21 4 3 1.091 110.553 -139.51 0.0000
24 O1 Os M 21 4 3 1.434 109.386 -19.62 -0.4660
LOOP
O5 C2
DONE
1PU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880
5 O5 Os S 4 3 2 1.576 153.289 123.56 -0.4800
6 C5 Cg 3 5 4 3 1.576 112.884 -156.65 0.3690
7 H5 H1 E 6 5 4 1.092 109.275 -128.49 0.0000
8 C6 Cg 3 6 5 4 1.529 108.414 112.31 0.2150
9 H62 H1 E 8 6 5 1.091 110.659 -56.54 0.0000
10 H61 H1 E 8 6 5 1.090 110.301 -176.80 0.0000
11 O6 Oh S 8 6 5 1.433 108.649 63.62 -0.6780
12 H6O Ho E 11 8 6 0.960 109.500 58.51 0.4210
13 C4 Cg 3 6 5 4 1.623 105.494 -8.76 0.1920
14 H4 H1 E 13 6 5 1.091 112.074 133.66 0.0000
15 O4 Oh S 13 6 5 1.438 106.122 -107.17 -0.7110
16 H4O Ho E 15 13 6 0.960 109.445 -63.95 0.4380
17 C3 Cg B 13 6 5 1.631 107.338 11.41 0.3340
18 H3 H1 E 17 13 6 1.091 107.070 107.51 0.0000
19 O3 Oh S 17 13 6 1.441 112.809 -134.73 -0.7140
20 H3O Ho E 19 17 13 0.960 109.493 -55.92 0.4240
21 C1 Cg M 4 3 2 1.541 66.606 -151.42 0.3650
22 H12 H1 E 21 4 3 1.091 110.660 23.30 0.0000
23 H11 H1 E 21 4 3 1.090 109.918 142.71 0.0000
24 O1 Os M 21 4 3 1.437 110.203 -97.59 -0.4630
LOOP
C3 C2
DONE
1QA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.462 100.074 -134.05 -0.3880
5 C1 Cg B 4 3 2 1.425 138.026 -49.52 0.4650
6 H1 H1 E 5 4 3 1.090 108.528 -158.44 0.0000
7 C2 Cg 3 5 4 3 1.556 112.067 80.26 0.2810
8 H2 H1 E 7 5 4 1.091 107.701 173.61 0.0000
9 C3 Cg 3 7 5 4 1.550 110.755 -68.05 0.3120
10 H3 H1 E 9 7 5 1.092 109.248 69.54 0.0000
11 C4 Cg 3 9 7 5 1.550 112.115 -52.01 0.2080
12 H4 H1 E 11 9 7 1.092 109.113 -67.92 0.0000
13 C5 Cg 3 11 9 7 1.546 111.848 52.85 0.2340
14 H5 H1 E 13 11 9 1.092 108.966 67.39 0.0000
15 C6 Cg 3 13 11 9 1.531 114.081 -171.50 0.0600
16 H63 Hc E 15 13 11 1.091 111.703 58.97 0.0000
17 H62 Hc E 15 13 11 1.091 111.508 -61.39 0.0000
18 H61 Hc E 15 13 11 1.091 111.279 179.14 0.0000
19 O5 Os E 13 11 9 1.487 110.112 -51.22 -0.5590
20 O4 Oh S 11 9 7 1.456 109.169 173.44 -0.6640
21 H4O Ho E 20 11 9 0.963 110.329 161.22 0.4030
22 O3 Oh S 9 7 5 1.451 110.060 -171.22 -0.6970
23 H3O Ho E 22 9 7 0.963 107.525 178.74 0.4240
24 O2 Oh S 7 5 4 1.464 109.956 56.57 -0.6950
25 H2O Ho E 24 7 5 0.963 109.360 -58.41 0.4220
LOOP
O5 C1
DONE
1QB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.458 99.335 -133.83 -0.3880
5 C1 Cg B 4 3 2 1.414 139.337 -73.46 0.3910
6 H1 H1 E 5 4 3 1.091 109.566 -22.21 0.0000
7 O5 Os S 5 4 3 1.461 105.352 -140.00 -0.5350
8 C5 Cg 3 7 5 4 1.486 115.375 -178.71 0.2710
9 H5 H1 E 8 7 5 1.092 108.323 -60.93 0.0000
10 C6 Cg 3 8 7 5 1.530 107.192 -177.83 0.0480
11 H63 Hc E 10 8 7 1.091 111.710 -62.84 0.0000
12 H62 Hc E 10 8 7 1.091 111.509 176.79 0.0000
13 H61 Hc E 10 8 7 1.091 111.262 57.32 0.0000
14 C4 Cg 3 8 7 5 1.548 109.336 58.05 0.2500
15 H4 H1 E 14 8 7 1.092 109.232 68.58 0.0000
16 O4 Oh S 14 8 7 1.451 108.892 -172.72 -0.7130
17 H4O Ho E 16 14 8 0.966 107.748 175.11 0.4210
18 C3 Cg 3 14 8 7 1.549 111.410 -52.29 0.3000
19 H3 H1 E 18 14 8 1.092 108.988 -68.86 0.0000
20 O3 Oh S 18 14 8 1.454 108.773 173.08 -0.6890
21 H3O Ho E 20 18 14 0.966 107.391 -175.24 0.4200
22 C2 Cg B 18 14 8 1.546 112.577 52.00 0.3230
23 H2 H1 E 22 18 14 1.092 109.469 68.14 0.0000
24 O2 Oh S 22 18 14 1.460 109.130 -172.95 -0.7130
25 H2O Ho E 24 22 18 0.966 107.987 174.66 0.4200
LOOP
C2 C1
DONE
1RA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 25.685 81.484 -135.69 -0.3880
5 C1 Cg B 4 3 2 1.438 84.582 42.83 0.4880
6 H1 H2 E 5 4 3 1.090 108.216 22.65 0.0000
7 C2 Cg 3 5 4 3 1.547 111.339 -96.99 0.2530
8 H2 H1 E 7 5 4 1.091 106.529 169.53 0.0000
9 C3 Cg 3 7 5 4 1.542 115.155 -72.28 0.3450
10 H3 H1 E 9 7 5 1.091 110.101 -172.87 0.0000
11 C4 Cg 3 9 7 5 1.542 108.334 -52.41 0.1220
12 H4 H1 E 11 9 7 1.091 108.377 -66.41 0.0000
13 C5 Cg 3 11 9 7 1.537 113.340 53.79 0.3770
14 H5E H1 E 13 11 9 1.090 110.366 -174.24 0.0000
15 H5A H1 E 13 11 9 1.091 110.701 65.98 0.0000
16 O5 Os E 13 11 9 1.483 109.246 -54.31 -0.5610
17 O4 Oh S 11 9 7 1.437 110.093 175.95 -0.6630
18 H4O Ho E 17 11 9 0.960 109.433 -63.23 0.4190
19 O3 Oh S 9 7 5 1.445 109.646 67.35 -0.7370
20 H3O Ho E 19 9 7 0.960 109.441 178.00 0.4430
21 O2 Oh S 7 5 4 1.439 110.676 54.17 -0.7110
22 H2O Ho E 21 7 5 0.960 109.367 -64.82 0.4190
LOOP
O5 C1
DONE
1RB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.433 99.146 -133.49 -0.3880
5 C1 Cg B 4 3 2 1.414 130.309 -76.52 0.4810
6 H1 H2 E 5 4 3 1.090 109.545 -16.25 0.0000
7 O5 Os S 5 4 3 1.470 104.002 -133.63 -0.5760
8 C5 Cg 3 7 5 4 1.488 115.378 -174.49 0.3350
9 H5E H1 E 8 7 5 1.090 108.921 174.98 0.0000
10 H5A H1 E 8 7 5 1.091 109.218 -67.32 0.0000
11 C4 Cg 3 8 7 5 1.549 109.926 54.38 0.2360
12 H4 H1 E 11 8 7 1.091 108.456 64.34 0.0000
13 O4 Oh S 11 8 7 1.453 110.505 -177.82 -0.6950
14 H4O Ho E 13 11 8 0.963 110.348 -165.05 0.4110
15 C3 Cg 3 11 8 7 1.548 110.878 -55.20 0.2030
16 H3 H1 E 15 11 8 1.091 109.669 178.81 0.0000
17 O3 Oh S 15 11 8 1.460 108.674 -62.27 -0.6960
18 H3O Ho E 17 15 11 0.965 108.989 -56.44 0.4280
19 C2 Cg B 15 11 8 1.550 108.635 58.91 0.3850
20 H2 H1 E 19 15 11 1.092 108.039 58.75 0.0000
21 O2 Oh S 19 15 11 1.459 111.068 175.70 -0.7320
22 H2O Ho E 21 19 15 0.963 108.588 169.06 0.4140
LOOP
C2 C1
DONE
1RD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.348 100.277 -134.34 -0.3880
5 C1 Cg B 4 3 2 1.418 61.015 70.12 0.4450
6 H1 H2 E 5 4 3 1.090 111.448 1.99 0.0000
7 C2 Cg 3 5 4 3 1.639 112.180 -125.61 0.3180
8 H2 H1 E 7 5 4 1.090 106.253 154.02 0.0000
9 C3 Cg 3 7 5 4 1.641 106.653 -92.55 0.2750
10 H3 H1 E 9 7 5 1.090 110.829 -140.13 0.0000
11 C4 Cg 3 9 7 5 1.627 107.074 -17.90 0.3270
12 H4 H1 E 11 9 7 1.091 110.687 126.58 0.0000
13 C5 Cg 3 11 9 7 1.540 111.841 -110.98 0.1950
14 H52 H1 E 13 11 9 1.090 109.854 62.87 0.0000
15 H51 H1 E 13 11 9 1.090 109.790 -55.87 0.0000
16 O5 Oh S 13 11 9 1.441 111.480 -176.24 -0.6670
17 H5O Ho E 16 13 11 0.961 110.927 63.80 0.4080
18 O4 Os E 11 9 7 1.590 104.801 9.06 -0.5130
19 O3 Oh S 9 7 5 1.452 110.052 99.39 -0.7390
20 H3O Ho E 19 9 7 0.969 108.678 -13.86 0.4380
21 O2 Oh S 7 5 4 1.461 116.185 35.20 -0.7090
22 H2O Ho E 21 7 5 0.962 110.320 178.71 0.4160
LOOP
O4 C1
DONE
1RU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.325 99.458 -135.06 -0.3880
5 C1 Cg B 4 3 2 1.420 156.740 -57.10 0.3780
6 H1 H1 E 5 4 3 1.091 110.180 -37.41 0.0000
7 O4 Os S 5 4 3 1.557 107.417 -157.99 -0.4240
8 C4 Cg 3 7 5 4 1.587 113.195 -111.98 0.1020
9 H4 H1 E 8 7 5 1.091 108.133 -112.74 0.0000
10 C5 Cg 3 8 7 5 1.534 111.781 126.34 0.3380
11 H52 H1 E 10 8 7 1.090 110.006 -172.13 0.0000
12 H51 H1 E 10 8 7 1.090 110.394 -52.52 0.0000
13 O5 Oh S 10 8 7 1.436 109.887 68.16 -0.6920
14 H5O Ho E 13 10 8 0.959 109.586 178.63 0.4150
15 C3 Cg 3 8 7 5 1.616 104.949 4.12 0.2890
16 H3 H1 E 15 8 7 1.091 109.320 105.86 0.0000
17 O3 Oh S 15 8 7 1.443 110.518 -134.81 -0.6830
18 H3O Ho E 17 15 8 0.968 106.484 98.07 0.4280
19 C2 Cg B 15 8 7 1.643 107.735 -11.40 0.2930
20 H2 H1 E 19 15 8 1.091 110.396 135.88 0.0000
21 O2 Oh S 19 15 8 1.462 110.605 -103.78 -0.6700
22 H2O Ho E 21 19 15 0.963 109.628 -173.50 0.4200
LOOP
C2 C1
DONE
1TA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 25.669 81.466 -135.27 -0.3880
5 C1 Cg B 4 3 2 1.435 76.394 38.97 0.4560
6 H1 H2 E 5 4 3 1.091 107.643 16.58 0.0000
7 C2 Cg 3 5 4 3 1.542 108.750 -101.71 0.2450
8 H2 H1 E 7 5 4 1.091 110.129 44.49 0.0000
9 C3 Cg 3 7 5 4 1.545 112.024 -77.92 0.1240
10 H3 H1 E 9 7 5 1.091 106.708 69.61 0.0000
11 C4 Cg 3 9 7 5 1.543 114.910 -48.48 0.4340
12 H4 H1 E 11 9 7 1.091 109.633 172.69 0.0000
13 C5 Cg 3 11 9 7 1.544 109.739 52.34 0.1570
14 H5 H1 E 13 11 9 1.092 107.463 63.77 0.0000
15 C6 Cg 3 13 11 9 1.535 114.896 -176.35 0.3040
16 H62 H1 E 15 13 11 1.090 110.263 -52.86 0.0000
17 H61 H1 E 15 13 11 1.091 110.896 67.37 0.0000
18 O6 Oh S 15 13 11 1.434 108.863 -172.31 -0.6690
19 H6O Ho E 18 15 13 0.960 109.462 59.57 0.4010
20 O5 Os E 13 11 9 1.488 109.541 -53.52 -0.4800
21 O4 Oh S 11 9 7 1.443 110.261 -67.82 -0.7310
22 H4O Ho E 21 11 9 0.960 109.459 -179.88 0.4170
23 O3 Oh S 9 7 5 1.439 110.774 -174.86 -0.6870
24 H3O Ho E 23 9 7 0.960 109.479 -54.69 0.4420
25 O2 Oh S 7 5 4 1.440 106.453 161.38 -0.6550
26 H2O Ho E 25 7 5 0.960 109.490 -58.28 0.4360
LOOP
O5 C1
DONE
1TB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 25.725 80.629 -135.86 -0.3880
5 C1 Cg B 4 3 2 1.435 149.442 -101.87 0.3060
6 H1 H2 E 5 4 3 1.091 107.524 -40.86 0.0000
7 O5 Os S 5 4 3 1.481 112.148 -159.74 -0.3540
8 C5 Cg 3 7 5 4 1.487 114.855 176.31 0.0310
9 H5 H1 E 8 7 5 1.092 108.117 -56.98 0.0000
10 C6 Cg 3 8 7 5 1.535 108.872 -173.68 0.3490
11 H62 H1 E 10 8 7 1.091 110.886 -56.26 0.0000
12 H61 H1 E 10 8 7 1.090 110.278 -176.51 0.0000
13 O6 Oh S 10 8 7 1.434 108.837 64.00 -0.6660
14 H6O Ho E 13 10 8 0.960 109.430 -59.34 0.4060
15 C4 Cg 3 8 7 5 1.547 109.426 59.69 0.3140
16 H4 H1 E 15 8 7 1.091 109.475 -172.25 0.0000
17 O4 Oh S 15 8 7 1.443 108.917 69.31 -0.6260
18 H4O Ho E 17 15 8 0.960 109.455 59.28 0.4130
19 C3 Cg 3 15 8 7 1.547 110.218 -51.66 0.1740
20 H3 H1 E 19 15 8 1.091 106.762 -67.21 0.0000
21 O3 Oh S 19 15 8 1.439 110.707 177.22 -0.6780
22 H3O Ho E 21 19 15 0.960 109.373 -64.34 0.4250
23 C2 Cg B 19 15 8 1.545 114.890 50.96 0.3400
24 H2 H1 E 23 19 15 1.091 109.957 -172.30 0.0000
25 O2 Oh S 23 19 15 1.444 109.766 67.90 -0.6370
26 H2O Ho E 25 23 19 0.960 109.413 -178.32 0.3970
LOOP
C2 C1
DONE
1TV INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.523 100.444 -134.10 -0.3880
5 C1 Cg B 4 3 2 1.419 136.055 -46.00 0.4700
6 H1 H1 E 5 4 3 1.090 108.099 -163.40 0.0000
7 C2 Cg 3 5 4 3 1.563 110.235 76.38 0.1910
8 H2 H1 E 7 5 4 1.091 108.990 47.51 0.0000
9 C3 Cg 3 7 5 4 1.535 113.371 -74.04 -0.0140
10 H32 Hc E 9 7 5 1.093 108.757 71.70 0.0000
11 H31 Hc E 9 7 5 1.093 110.603 -172.97 0.0000
12 C4 Cg 3 9 7 5 1.535 111.168 -49.67 0.3020
13 H4 H1 E 12 9 7 1.091 109.450 -67.40 0.0000
14 C5 Cg 3 12 9 7 1.553 112.112 54.29 0.3010
15 H5 H1 E 14 12 9 1.092 108.905 64.83 0.0000
16 C6 Cg 3 14 12 9 1.530 113.975 -174.02 0.0070
17 H63 Hc E 16 14 12 1.091 111.485 -61.33 0.0000
18 H62 Hc E 16 14 12 1.091 111.681 59.00 0.0000
19 H61 Hc E 16 14 12 1.091 111.306 179.18 0.0000
20 O5 Os E 14 12 9 1.490 110.400 -53.80 -0.5160
21 O4 Oh S 12 9 7 1.446 106.980 175.05 -0.7390
22 H4O Ho E 21 12 9 0.961 109.446 60.50 0.4390
23 O2 Oh S 7 5 4 1.451 110.808 165.48 -0.6720
24 H2O Ho E 23 7 5 0.962 109.923 -165.71 0.4250
LOOP
O5 C1
DONE
1Tv INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 28.037 69.042 -147.96 -0.3880
5 C1 Cg B 4 3 2 1.434 159.321 -91.12 0.4280
6 H1 H1 E 5 4 3 1.091 107.830 159.73 0.0000
7 O5 Os S 5 4 3 1.478 112.142 40.22 -0.4960
8 C5 Cg 3 7 5 4 1.481 115.346 177.66 0.2710
9 H5 H1 E 8 7 5 1.092 108.331 -61.04 0.0000
10 C6 Cg 3 8 7 5 1.530 107.109 -178.07 0.0170
11 H63 Hc E 10 8 7 1.091 111.734 -62.25 0.0000
12 H62 Hc E 10 8 7 1.091 111.279 57.96 0.0000
13 H61 Hc E 10 8 7 1.091 111.431 177.43 0.0000
14 C4 Cg 3 8 7 5 1.544 108.725 57.81 0.2960
15 H4 H1 E 14 8 7 1.091 109.448 70.86 0.0000
16 O4 Oh S 14 8 7 1.436 108.510 -170.47 -0.7290
17 H4O Ho E 16 14 8 0.960 109.450 -58.57 0.4250
18 C3 Cg 3 14 8 7 1.542 113.120 -51.10 0.0070
19 H32 Hc E 18 14 8 1.093 110.063 -70.43 0.0000
20 H31 Hc E 18 14 8 1.092 110.313 173.67 0.0000
21 C2 Cg B 18 14 8 1.538 111.976 50.24 0.2080
22 H2 H1 E 21 18 14 1.091 109.586 -173.03 0.0000
23 O2 Oh S 21 18 14 1.442 107.633 68.93 -0.6440
24 H2O Ho E 23 21 18 0.960 109.465 59.04 0.4110
LOOP
C2 C1
DONE
1UA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.253 99.481 -134.37 -0.3880
5 C1 Cg B 4 3 2 1.415 150.083 -55.11 0.3630
6 H1 H2 E 5 4 3 1.090 108.888 -153.57 0.0000
7 C2 Cg 3 5 4 3 1.559 111.645 83.84 0.2590
8 H2 H1 E 7 5 4 1.092 108.691 -44.04 0.0000
9 C3 Cg 3 7 5 4 1.555 110.585 -163.39 0.4170
10 H3 H1 E 9 7 5 1.092 108.809 -73.26 0.0000
11 C4 Cg 3 9 7 5 1.551 113.490 47.73 0.2230
12 H4 H1 E 11 9 7 1.092 108.495 63.78 0.0000
13 C5 Cg 3 11 9 7 1.541 110.331 -54.77 0.2320
14 H5 H1 E 13 11 9 1.091 107.517 172.11 0.0000
15 C6 C B 13 11 9 1.591 111.292 -72.79 0.6970
16 O6A O2 E 15 13 11 1.252 118.306 124.19 -0.7570
17 O6B O2 E 15 13 11 1.255 117.111 -52.87 -0.7570
18 O5 Os E 13 11 9 1.503 106.777 57.99 -0.5150
19 O4 Oh S 11 9 7 1.461 110.962 -178.03 -0.7110
20 H4O Ho E 19 11 9 0.984 107.477 94.04 0.3970
21 O3 Oh S 9 7 5 1.454 110.391 168.10 -0.7710
22 H3O Ho E 21 9 7 0.966 105.279 -166.24 0.4170
23 O2 Oh S 7 5 4 1.469 109.784 74.57 -0.6850
24 H2O Ho E 23 7 5 0.960 110.184 68.39 0.3850
LOOP
O5 C1
DONE
1UB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.282 99.657 -134.84 -0.3880
5 C1 Cg B 4 3 2 1.432 146.256 -66.08 0.2780
6 H1 H2 E 5 4 3 1.090 108.419 -34.63 0.0000
7 O5 Os S 5 4 3 1.478 109.000 -152.71 -0.4300
8 C5 Cg 3 7 5 4 1.512 117.828 -68.90 0.1940
9 H5 H1 E 8 7 5 1.091 106.542 -169.54 0.0000
10 C6 C B 8 7 5 1.581 117.000 73.30 0.7500
11 O6B O2 E 10 8 7 1.255 117.682 -174.70 -0.7830
12 O6A O2 E 10 8 7 1.252 117.516 3.62 -0.7830
13 C4 Cg 3 8 7 5 1.546 108.685 -54.23 0.3080
14 H4 H1 E 13 8 7 1.092 107.557 -65.54 0.0000
15 O4 Oh S 13 8 7 1.456 111.691 177.10 -0.7450
16 H4O Ho E 15 13 8 0.987 106.847 -27.71 0.4220
17 C3 Cg 3 13 8 7 1.552 112.015 52.87 0.2860
18 H3 H1 E 17 13 8 1.091 109.935 64.98 0.0000
19 O3 Oh S 17 13 8 1.460 108.958 -175.86 -0.7550
20 H3O Ho E 19 17 13 0.968 105.498 -44.40 0.4210
21 C2 Cg B 17 13 8 1.545 109.635 -56.37 0.2890
22 H2 H1 E 21 17 13 1.091 107.746 -60.80 0.0000
23 O2 Oh S 21 17 13 1.455 110.598 -177.09 -0.6800
24 H2O Ho E 23 21 17 0.964 105.470 34.40 0.4220
LOOP
C2 C1
DONE
1VA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.368 100.226 -134.23 -0.3880
5 C1 Cg B 4 3 2 1.431 139.958 -46.81 0.3890
6 H1 H2 E 5 4 3 1.090 108.202 -164.92 0.0000
7 C2 Cg 3 5 4 3 1.564 112.437 75.04 0.3990
8 H2 H1 E 7 5 4 1.092 107.476 171.27 0.0000
9 C3 Cg 3 7 5 4 1.551 110.856 -71.08 0.1760
10 H3 H1 E 9 7 5 1.091 108.463 65.04 0.0000
11 C4 Cg 3 9 7 5 1.547 111.657 -53.80 0.3260
12 H4 H1 E 11 9 7 1.091 109.161 175.84 0.0000
13 C5 Cg 3 11 9 7 1.548 111.081 55.51 0.1120
14 H5 H1 E 13 11 9 1.091 106.814 64.45 0.0000
15 C6 Cg 3 13 11 9 1.543 114.704 -178.15 0.3620
16 H62 H1 E 15 13 11 1.090 110.167 -176.18 0.0000
17 H61 H1 E 15 13 11 1.090 109.608 -57.43 0.0000
18 O6 Oh S 15 13 11 1.435 111.052 62.92 -0.7110
19 H6O Ho E 18 15 13 0.972 106.687 -28.27 0.4240
20 O5 Os E 13 11 9 1.497 110.914 -51.89 -0.4660
21 O4 Oh S 11 9 7 1.450 108.917 -66.09 -0.7010
22 H4O Ho E 21 11 9 0.968 106.613 -47.88 0.4420
23 O3 Oh S 9 7 5 1.462 112.217 -176.56 -0.6780
24 H3O Ho E 23 9 7 0.964 110.475 -57.52 0.4250
25 N2 Ng B 7 5 4 1.483 111.776 53.04 -0.5950
26 H2N H E 25 7 5 1.007 117.335 -84.05 0.2380
27 C2N C B 25 7 5 1.336 122.570 82.01 0.6250
28 CME Cg 3 27 25 7 1.541 116.317 -175.68 0.0320
29 H3M Hc E 28 27 25 1.091 110.069 50.52 0.0000
30 H2M Hc E 28 27 25 1.091 110.181 170.34 0.0000
31 H1M Hc E 28 27 25 1.091 109.644 -69.76 0.0000
32 O2N O E 27 25 7 1.227 121.897 4.65 -0.6050
LOOP
O5 C1
DONE
1VB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.333 99.317 -134.13 -0.3880
5 C1 Cg B 4 3 2 1.427 138.626 -71.33 0.3050
6 H1 H2 E 5 4 3 1.091 108.056 -21.23 0.0000
7 O5 Os S 5 4 3 1.472 106.693 -137.45 -0.4080
8 C5 Cg 3 7 5 4 1.495 116.111 -178.05 0.1360
9 H5 H1 E 8 7 5 1.092 107.966 -63.70 0.0000
10 C6 Cg 3 8 7 5 1.539 109.857 178.62 0.3530
11 H62 H1 E 10 8 7 1.090 110.929 -56.55 0.0000
12 H61 H1 E 10 8 7 1.091 110.331 -176.87 0.0000
13 O6 Oh S 10 8 7 1.436 108.896 63.69 -0.7140
14 H6O Ho E 13 10 8 0.962 107.704 -58.75 0.4270
15 C4 Cg 3 8 7 5 1.544 110.300 53.58 0.2530
16 H4 H1 E 15 8 7 1.091 109.265 -173.55 0.0000
17 O4 Oh S 15 8 7 1.445 109.653 67.69 -0.6900
18 H4O Ho E 17 15 8 0.968 108.059 -163.84 0.4400
19 C3 Cg 3 15 8 7 1.544 111.265 -52.85 0.1520
20 H3 H1 E 19 15 8 1.092 108.104 -62.30 0.0000
21 O3 Oh S 19 15 8 1.462 108.677 -178.29 -0.6650
22 H3O Ho E 21 19 15 0.963 111.335 83.35 0.4150
23 C2 Cg B 19 15 8 1.558 111.369 56.32 0.5440
24 H2 H1 E 23 19 15 1.091 108.714 61.92 0.0000
25 N2 Ng B 23 19 15 1.481 110.595 -177.69 -0.6860
26 H2N H E 25 23 19 1.005 118.080 75.06 0.2540
27 C2N C B 25 23 19 1.336 122.747 -106.72 0.5860
28 O2N O E 27 25 23 1.227 122.402 0.23 -0.5640
29 CME Cg 3 27 25 23 1.543 116.272 179.61 0.0560
30 H3M Hc E 29 27 25 1.092 110.645 35.56 0.0000
31 H2M Hc E 29 27 25 1.091 109.982 155.53 0.0000
32 H1M Hc E 29 27 25 1.091 109.419 -84.79 0.0000
LOOP
C2 C1
DONE
1WA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.414 99.854 -133.99 -0.3880
5 C1 Cg B 4 3 2 1.422 141.800 -52.60 0.4621
6 H1 H2 E 5 4 3 1.090 108.189 -159.30 0.0000
7 C2 Cg 3 5 4 3 1.554 111.134 80.18 0.2750
8 H2 H1 E 7 5 4 1.092 108.155 51.51 0.0000
9 C3 Cg 3 7 5 4 1.549 109.899 -66.74 0.2520
10 H3 H1 E 9 7 5 1.091 108.295 65.94 0.0000
11 C4 Cg 3 9 7 5 1.550 112.400 -53.90 0.3213
12 H4 H1 E 11 9 7 1.091 108.333 -69.37 0.0000
13 C5 Cg 3 11 9 7 1.547 112.664 51.61 0.2421
14 H5 H1 E 13 11 9 1.092 107.873 70.23 0.0000
15 C6 Cg 3 13 11 9 1.545 113.564 -171.33 0.2995
16 H62 H1 E 15 13 11 1.090 109.575 173.73 0.0000
17 H61 H1 E 15 13 11 1.090 109.924 -68.06 0.0000
18 O6 Oh S 15 13 11 1.443 112.033 52.74 -0.6618
19 H6O Ho E 18 15 13 0.961 109.813 -82.79 0.3959
20 O5 Os E 13 11 9 1.495 111.317 -46.63 -0.5415
21 O4 Oh S 11 9 7 1.458 109.485 172.59 -0.7305
22 H4O Ho E 21 11 9 0.964 111.017 -55.33 0.4424
23 O3 Oh S 9 7 5 1.455 110.348 -176.42 -0.6987
24 H3O Ho E 23 9 7 0.965 109.543 171.31 0.4159
25 N2 Ng B 7 5 4 1.482 111.229 168.92 -0.4751
26 H2N H E 25 7 5 1.007 117.562 110.34 0.2142
27 C2N C B 25 7 5 1.336 123.787 -73.97 0.5909
28 CME Cg 3 27 25 7 1.539 115.681 -177.62 -0.0340
29 H3M Hc E 28 27 25 1.091 109.810 -60.19 0.0000
30 H2M Hc E 28 27 25 1.091 110.252 179.93 0.0000
31 H1M Hc E 28 27 25 1.091 109.868 60.00 0.0000
32 O2N O E 27 25 7 1.229 122.265 3.32 -0.5757
LOOP
O5 C1
DONE
1WB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.404 99.151 -134.31 -0.3880
5 C1 Cg B 4 3 2 1.417 140.584 -73.18 0.3870
6 H1 H2 E 5 4 3 1.091 108.526 -17.48 0.0000
7 O5 Os S 5 4 3 1.464 106.762 -134.89 -0.4980
8 C5 Cg 3 7 5 4 1.498 114.507 177.44 0.3210
9 H5 H1 E 8 7 5 1.092 108.050 -62.29 0.0000
10 C6 Cg 3 8 7 5 1.542 108.838 -179.98 0.2470
11 H62 H1 E 10 8 7 1.091 110.098 -62.68 0.0000
12 H61 H1 E 10 8 7 1.090 110.437 177.81 0.0000
13 O6 Oh S 10 8 7 1.442 110.379 57.48 -0.6630
14 H6O Ho E 13 10 8 0.962 108.929 -56.35 0.4130
15 C4 Cg 3 8 7 5 1.549 109.860 56.38 0.2770
16 H4 H1 E 15 8 7 1.092 109.334 70.38 0.0000
17 O4 Oh S 15 8 7 1.447 108.932 -170.99 -0.7430
18 H4O Ho E 17 15 8 0.968 107.478 170.69 0.4390
19 C3 Cg 3 15 8 7 1.551 111.754 -50.66 0.2170
20 H3 H1 E 19 15 8 1.092 108.749 -66.35 0.0000
21 O3 Oh S 19 15 8 1.458 109.433 176.28 -0.6580
22 H3O Ho E 21 19 15 0.972 110.221 -149.04 0.4130
23 C2 Cg B 19 15 8 1.550 112.012 52.70 0.2940
24 H2 H1 E 23 19 15 1.092 107.937 -171.40 0.0000
25 N2 Ng B 23 19 15 1.485 111.811 69.61 -0.5580
26 H2N H E 25 23 19 1.007 117.378 -91.94 0.2650
27 C2N C B 25 23 19 1.337 123.528 90.12 0.5850
28 O2N O E 27 25 23 1.229 121.350 -4.57 -0.6000
29 CME Cg 3 27 25 23 1.544 116.722 177.13 0.0560
30 H3M Hc E 29 27 25 1.092 111.211 -15.23 0.0000
31 H2M Hc E 29 27 25 1.091 109.840 -135.47 0.0000
32 H1M Hc E 29 27 25 1.090 109.199 104.92 0.0000
LOOP
C2 C1
DONE
1XA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.426 99.711 -133.95 -0.3880
5 C1 Cg B 4 3 2 1.419 141.464 -51.75 0.4820
6 H1 H2 E 5 4 3 1.090 108.856 -163.82 0.0000
7 C2 Cg 3 5 4 3 1.552 111.362 75.07 0.1970
8 H2 H1 E 7 5 4 1.091 107.726 172.55 0.0000
9 C3 Cg 3 7 5 4 1.543 111.214 -68.70 0.3590
10 H3 H1 E 9 7 5 1.092 109.408 69.19 0.0000
11 C4 Cg 3 9 7 5 1.547 112.192 -52.80 0.2470
12 H4 H1 E 11 9 7 1.091 109.623 -66.19 0.0000
13 C5 Cg 3 11 9 7 1.539 110.634 53.97 0.3350
14 H5E H1 E 13 11 9 1.090 109.984 -172.58 0.0000
15 H5A H1 E 13 11 9 1.091 110.140 68.68 0.0000
16 O5 Os E 13 11 9 1.489 111.025 -51.97 -0.5880
17 O4 Oh S 11 9 7 1.453 110.240 174.10 -0.7200
18 H4O Ho E 17 11 9 0.967 107.931 54.72 0.4200
19 O3 Oh S 9 7 5 1.451 108.116 -172.55 -0.7120
20 H3O Ho E 19 9 7 0.966 107.240 -43.40 0.4210
21 O2 Oh S 7 5 4 1.464 111.006 54.82 -0.6560
22 H2O Ho E 21 7 5 0.967 109.241 -39.05 0.4090
LOOP
O5 C1
DONE
1XB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.592 99.462 -133.41 -0.3880
5 C1 Cg B 4 3 2 1.422 138.904 -73.22 0.2480
6 H1 H2 E 5 4 3 1.091 108.928 -20.72 0.0000
7 O5 Os S 5 4 3 1.466 106.767 -138.18 -0.4470
8 C5 Cg 3 7 5 4 1.482 115.196 -177.21 0.3030
9 H5E H1 E 8 7 5 1.090 109.061 178.41 0.0000
10 H5A H1 E 8 7 5 1.092 109.076 -63.64 0.0000
11 C4 Cg 3 8 7 5 1.541 109.795 57.60 0.2860
12 H4 H1 E 11 8 7 1.091 109.061 67.02 0.0000
13 O4 Oh S 11 8 7 1.447 108.470 -174.60 -0.7230
14 H4O Ho E 13 11 8 0.966 107.383 173.28 0.4300
15 C3 Cg 3 11 8 7 1.546 111.571 -54.26 0.2280
16 H3 H1 E 15 11 8 1.092 109.010 -67.31 0.0000
17 O3 Oh S 15 11 8 1.458 108.945 174.50 -0.6820
18 H3O Ho E 17 15 11 0.967 108.169 -177.96 0.4270
19 C2 Cg B 15 11 8 1.547 111.370 53.00 0.4250
20 H2 H1 E 19 15 11 1.092 109.571 69.62 0.0000
21 O2 Oh S 19 15 11 1.452 108.733 -171.44 -0.6990
22 H2O Ho E 21 19 15 0.965 106.939 170.97 0.3980
LOOP
C2 C1
DONE
1XD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.784 100.379 -133.93 -0.3880
5 C1 Cg B 4 3 2 1.420 131.971 -40.10 0.4280
6 H1 H1 E 5 4 3 1.090 110.948 -167.61 0.0000
7 C2 Cg 3 5 4 3 1.636 110.604 65.78 0.2480
8 H2 H1 E 7 5 4 1.091 107.679 145.62 0.0000
9 C3 Cg 3 7 5 4 1.634 106.860 -97.73 0.3020
10 H3 H1 E 9 7 5 1.091 108.695 100.33 0.0000
11 C4 Cg 3 9 7 5 1.626 107.473 -15.89 0.2370
12 H4 H1 E 11 9 7 1.090 108.401 126.25 0.0000
13 C5 Cg 3 11 9 7 1.543 116.861 -110.85 0.2800
14 H52 H1 E 13 11 9 1.090 109.111 -166.53 0.0000
15 H51 H1 E 13 11 9 1.090 111.083 -47.72 0.0000
16 O5 Oh S 13 11 9 1.441 110.629 74.51 -0.6780
17 H5O Ho E 16 13 11 0.962 107.911 53.44 0.4220
18 O4 Os E 11 9 7 1.593 104.822 10.20 -0.5070
19 O3 Oh S 9 7 5 1.447 111.050 -140.89 -0.7140
20 H3O Ho E 19 9 7 0.963 109.068 -54.84 0.4260
21 O2 Oh S 7 5 4 1.455 113.910 25.58 -0.6570
22 H2O Ho E 21 7 5 0.967 107.830 -15.92 0.4070
LOOP
O4 C1
DONE
1XU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.880 98.939 -132.50 -0.3880
5 C1 Cg B 4 3 2 1.421 109.248 -88.89 0.3880
6 H1 H2 E 5 4 3 1.090 110.400 -19.49 0.0000
7 O4 Os S 5 4 3 1.557 108.472 -139.52 -0.4270
8 C4 Cg 3 7 5 4 1.585 113.491 -122.43 0.1420
9 H4 H1 E 8 7 5 1.091 108.575 -119.30 0.0000
10 C5 Cg 3 8 7 5 1.541 109.761 121.74 0.2850
11 H52 H1 E 10 8 7 1.091 110.415 -59.53 0.0000
12 H51 H1 E 10 8 7 1.090 109.960 -179.16 0.0000
13 O5 Oh S 10 8 7 1.439 110.113 61.06 -0.6350
14 H5O Ho E 13 10 8 0.959 109.575 48.10 0.3960
15 C3 Cg 3 8 7 5 1.626 104.984 -3.27 0.2240
16 H3 H1 E 15 8 7 1.091 107.946 -110.07 0.0000
17 O3 Oh S 15 8 7 1.450 112.399 130.64 -0.6620
18 H3O Ho E 17 15 8 0.964 109.399 168.94 0.4120
19 C2 Cg B 15 8 7 1.636 107.660 8.09 0.3820
20 H2 H1 E 19 15 8 1.091 109.319 108.55 0.0000
21 O2 Oh S 19 15 8 1.454 110.186 -132.48 -0.7310
22 H2O Ho E 21 19 15 0.963 109.130 -172.15 0.4200
LOOP
C2 C1
DONE
1YA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.430 99.870 -133.70 -0.3880
5 C1 Cg B 4 3 2 1.420 138.930 -57.82 0.4680
6 H1 H2 E 5 4 3 1.090 108.247 -155.31 0.0000
7 C2 Cg 3 5 4 3 1.558 112.461 84.40 0.2450
8 H2 H1 E 7 5 4 1.092 106.853 170.61 0.0000
9 C3 Cg 3 7 5 4 1.547 112.034 -71.71 0.1650
10 H3 H1 E 9 7 5 1.092 108.717 70.25 0.0000
11 C4 Cg 3 9 7 5 1.546 112.211 -50.71 0.3220
12 H4 H1 E 11 9 7 1.091 108.977 -70.26 0.0000
13 C5 Cg 3 11 9 7 1.544 112.523 51.74 0.2460
14 H5 H1 E 13 11 9 1.092 108.088 68.11 0.0000
15 C6 Cg 3 13 11 9 1.544 112.817 -173.43 0.3280
16 H62 H1 E 15 13 11 1.090 110.073 -62.63 0.0000
17 H61 H1 E 15 13 11 1.090 109.603 179.01 0.0000
18 O6 Oh S 15 13 11 1.444 111.701 58.39 -0.6880
19 H6O Ho E 18 15 13 0.960 109.460 179.56 0.4210
20 O5 Os E 13 11 9 1.500 111.305 -49.14 -0.5680
21 O4 Oh S 11 9 7 1.448 107.905 171.55 -0.7330
22 H4O Ho E 21 11 9 0.967 106.060 48.68 0.4490
23 O3 Oh S 9 7 5 1.457 109.988 -171.07 -0.6300
24 H3O Ho E 23 9 7 0.977 109.893 -12.80 0.4130
25 N2 Ng B 7 5 4 1.486 111.224 53.55 -0.5520
26 H2N H E 25 7 5 1.009 115.982 -30.97 0.2360
27 C2N C B 25 7 5 1.338 124.714 152.48 0.5880
28 CME Cg 3 27 25 7 1.544 117.110 -175.73 0.0630
29 H3M Hc E 28 27 25 1.092 111.363 2.06 0.0000
30 H2M Hc E 28 27 25 1.091 109.387 122.31 0.0000
31 H1M Hc E 28 27 25 1.090 109.379 -118.32 0.0000
32 O2N O E 27 25 7 1.228 121.379 4.88 -0.5790
LOOP
O5 C1
DONE
1YB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.398 99.079 -134.14 -0.3880
5 C1 Cg B 4 3 2 1.424 139.065 -75.37 0.2870
6 H1 H2 E 5 4 3 1.091 108.239 -18.53 0.0000
7 O5 Os S 5 4 3 1.468 106.763 -135.19 -0.4330
8 C5 Cg 3 7 5 4 1.493 115.188 179.81 0.2080
9 H5 H1 E 8 7 5 1.092 108.293 -60.80 0.0000
10 C6 Cg 3 8 7 5 1.540 109.520 -179.10 0.2890
11 H62 H1 E 10 8 7 1.091 110.298 -62.00 0.0000
12 H61 H1 E 10 8 7 1.090 110.526 178.17 0.0000
13 O6 Oh S 10 8 7 1.439 109.712 58.17 -0.6890
14 H6O Ho E 13 10 8 0.961 108.379 -54.80 0.4240
15 C4 Cg 3 8 7 5 1.542 108.679 57.57 0.3020
16 H4 H1 E 15 8 7 1.092 109.552 66.23 0.0000
17 O4 Oh S 15 8 7 1.444 108.611 -175.00 -0.7160
18 H4O Ho E 17 15 8 0.967 106.789 174.20 0.4360
19 C3 Cg 3 15 8 7 1.547 111.743 -55.34 0.1800
20 H3 H1 E 19 15 8 1.092 108.855 -63.61 0.0000
21 O3 Oh S 19 15 8 1.462 108.350 179.31 -0.6810
22 H3O Ho E 21 19 15 0.964 110.728 170.98 0.4230
23 C2 Cg B 19 15 8 1.555 110.847 55.82 0.4800
24 H2 H1 E 23 19 15 1.092 108.016 63.51 0.0000
25 N2 Ng B 23 19 15 1.484 110.897 -176.40 -0.7220
26 H2N H E 25 23 19 1.006 117.592 78.54 0.3000
27 C2N C B 25 23 19 1.336 123.143 -111.93 0.6480
28 O2N O E 27 25 23 1.226 122.116 6.61 -0.5760
29 CME Cg 3 27 25 23 1.542 116.434 -175.43 0.0340
30 H3M Hc E 29 27 25 1.092 110.630 37.74 0.0000
31 H2M Hc E 29 27 25 1.091 110.076 157.79 0.0000
32 H1M Hc E 29 27 25 1.091 109.335 -82.58 0.0000
LOOP
C2 C1
DONE
1ZA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.452 99.985 -133.89 -0.3880
5 C1 Cg B 4 3 2 1.422 86.894 74.55 0.3980
6 H1 H2 E 5 4 3 1.090 108.692 10.72 0.0000
7 C2 Cg 3 5 4 3 1.551 112.704 -110.95 0.3260
8 H2 H1 E 7 5 4 1.091 107.487 172.65 0.0000
9 C3 Cg 3 7 5 4 1.547 112.398 -68.19 0.3000
10 H3 H1 E 9 7 5 1.092 108.680 71.61 0.0000
11 C4 Cg 3 9 7 5 1.555 112.948 -49.44 0.1930
12 H4 H1 E 11 9 7 1.091 109.268 -72.54 0.0000
13 C5 Cg 3 11 9 7 1.550 113.190 48.46 0.1870
14 H5 H1 E 13 11 9 1.092 106.693 67.16 0.0000
15 C6 C B 13 11 9 1.597 111.674 -179.86 0.7980
16 O6A O2 E 15 13 11 1.259 117.589 -37.92 -0.7870
17 O6B O2 E 15 13 11 1.252 118.424 145.06 -0.7870
18 O5 Os E 13 11 9 1.515 110.155 -47.11 -0.5440
19 O4 Oh S 11 9 7 1.452 109.657 168.36 -0.6820
20 H4O Ho E 19 11 9 0.983 105.869 -171.10 0.4220
21 O3 Oh S 9 7 5 1.458 107.208 -171.22 -0.7430
22 H3O Ho E 21 9 7 0.962 107.044 -49.33 0.4390
23 O2 Oh S 7 5 4 1.467 110.139 55.45 -0.7320
24 H2O Ho E 23 7 5 0.965 107.076 -40.93 0.4060
LOOP
O5 C1
DONE
1ZB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 22.370 99.121 -133.91 -0.3880
5 C1 Cg B 4 3 2 1.424 135.841 -72.27 0.2510
6 H1 H2 E 5 4 3 1.091 109.005 -22.07 0.0000
7 O5 Os S 5 4 3 1.460 105.877 -139.12 -0.4130
8 C5 Cg 3 7 5 4 1.502 116.304 -178.71 0.0750
9 H5 H1 E 8 7 5 1.092 106.868 -58.62 0.0000
10 C6 C B 8 7 5 1.584 116.788 -176.23 0.8930
11 O6B O2 E 10 8 7 1.258 117.333 -166.06 -0.8180
12 O6A O2 E 10 8 7 1.252 118.262 15.31 -0.8180
13 C4 Cg 3 8 7 5 1.542 108.303 57.48 0.2670
14 H4 H1 E 13 8 7 1.092 108.248 69.44 0.0000
15 O4 Oh S 13 8 7 1.449 108.907 -172.84 -0.7330
16 H4O Ho E 15 13 8 0.987 105.292 -42.75 0.4290
17 C3 Cg 3 13 8 7 1.552 113.280 -51.87 0.2660
18 H3 H1 E 17 13 8 1.092 108.760 -69.98 0.0000
19 O3 Oh S 17 13 8 1.459 107.412 172.72 -0.7010
20 H3O Ho E 19 17 13 0.966 105.666 48.32 0.4030
21 C2 Cg B 17 13 8 1.551 112.291 50.40 0.4110
22 H2 H1 E 21 17 13 1.092 109.200 71.99 0.0000
23 O2 Oh S 21 17 13 1.458 111.055 -168.01 -0.7400
24 H2O Ho E 23 21 17 0.962 106.072 172.93 0.4220
LOOP
C2 C1
DONE
1aA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 37.904 123.284 -139.03 -0.3880
5 C1 Cg B 4 3 2 1.435 100.379 171.32 0.4480
6 H1 H2 E 5 4 3 1.091 107.546 -13.60 0.0000
7 O5 Os S 5 4 3 1.484 111.779 -132.26 -0.5640
8 C5 Cg 3 7 5 4 1.479 117.874 -71.76 0.3790
9 H5A H1 E 8 7 5 1.091 109.412 64.62 0.0000
10 H5E H1 E 8 7 5 1.090 109.141 -176.99 0.0000
11 C4 Cg 3 8 7 5 1.532 108.551 -56.56 0.2450
12 H4 H1 E 11 8 7 1.091 108.287 -64.52 0.0000
13 O4 Oh S 11 8 7 1.437 109.023 178.50 -0.7480
14 H4O Ho E 13 11 8 0.960 109.412 -63.47 0.4340
15 C3 Cg 3 11 8 7 1.543 112.944 55.64 0.3350
16 H3 H1 E 15 11 8 1.091 109.892 -174.01 0.0000
17 O3 Oh S 15 11 8 1.441 110.011 67.03 -0.7720
18 H3O Ho E 17 15 11 0.960 109.473 179.30 0.4610
19 C2 Cg B 15 11 8 1.543 111.532 -51.47 0.2680
20 H2 H1 E 19 15 11 1.092 109.910 169.41 0.0000
21 O2 Oh S 19 15 11 1.437 107.286 -74.11 -0.7350
22 H2O Ho E 21 19 15 0.960 109.480 -58.08 0.4430
LOOP
C2 C1
DONE
1aB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.296 116.031 -131.44 -0.3880
5 C1 Cg B 4 3 2 1.417 128.504 -54.63 0.3790
6 H1 H2 E 5 4 3 1.091 108.381 -13.82 0.0000
7 C2 Cg 3 5 4 3 1.563 111.067 -134.88 0.3000
8 H2 H1 E 7 5 4 1.091 109.469 67.02 0.0000
9 C3 Cg 3 7 5 4 1.543 109.402 -172.41 0.2970
10 H3 H1 E 9 7 5 1.091 109.527 174.23 0.0000
11 C4 Cg 3 9 7 5 1.551 111.469 53.21 0.2240
12 H4 H1 E 11 9 7 1.091 108.923 64.26 0.0000
13 C5 Cg 3 11 9 7 1.546 111.087 -54.81 0.3560
14 H5A H1 E 13 11 9 1.091 110.570 -66.53 0.0000
15 H5E H1 E 13 11 9 1.090 109.958 174.33 0.0000
16 O5 Os E 13 11 9 1.485 110.184 54.27 -0.5290
17 O4 Oh S 11 9 7 1.458 110.429 -177.71 -0.7300
18 H4O Ho E 17 11 9 0.964 110.010 -85.04 0.4400
19 O3 Oh S 9 7 5 1.454 108.942 -67.85 -0.6680
20 H3O Ho E 19 9 7 0.966 107.607 169.51 0.4070
21 O2 Oh S 7 5 4 1.460 111.691 -52.86 -0.7000
22 H2O Ho E 21 7 5 0.965 107.206 46.97 0.4180
LOOP
O5 C1
DONE
1aD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.454 115.518 -131.04 -0.3880
5 C1 Cg B 4 3 2 1.417 129.202 -71.20 0.3680
6 H1 H2 E 5 4 3 1.090 110.634 112.33 0.0000
7 O4 Os S 5 4 3 1.561 107.714 -7.92 -0.4530
8 C4 Cg 3 7 5 4 1.585 113.130 -114.98 0.1470
9 H4 H1 E 8 7 5 1.091 108.094 110.87 0.0000
10 C5 Cg 3 8 7 5 1.531 111.011 -129.51 0.3380
11 H51 H1 E 10 8 7 1.090 110.161 -65.64 0.0000
12 H52 H1 E 10 8 7 1.090 110.286 174.71 0.0000
13 O5 Oh S 10 8 7 1.438 109.271 54.27 -0.6960
14 H5O Ho E 13 10 8 0.963 107.879 -70.16 0.3990
15 C3 Cg 3 8 7 5 1.617 105.385 -6.71 0.3700
16 H3 H1 E 15 8 7 1.091 110.266 -112.89 0.0000
17 O3 Oh S 15 8 7 1.445 109.680 127.75 -0.7030
18 H3O Ho E 17 15 8 0.962 109.189 179.20 0.4040
19 C2 Cg B 15 8 7 1.638 107.830 6.88 0.2780
20 H2 H1 E 19 15 8 1.092 109.588 114.25 0.0000
21 O2 Oh S 19 15 8 1.459 110.296 -126.81 -0.6880
22 H2O Ho E 21 19 15 0.962 111.196 67.05 0.4300
LOOP
C2 C1
DONE
1aU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.166 115.575 -132.42 -0.3880
5 C1 Cg B 4 3 2 1.422 154.425 -39.91 0.4770
6 H1 H2 E 5 4 3 1.090 111.169 -19.93 0.0000
7 C2 Cg 3 5 4 3 1.636 111.447 -146.05 0.3280
8 H2 H1 E 7 5 4 1.091 107.572 140.52 0.0000
9 C3 Cg 3 7 5 4 1.636 107.243 -102.43 0.2150
10 H3 H1 E 9 7 5 1.091 109.548 106.72 0.0000
11 C4 Cg 3 9 7 5 1.623 107.636 -12.21 0.3270
12 H4 H1 E 11 9 7 1.091 110.021 -108.06 0.0000
13 C5 Cg 3 11 9 7 1.536 113.561 128.49 0.2270
14 H51 H1 E 13 11 9 1.090 110.273 60.89 0.0000
15 H52 H1 E 13 11 9 1.090 110.003 -58.63 0.0000
16 O5 Oh S 13 11 9 1.440 109.976 -178.69 -0.6500
17 H5O Ho E 16 13 11 0.963 109.100 48.75 0.3970
18 O4 Os E 11 9 7 1.592 104.988 8.35 -0.5320
19 O3 Oh S 9 7 5 1.449 110.684 -133.44 -0.7280
20 H3O Ho E 19 9 7 0.965 109.557 -66.15 0.4370
21 O2 Oh S 7 5 4 1.456 114.449 20.46 -0.7210
22 H2O Ho E 21 7 5 0.967 108.079 -13.83 0.4170
LOOP
O4 C1
DONE
1bA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.597 116.875 -129.05 0.1300
5 O6 Os S 4 3 2 1.483 117.931 41.66 -0.5070
6 C6 Cg 3 5 4 3 1.491 117.309 -140.69 0.3410
7 H6A H1 E 6 5 4 1.091 108.839 69.58 0.0000
8 H6E H1 E 6 5 4 1.090 108.907 -173.08 0.0000
9 C5 Cg 3 6 5 4 1.544 111.103 -51.77 0.2240
10 H5 H1 E 9 6 5 1.091 108.357 -70.02 0.0000
11 O5 Oh S 9 6 5 1.455 108.467 172.51 -0.6900
12 H5O Ho E 11 9 6 0.963 109.307 159.42 0.4290
13 C4 Cg 3 9 6 5 1.550 111.673 50.56 0.3350
14 H4 H1 E 13 9 6 1.092 110.207 65.56 0.0000
15 O4 Oh S 13 9 6 1.461 109.228 -175.33 -0.7240
16 H4O Ho E 15 13 9 0.964 108.580 -89.49 0.4210
17 C3 Cg B 13 9 6 1.548 109.394 -55.39 0.3720
18 H3 H1 E 17 13 9 1.092 107.364 -59.65 0.0000
19 O3 Oh S 17 13 9 1.456 111.878 -176.69 -0.7160
20 H3O Ho E 19 17 13 0.964 107.033 43.80 0.4300
21 C1 Cg M 4 3 2 1.560 38.289 130.05 0.4280
22 H11 H1 E 21 4 3 1.090 109.813 -63.29 0.0000
23 H12 H1 E 21 4 3 1.091 110.098 55.13 0.0000
24 O1 Os M 21 4 3 1.443 112.003 175.62 -0.4730
LOOP
C3 C2
DONE
1bB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.272 115.141 -133.35 0.2270
5 C3 Cg 3 4 3 2 1.564 137.751 -159.39 0.4640
6 H3 H1 E 5 4 3 1.092 108.642 -99.82 0.0000
7 C4 Cg 3 5 4 3 1.550 112.585 140.12 0.1080
8 H4 H1 E 7 5 4 1.092 109.044 -68.01 0.0000
9 C5 Cg 3 7 5 4 1.545 110.670 52.19 0.3400
10 H5 H1 E 9 7 5 1.091 109.543 69.26 0.0000
11 C6 Cg 3 9 7 5 1.543 112.662 -52.18 0.3110
12 H6A H1 E 11 9 7 1.091 110.545 -68.04 0.0000
13 H6E H1 E 11 9 7 1.090 110.160 172.58 0.0000
14 O6 Os E 11 9 7 1.485 109.751 52.43 -0.4770
15 O5 Oh S 9 7 5 1.444 107.942 -172.32 -0.7200
16 H5O Ho E 15 9 7 0.966 106.322 -48.08 0.4290
17 O4 Oh S 7 5 4 1.460 110.433 173.08 -0.6750
18 H4O Ho E 17 7 5 0.968 108.634 54.62 0.4350
19 O3 Oh S 5 4 3 1.453 110.350 18.53 -0.7300
20 H3O Ho E 19 5 4 0.965 106.403 -56.73 0.4320
21 C1 Cg M 4 3 2 1.563 58.191 -68.63 0.2810
22 H11 H1 E 21 4 3 1.090 110.121 173.79 0.0000
23 H12 H1 E 21 4 3 1.091 110.325 -67.50 0.0000
24 O1 Os M 21 4 3 1.444 111.743 53.37 -0.4250
LOOP
O6 C2
DONE
1bD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410
5 O5 Os S 4 3 2 1.565 96.957 71.60 -0.4520
6 C5 Cg 3 5 4 3 1.587 113.494 153.37 0.2710
7 H5 H1 E 6 5 4 1.091 109.010 115.27 0.0000
8 C6 Cg 3 6 5 4 1.543 109.502 -125.08 0.2810
9 H61 H1 E 8 6 5 1.090 110.249 169.67 0.0000
10 H62 H1 E 8 6 5 1.091 109.980 50.42 0.0000
11 O6 Oh S 8 6 5 1.443 110.886 -70.57 -0.6790
12 H6O Ho E 11 8 6 0.959 110.164 -69.40 0.4110
13 C4 Cg 3 6 5 4 1.626 104.732 -0.82 0.2250
14 H4 H1 E 13 6 5 1.091 107.421 106.22 0.0000
15 O4 Oh S 13 6 5 1.457 113.168 -134.63 -0.7100
16 H4O Ho E 15 13 6 0.965 109.577 -164.20 0.4350
17 C3 Cg B 13 6 5 1.636 107.413 -10.45 0.4400
18 H3 H1 E 17 13 6 1.090 107.628 -98.64 0.0000
19 O3 Oh S 17 13 6 1.453 110.696 144.44 -0.7320
20 H3O Ho E 19 17 13 0.959 109.052 117.13 0.4040
21 C1 Cg M 4 3 2 1.546 22.070 -155.25 0.3130
22 H11 H1 E 21 4 3 1.091 109.856 0.87 0.0000
23 H12 H1 E 21 4 3 1.090 110.325 119.99 0.0000
24 O1 Os M 21 4 3 1.443 110.871 -119.49 -0.4480
LOOP
C3 C2
DONE
1bU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470
5 C3 Cg 3 4 3 2 1.635 135.193 -142.32 0.3820
6 H3 H1 E 5 4 3 1.091 108.980 -85.98 0.0000
7 C4 Cg 3 5 4 3 1.637 107.249 157.15 0.2830
8 H4 H1 E 7 5 4 1.091 108.865 -102.82 0.0000
9 C5 Cg 3 7 5 4 1.624 107.577 13.45 0.2100
10 H5 H1 E 9 7 5 1.091 108.969 -127.62 0.0000
11 C6 Cg 3 9 7 5 1.541 114.994 109.54 0.3320
12 H61 H1 E 11 9 7 1.090 109.861 59.82 0.0000
13 H62 H1 E 11 9 7 1.090 110.302 -59.54 0.0000
14 O6 Oh S 11 9 7 1.442 110.695 179.56 -0.7010
15 H6O Ho E 14 11 9 0.959 110.169 -52.94 0.4090
16 O5 Os E 9 7 5 1.582 104.801 -11.31 -0.3850
17 O4 Oh S 7 5 4 1.453 111.864 137.73 -0.7550
18 H4O Ho E 17 7 5 0.964 109.402 67.17 0.4340
19 O3 Oh S 5 4 3 1.455 113.678 34.22 -0.7420
20 H3O Ho E 19 5 4 0.963 108.479 -78.45 0.4260
21 C1 Cg M 4 3 2 1.553 43.383 -64.68 0.2990
22 H11 H1 E 21 4 3 1.091 109.538 173.60 0.0000
23 H12 H1 E 21 4 3 1.091 110.361 -67.58 0.0000
24 O1 Os M 21 4 3 1.445 111.462 53.50 -0.4390
LOOP
O5 C2
DONE
1cA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.586 116.969 -129.11 0.3450
5 O6 Os S 4 3 2 1.483 117.808 35.58 -0.6200
6 C6 Cg 3 5 4 3 1.483 118.572 -140.03 0.4370
7 H6A H1 E 6 5 4 1.091 109.541 67.42 0.0000
8 H6E H1 E 6 5 4 1.090 108.752 -174.83 0.0000
9 C5 Cg 3 6 5 4 1.538 109.646 -54.60 0.1950
10 H5 H1 E 9 6 5 1.091 108.701 -59.59 0.0000
11 O5 Oh S 9 6 5 1.462 111.474 -178.00 -0.7090
12 H5O Ho E 11 9 6 0.964 110.741 83.12 0.4150
13 C4 Cg 3 9 6 5 1.544 109.577 58.96 0.3670
14 H4 H1 E 13 9 6 1.091 108.427 -177.56 0.0000
15 O4 Oh S 13 9 6 1.450 110.035 65.74 -0.7200
16 H4O Ho E 15 13 9 0.965 107.347 50.59 0.3940
17 C3 Cg B 13 9 6 1.551 112.343 -57.29 0.2470
18 H3 H1 E 17 13 9 1.092 108.943 168.11 0.0000
19 O3 Oh S 17 13 9 1.466 107.388 -76.78 -0.6550
20 H3O Ho E 19 17 13 0.965 109.737 -75.75 0.4060
21 C1 Cg M 4 3 2 1.567 44.165 126.75 0.3860
22 H11 H1 E 21 4 3 1.091 110.132 -50.25 0.0000
23 H12 H1 E 21 4 3 1.091 109.446 67.92 0.0000
24 O1 Os M 21 4 3 1.446 112.801 -171.35 -0.4880
LOOP
C3 C2
DONE
1cB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.348 115.227 -133.37 0.2440
5 C3 Cg 3 4 3 2 1.569 136.938 -155.77 0.3170
6 H3 H1 E 5 4 3 1.091 109.321 19.65 0.0000
7 C4 Cg 3 5 4 3 1.551 113.143 142.19 0.3440
8 H4 H1 E 7 5 4 1.091 109.341 168.38 0.0000
9 C5 Cg 3 7 5 4 1.549 111.995 47.93 0.1950
10 H5 H1 E 9 7 5 1.091 108.324 67.05 0.0000
11 C6 Cg 3 9 7 5 1.539 112.024 -51.70 0.3650
12 H6A H1 E 11 9 7 1.091 110.698 -66.37 0.0000
13 H6E H1 E 11 9 7 1.090 110.083 174.22 0.0000
14 O6 Os E 11 9 7 1.482 109.460 54.46 -0.4600
15 O5 Oh S 9 7 5 1.457 110.756 -175.28 -0.6840
16 H5O Ho E 15 9 7 0.965 109.084 44.29 0.4150
17 O4 Oh S 7 5 4 1.459 109.536 -74.38 -0.6980
18 H4O Ho E 17 7 5 0.964 108.929 -91.80 0.4170
19 O3 Oh S 5 4 3 1.453 110.172 -98.32 -0.6970
20 H3O Ho E 19 5 4 0.968 105.774 30.26 0.4070
21 C1 Cg M 4 3 2 1.563 56.302 -67.37 0.2970
22 H11 H1 E 21 4 3 1.088 110.800 167.68 0.0000
23 H12 H1 E 21 4 3 1.091 110.065 -73.30 0.0000
24 O1 Os M 21 4 3 1.447 111.733 47.62 -0.4620
LOOP
O6 C2
DONE
1cD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840
5 O5 Os S 4 3 2 1.564 97.899 67.10 -0.4980
6 C5 Cg 3 5 4 3 1.584 113.350 147.62 0.3090
7 H5 H1 E 6 5 4 1.092 109.375 118.93 0.0000
8 C6 Cg 3 6 5 4 1.538 110.489 -119.98 0.2650
9 H61 H1 E 8 6 5 1.090 109.956 165.98 0.0000
10 H62 H1 E 8 6 5 1.091 109.952 47.12 0.0000
11 O6 Oh S 8 6 5 1.442 111.246 -74.00 -0.6640
12 H6O Ho E 11 8 6 0.960 110.855 -67.48 0.4120
13 C4 Cg 3 6 5 4 1.621 104.926 0.33 0.3320
14 H4 H1 E 13 6 5 1.091 111.196 -131.00 0.0000
15 O4 Oh S 13 6 5 1.453 109.530 109.63 -0.7840
16 H4O Ho E 15 13 6 0.965 110.375 -68.04 0.4440
17 C3 Cg B 13 6 5 1.638 107.987 -8.85 0.2820
18 H3 H1 E 17 13 6 1.091 111.251 134.95 0.0000
19 O3 Oh S 17 13 6 1.460 108.216 -106.61 -0.7160
20 H3O Ho E 19 17 13 0.965 109.355 -77.40 0.4320
21 C1 Cg M 4 3 2 1.556 17.540 -147.50 0.3700
22 H11 H1 E 21 4 3 1.091 110.210 18.90 0.0000
23 H12 H1 E 21 4 3 1.091 109.651 137.75 0.0000
24 O1 Os M 21 4 3 1.441 111.328 -102.08 -0.4680
LOOP
C3 C2
DONE
1cU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390
5 C3 Cg 3 4 3 2 1.636 113.047 -107.26 0.3330
6 H3 H1 E 5 4 3 1.091 111.948 41.20 0.0000
7 C4 Cg 3 5 4 3 1.624 107.103 164.76 0.2930
8 H4 H1 E 7 5 4 1.092 112.868 136.79 0.0000
9 C5 Cg 3 7 5 4 1.622 107.882 12.29 0.3100
10 H5 H1 E 9 7 5 1.092 110.981 -127.12 0.0000
11 C6 Cg 3 9 7 5 1.529 112.711 109.36 0.2720
12 H61 H1 E 11 9 7 1.090 110.315 59.90 0.0000
13 H62 H1 E 11 9 7 1.091 110.618 -60.32 0.0000
14 O6 Oh S 11 9 7 1.433 108.667 179.51 -0.6520
15 H6O Ho E 14 11 9 0.960 109.494 -59.32 0.3970
16 O5 Os E 9 7 5 1.577 105.503 -8.77 -0.4490
17 O4 Oh S 7 5 4 1.434 107.032 -103.41 -0.7630
18 H4O Ho E 17 7 5 0.960 109.480 178.44 0.4310
19 O3 Oh S 5 4 3 1.439 111.311 -80.89 -0.6910
20 H3O Ho E 19 5 4 0.960 109.418 61.51 0.4100
21 C1 Cg M 4 3 2 1.537 53.448 -6.93 0.2870
22 H11 H1 E 21 4 3 1.091 109.952 -154.15 0.0000
23 H12 H1 E 21 4 3 1.091 110.638 -34.86 0.0000
24 O1 Os M 21 4 3 1.437 110.256 86.15 -0.4170
LOOP
O5 C2
DONE
1dA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.281 115.762 -131.43 -0.3880
5 C1 Cg B 4 3 2 1.420 140.263 -63.74 0.3980
6 H1 H2 E 5 4 3 1.090 108.217 120.14 0.0000
7 O5 Os S 5 4 3 1.470 107.879 3.11 -0.4870
8 C5 Cg 3 7 5 4 1.490 117.560 -74.08 0.2750
9 H5A H1 E 8 7 5 1.092 108.478 71.52 0.0000
10 H5E H1 E 8 7 5 1.090 108.927 -171.44 0.0000
11 C4 Cg 3 8 7 5 1.543 111.684 -49.69 0.3510
12 H4 H1 E 11 8 7 1.091 109.854 -69.03 0.0000
13 O4 Oh S 11 8 7 1.447 108.472 171.92 -0.7110
14 H4O Ho E 13 11 8 0.966 106.152 -168.99 0.4220
15 C3 Cg 3 11 8 7 1.545 110.247 52.70 0.1840
16 H3 H1 E 15 11 8 1.091 108.583 60.91 0.0000
17 O3 Oh S 15 11 8 1.459 110.859 178.21 -0.6550
18 H3O Ho E 17 15 11 0.962 110.146 169.76 0.4170
19 C2 Cg B 15 11 8 1.549 111.008 -57.45 0.2460
20 H2 H1 E 19 15 11 1.091 109.256 175.96 0.0000
21 O2 Oh S 19 15 11 1.458 110.247 -65.62 -0.6780
22 H2O Ho E 21 19 15 0.962 110.757 -168.88 0.4320
LOOP
C2 C1
DONE
1dB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.124 115.720 -131.55 -0.3880
5 C1 Cg B 4 3 2 1.435 106.152 104.80 0.4480
6 H1 H2 E 5 4 3 1.091 107.724 -109.76 0.0000
7 C2 Cg 3 5 4 3 1.543 109.519 131.19 0.2260
8 H2 H1 E 7 5 4 1.091 110.247 58.90 0.0000
9 C3 Cg 3 7 5 4 1.543 109.102 179.97 0.2010
10 H3 H1 E 9 7 5 1.092 108.078 -65.99 0.0000
11 C4 Cg 3 9 7 5 1.543 112.432 54.46 0.3350
12 H4 H1 E 11 9 7 1.091 110.326 70.31 0.0000
13 C5 Cg 3 11 9 7 1.539 111.797 -51.79 0.2750
14 H5A H1 E 13 11 9 1.092 110.541 -69.74 0.0000
15 H5E H1 E 13 11 9 1.090 110.214 170.80 0.0000
16 O5 Os E 13 11 9 1.480 110.071 50.34 -0.5190
17 O4 Oh S 11 9 7 1.436 108.765 -169.83 -0.7090
18 H4O Ho E 17 11 9 0.960 109.449 -59.99 0.4360
19 O3 Oh S 9 7 5 1.440 109.342 176.73 -0.7010
20 H3O Ho E 19 9 7 0.960 109.476 177.81 0.4320
21 O2 Oh S 7 5 4 1.446 108.761 -60.79 -0.6450
22 H2O Ho E 21 7 5 0.960 109.425 59.50 0.4150
LOOP
O5 C1
DONE
1dD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.206 115.834 -131.52 -0.3880
5 C1 Cg B 4 3 2 1.420 137.550 -61.04 0.3800
6 H1 H1 E 5 4 3 1.090 110.275 104.94 0.0000
7 O4 Os S 5 4 3 1.562 109.004 -15.37 -0.4230
8 C4 Cg 3 7 5 4 1.588 112.912 -119.05 0.1890
9 H4 H1 E 8 7 5 1.091 107.600 104.77 0.0000
10 C5 Cg 3 8 7 5 1.537 110.486 -136.68 0.3050
11 H51 H1 E 10 8 7 1.090 110.600 57.42 0.0000
12 H52 H1 E 10 8 7 1.090 110.349 177.71 0.0000
13 O5 Oh S 10 8 7 1.438 108.908 -62.47 -0.6970
14 H5O Ho E 13 10 8 0.962 108.141 56.44 0.4140
15 C3 Cg 3 8 7 5 1.624 104.960 -9.27 0.2980
16 H3 H1 E 15 8 7 1.090 111.418 136.70 0.0000
17 O3 Oh S 15 8 7 1.446 109.315 -102.58 -0.6780
18 H3O Ho E 17 15 8 0.969 106.468 140.77 0.4170
19 C2 Cg B 15 8 7 1.641 106.916 15.19 0.2290
20 H2 H1 E 19 15 8 1.091 107.286 100.85 0.0000
21 O2 Oh S 19 15 8 1.459 112.998 -140.55 -0.6510
22 H2O Ho E 21 19 15 0.964 109.258 -171.53 0.4110
LOOP
C2 C1
DONE
1dU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 33.015 116.507 -130.78 -0.3880
5 C1 Cg B 4 3 2 1.419 100.302 -54.90 0.4360
6 H1 H2 E 5 4 3 1.090 110.301 -7.45 0.0000
7 C2 Cg 3 5 4 3 1.640 113.439 -132.01 0.2840
8 H2 H1 E 7 5 4 1.089 110.427 110.40 0.0000
9 C3 Cg 3 7 5 4 1.642 106.290 -129.39 0.3000
10 H3 H1 E 9 7 5 1.091 107.886 -101.19 0.0000
11 C4 Cg 3 9 7 5 1.620 107.806 14.92 0.1350
12 H4 H1 E 11 9 7 1.091 108.974 -127.93 0.0000
13 C5 Cg 3 11 9 7 1.542 114.725 109.52 0.3730
14 H51 H1 E 13 11 9 1.090 109.887 61.57 0.0000
15 H52 H1 E 13 11 9 1.091 110.456 -58.00 0.0000
16 O5 Oh S 13 11 9 1.439 110.322 -178.69 -0.7250
17 H5O Ho E 16 13 11 0.959 109.321 -36.11 0.4180
18 O4 Os E 11 9 7 1.588 104.668 -11.75 -0.5170
19 O3 Oh S 9 7 5 1.446 112.188 139.89 -0.6420
20 H3O Ho E 19 9 7 0.970 106.239 -9.38 0.4050
21 O2 Oh S 7 5 4 1.464 111.148 -10.56 -0.6800
22 H2O Ho E 21 7 5 0.969 107.470 22.02 0.4070
LOOP
O4 C1
DONE
1eA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 37.988 123.384 -139.16 -0.3880
5 C1 Cg B 4 3 2 1.434 89.120 170.51 0.4800
6 H1 H2 E 5 4 3 1.091 107.564 -8.71 0.0000
7 O5 Os S 5 4 3 1.482 111.794 -127.37 -0.5870
8 C5 Cg 3 7 5 4 1.485 118.529 -71.27 0.3740
9 H5 H1 E 8 7 5 1.092 108.827 62.09 0.0000
10 C6 Cg 3 8 7 5 1.535 107.746 -179.76 0.2590
11 H61 H1 E 10 8 7 1.091 110.727 55.96 0.0000
12 H62 H1 E 10 8 7 1.090 110.525 176.17 0.0000
13 O6 Oh S 10 8 7 1.434 108.916 -64.43 -0.6630
14 H6O Ho E 13 10 8 0.960 109.470 -59.69 0.4060
15 C4 Cg 3 8 7 5 1.541 107.816 -56.28 0.2610
16 H4 H1 E 15 8 7 1.091 108.456 -65.22 0.0000
17 O4 Oh S 15 8 7 1.439 109.886 177.28 -0.7210
18 H4O Ho E 17 15 8 0.960 109.412 -63.34 0.4150
19 C3 Cg 3 15 8 7 1.544 113.133 54.81 0.3280
20 H3 H1 E 19 15 8 1.091 109.843 -174.05 0.0000
21 O3 Oh S 19 15 8 1.442 110.012 67.08 -0.7140
22 H3O Ho E 21 19 15 0.960 109.461 179.72 0.4200
23 C2 Cg B 19 15 8 1.541 111.809 -51.50 0.1790
24 H2 H1 E 23 19 15 1.092 109.967 169.74 0.0000
25 O2 Oh S 23 19 15 1.437 107.327 -73.67 -0.6900
26 H2O Ho E 25 23 19 0.960 109.486 -178.36 0.4470
LOOP
C2 C1
DONE
1eB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.278 116.024 -131.53 -0.3880
5 C1 Cg B 4 3 2 1.414 129.389 -53.78 0.4880
6 H1 H2 E 5 4 3 1.090 108.616 -14.42 0.0000
7 C2 Cg 3 5 4 3 1.560 110.470 -135.94 0.1840
8 H2 H1 E 7 5 4 1.091 109.457 66.19 0.0000
9 C3 Cg 3 7 5 4 1.540 108.887 -173.70 0.3150
10 H3 H1 E 9 7 5 1.091 109.473 176.26 0.0000
11 C4 Cg 3 9 7 5 1.554 111.264 55.47 0.3200
12 H4 H1 E 11 9 7 1.091 108.716 63.72 0.0000
13 C5 Cg 3 11 9 7 1.549 111.196 -55.77 0.2570
14 H5 H1 E 13 11 9 1.092 109.111 -65.44 0.0000
15 C6 Cg 3 13 11 9 1.541 112.018 174.42 0.2780
16 H61 H1 E 15 13 11 1.090 110.614 60.34 0.0000
17 H62 H1 E 15 13 11 1.091 110.136 -59.38 0.0000
18 O6 Oh S 15 13 11 1.439 109.977 -179.42 -0.6770
19 H6O Ho E 18 15 13 0.962 108.042 50.79 0.4080
20 O5 Os E 13 11 9 1.501 109.730 53.07 -0.5320
21 O4 Oh S 11 9 7 1.457 110.079 -178.65 -0.7240
22 H4O Ho E 21 11 9 0.964 110.039 -78.83 0.4200
23 O3 Oh S 9 7 5 1.454 108.210 -66.23 -0.6810
24 H3O Ho E 23 9 7 0.965 108.397 172.17 0.4030
25 O2 Oh S 7 5 4 1.463 112.571 -54.19 -0.6970
26 H2O Ho E 25 7 5 0.966 108.305 55.11 0.4320
LOOP
O5 C1
DONE
1fA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.176 115.557 -131.45 -0.3880
5 C1 Cg B 4 3 2 1.431 140.316 -67.17 0.3990
6 H1 H2 E 5 4 3 1.090 108.523 116.59 0.0000
7 O5 Os S 5 4 3 1.472 106.355 0.06 -0.4940
8 C5 Cg 3 7 5 4 1.495 116.875 -70.96 0.1870
9 H5 H1 E 8 7 5 1.091 107.622 67.25 0.0000
10 C6 Cg 3 8 7 5 1.531 107.907 -177.50 0.0650
11 H61 Hc E 10 8 7 1.091 112.013 60.69 0.0000
12 H62 Hc E 10 8 7 1.091 111.136 -59.35 0.0000
13 H63 Hc E 10 8 7 1.090 111.280 -178.78 0.0000
14 C4 Cg 3 8 7 5 1.554 111.650 -50.04 0.2630
15 H4 H1 E 14 8 7 1.091 108.736 170.14 0.0000
16 O4 Oh S 14 8 7 1.452 110.366 -71.52 -0.7390
17 H4O Ho E 16 14 8 0.966 107.152 175.93 0.4470
18 C3 Cg 3 14 8 7 1.549 111.442 50.00 0.2280
19 H3 H1 E 18 14 8 1.091 108.535 63.68 0.0000
20 O3 Oh S 18 14 8 1.464 109.243 -179.40 -0.6930
21 H3O Ho E 20 18 14 0.965 108.720 -158.83 0.4260
22 C2 Cg B 18 14 8 1.550 109.944 -55.77 0.4560
23 H2 H1 E 22 18 14 1.091 109.004 -59.37 0.0000
24 O2 Oh S 22 18 14 1.463 111.178 -176.89 -0.8040
25 H2O Ho E 24 22 18 0.961 108.560 80.99 0.4530
LOOP
C2 C1
DONE
1fB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 37.963 123.669 -139.62 -0.3880
5 C1 Cg B 4 3 2 1.434 141.378 -30.17 0.4180
6 H1 H2 E 5 4 3 1.091 108.663 22.06 0.0000
7 C2 Cg 3 5 4 3 1.545 108.452 -97.89 0.3460
8 H2 H1 E 7 5 4 1.092 110.063 -46.99 0.0000
9 C3 Cg 3 7 5 4 1.542 111.933 -169.61 0.2550
10 H3 H1 E 9 7 5 1.092 108.986 -69.25 0.0000
11 C4 Cg 3 9 7 5 1.542 112.898 50.54 0.2290
12 H4 H1 E 11 9 7 1.091 109.948 -175.33 0.0000
13 C5 Cg 3 11 9 7 1.543 109.625 -54.44 0.1060
14 H5 H1 E 13 11 9 1.092 108.258 -61.07 0.0000
15 C6 Cg 3 13 11 9 1.531 115.663 178.40 0.0920
16 H61 Hc E 15 13 11 1.091 111.160 177.14 0.0000
17 H62 Hc E 15 13 11 1.091 112.070 -62.71 0.0000
18 H63 Hc E 15 13 11 1.091 111.199 57.72 0.0000
19 O5 Os E 13 11 9 1.481 108.818 56.43 -0.4420
20 O4 Oh S 11 9 7 1.445 109.758 64.85 -0.6590
21 H4O Ho E 20 11 9 0.960 109.451 -179.30 0.4230
22 O3 Oh S 9 7 5 1.440 109.807 172.76 -0.6760
23 H3O Ho E 22 9 7 0.960 109.419 57.20 0.4270
24 O2 Oh S 7 5 4 1.439 107.580 72.10 -0.7650
25 H2O Ho E 24 7 5 0.960 109.418 -59.18 0.4400
LOOP
O5 C1
DONE
1gA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.211 115.645 -131.37 -0.3880
5 C1 Cg B 4 3 2 1.420 101.201 131.48 0.5090
6 H1 H2 E 5 4 3 1.090 108.849 13.03 0.0000
7 O5 Os S 5 4 3 1.462 106.342 -104.14 -0.5740
8 C5 Cg 3 7 5 4 1.500 117.884 -69.40 0.2830
9 H5 H1 E 8 7 5 1.092 108.316 63.90 0.0000
10 C6 Cg 3 8 7 5 1.546 109.651 -177.94 0.2760
11 H61 H1 E 10 8 7 1.091 110.014 48.88 0.0000
12 H62 H1 E 10 8 7 1.090 110.682 168.12 0.0000
13 O6 Oh S 10 8 7 1.444 110.823 -72.03 -0.6820
14 H6O Ho E 13 10 8 0.960 109.735 -78.35 0.4180
15 C4 Cg 3 8 7 5 1.543 109.539 -53.99 0.2540
16 H4 H1 E 15 8 7 1.092 109.342 -68.48 0.0000
17 O4 Oh S 15 8 7 1.451 108.995 172.71 -0.7100
18 H4O Ho E 17 15 8 0.968 107.227 -172.23 0.4360
19 C3 Cg 3 15 8 7 1.547 111.254 52.54 0.2860
20 H3 H1 E 19 15 8 1.092 109.616 66.99 0.0000
21 O3 Oh S 19 15 8 1.452 108.604 -174.42 -0.6990
22 H3O Ho E 21 19 15 0.967 107.382 165.20 0.4270
23 C2 Cg B 19 15 8 1.543 112.114 -54.50 0.2460
24 H2 H1 E 23 19 15 1.091 108.373 -65.99 0.0000
25 O2 Oh S 23 19 15 1.465 110.086 176.46 -0.7130
26 H2O Ho E 25 23 19 0.967 109.170 -83.89 0.4370
LOOP
C2 C1
DONE
1gB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.429 116.204 -131.81 -0.3880
5 C1 Cg B 4 3 2 1.419 129.140 -49.27 0.3840
6 H1 H2 E 5 4 3 1.091 109.169 -18.22 0.0000
7 C2 Cg 3 5 4 3 1.554 109.984 -140.30 0.3100
8 H2 H1 E 7 5 4 1.092 109.248 -50.06 0.0000
9 C3 Cg 3 7 5 4 1.545 110.380 -170.39 0.2840
10 H3 H1 E 9 7 5 1.092 109.008 -69.00 0.0000
11 C4 Cg 3 9 7 5 1.548 112.113 51.91 0.2760
12 H4 H1 E 11 9 7 1.092 109.378 67.39 0.0000
13 C5 Cg 3 11 9 7 1.543 111.306 -53.55 0.2250
14 H5 H1 E 13 11 9 1.092 109.126 -64.00 0.0000
15 C6 Cg 3 13 11 9 1.541 112.515 175.39 0.2820
16 H61 H1 E 15 13 11 1.090 110.609 61.43 0.0000
17 H62 H1 E 15 13 11 1.091 110.212 -58.37 0.0000
18 O6 Oh S 15 13 11 1.440 109.810 -178.39 -0.6880
19 H6O Ho E 18 15 13 0.962 108.265 53.10 0.4240
20 O5 Os E 13 11 9 1.495 108.909 54.04 -0.4710
21 O4 Oh S 11 9 7 1.448 109.104 -173.75 -0.7140
22 H4O Ho E 21 11 9 0.967 107.435 -50.50 0.4400
23 O3 Oh S 9 7 5 1.454 109.219 172.60 -0.7090
24 H3O Ho E 23 9 7 0.967 107.396 52.27 0.4320
25 O2 Oh S 7 5 4 1.458 110.080 69.27 -0.7180
26 H2O Ho E 25 7 5 0.966 108.053 -54.43 0.4370
LOOP
O5 C1
DONE
1hA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.326 115.258 -131.33 -0.3880
5 C1 Cg B 4 3 2 1.424 136.483 -75.21 0.3940
6 H1 H2 E 5 4 3 1.090 108.213 120.96 0.0000
7 O5 Os S 5 4 3 1.473 107.892 3.71 -0.4610
8 C5 Cg 3 7 5 4 1.486 117.952 -72.26 0.2790
9 H5 H1 E 8 7 5 1.092 108.099 67.53 0.0000
10 C6 Cg 3 8 7 5 1.530 106.736 -176.09 0.0230
11 H61 Hc E 10 8 7 1.091 111.668 63.20 0.0000
12 H62 Hc E 10 8 7 1.091 111.314 -56.98 0.0000
13 H63 Hc E 10 8 7 1.090 111.509 -176.49 0.0000
14 C4 Cg 3 8 7 5 1.549 110.695 -51.67 0.1870
15 H4 H1 E 14 8 7 1.091 109.781 -68.51 0.0000
16 O4 Oh S 14 8 7 1.456 109.491 172.11 -0.6440
17 H4O Ho E 16 14 8 0.963 110.183 73.83 0.4050
18 C3 Cg 3 14 8 7 1.545 110.317 52.49 0.2360
19 H3 H1 E 18 14 8 1.092 108.830 64.14 0.0000
20 O3 Oh S 18 14 8 1.452 109.689 -178.23 -0.6490
21 H3O Ho E 20 18 14 0.965 106.808 -52.52 0.4250
22 C2 Cg B 18 14 8 1.545 112.380 -55.89 0.2480
23 H2 H1 E 22 18 14 1.091 109.364 174.25 0.0000
24 O2 Oh S 22 18 14 1.456 109.714 -67.50 -0.6700
25 H2O Ho E 24 22 18 0.965 106.818 -49.47 0.4210
LOOP
C2 C1
DONE
1hB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 40.831 125.420 -152.62 -0.3880
5 C1 Cg B 4 3 2 1.435 146.079 -36.72 0.3810
6 H1 H2 E 5 4 3 1.091 107.762 -169.28 0.0000
7 C2 Cg 3 5 4 3 1.542 109.534 71.54 0.2430
8 H2 H1 E 7 5 4 1.091 110.263 58.64 0.0000
9 C3 Cg 3 7 5 4 1.542 108.951 179.63 0.1820
10 H3 H1 E 9 7 5 1.092 107.999 -65.80 0.0000
11 C4 Cg 3 9 7 5 1.543 112.684 54.72 0.3880
12 H4 H1 E 11 9 7 1.092 109.930 71.13 0.0000
13 C5 Cg 3 11 9 7 1.547 112.131 -51.25 0.1720
14 H5 H1 E 13 11 9 1.092 109.230 -69.17 0.0000
15 C6M Cg 3 13 11 9 1.530 114.214 169.13 0.0390
16 H3M Hc E 15 13 11 1.091 111.441 61.33 0.0000
17 H2M Hc E 15 13 11 1.091 111.709 -58.98 0.0000
18 H1M Hc E 15 13 11 1.091 111.297 -179.18 0.0000
19 O5 Os E 13 11 9 1.483 109.717 48.94 -0.4270
20 O4 Oh S 11 9 7 1.438 108.082 -169.72 -0.7280
21 H4O Ho E 20 11 9 0.960 109.440 -179.68 0.4320
22 O3 Oh S 9 7 5 1.440 109.222 177.05 -0.6650
23 H3O Ho E 22 9 7 0.960 109.425 178.23 0.4180
24 O2 Oh S 7 5 4 1.446 108.900 -61.17 -0.6730
25 H2O Ho E 24 7 5 0.960 109.408 -178.72 0.4320
LOOP
O5 C1
DONE
1jA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.606 116.955 -129.13 0.1140
5 O6 Os S 4 3 2 1.482 115.122 42.33 -0.5040
6 C6 Cg 3 5 4 3 1.489 118.583 -143.57 0.3680
7 H6A H1 E 6 5 4 1.091 108.585 71.14 0.0000
8 H6E H1 E 6 5 4 1.090 108.936 -171.67 0.0000
9 C5 Cg 3 6 5 4 1.541 111.422 -50.10 0.2730
10 H5 H1 E 9 6 5 1.091 109.320 -69.49 0.0000
11 O5 Oh S 9 6 5 1.453 108.662 172.04 -0.6990
12 H5O Ho E 11 9 6 0.965 108.090 -177.58 0.4190
13 C4 Cg 3 9 6 5 1.547 110.532 51.66 0.2810
14 H4 H1 E 13 9 6 1.091 108.842 63.65 0.0000
15 O4 Oh S 13 9 6 1.460 110.450 -178.37 -0.6720
16 H4O Ho E 15 13 9 0.964 109.388 -155.63 0.4130
17 C3 Cg B 13 9 6 1.550 111.417 -56.44 0.2710
18 H3 H1 E 17 13 9 1.091 109.045 176.24 0.0000
19 O3 Oh S 17 13 9 1.458 108.952 -66.09 -0.6540
20 H3O Ho E 19 17 13 0.966 107.634 -43.74 0.4250
21 C1 Cg M 4 3 2 1.562 37.871 133.82 0.4100
22 H11 H1 E 21 4 3 1.091 110.432 -44.43 0.0000
23 H12 H1 E 21 4 3 1.091 109.780 74.50 0.0000
24 O1 Os M 21 4 3 1.437 111.258 -165.16 -0.4450
LOOP
C3 C2
DONE
1jB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.167 115.000 -133.41 0.4130
5 C3 Cg 3 4 3 2 1.569 133.651 -166.33 0.3630
6 H3 H1 E 5 4 3 1.091 109.772 23.93 0.0000
7 C4 Cg 3 5 4 3 1.551 110.614 144.95 0.1550
8 H4 H1 E 7 5 4 1.090 108.392 -65.40 0.0000
9 C5 Cg 3 7 5 4 1.550 111.966 54.12 0.3740
10 H5 H1 E 9 7 5 1.091 109.534 68.96 0.0000
11 C6 Cg 3 9 7 5 1.547 111.895 -52.01 0.2920
12 H6A H1 E 11 9 7 1.091 110.065 -70.83 0.0000
13 H6E H1 E 11 9 7 1.090 109.985 170.44 0.0000
14 O6 Os E 11 9 7 1.484 111.063 49.63 -0.5510
15 O5 Oh S 9 7 5 1.455 108.361 -172.59 -0.7290
16 H5O Ho E 15 9 7 0.962 111.074 69.64 0.4260
17 O4 Oh S 7 5 4 1.459 109.947 177.92 -0.6840
18 H4O Ho E 17 7 5 0.968 109.165 -169.60 0.4380
19 O3 Oh S 5 4 3 1.461 111.127 -95.90 -0.7250
20 H3O Ho E 19 5 4 0.967 106.570 -171.29 0.4320
21 C1 Cg M 4 3 2 1.565 63.386 -70.64 0.2800
22 H11 H1 E 21 4 3 1.089 110.419 -177.38 0.0000
23 H12 H1 E 21 4 3 1.091 109.821 -59.25 0.0000
24 O1 Os M 21 4 3 1.444 112.820 62.20 -0.4840
LOOP
O6 C2
DONE
1jD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920
5 O5 Os S 4 3 2 1.567 99.436 71.06 -0.4100
6 C5 Cg 3 5 4 3 1.585 113.292 149.88 0.1900
7 H5 H1 E 6 5 4 1.091 109.254 118.42 0.0000
8 C6 Cg 3 6 5 4 1.542 109.417 -121.68 0.3400
9 H61 H1 E 8 6 5 1.090 110.186 170.13 0.0000
10 H62 H1 E 8 6 5 1.090 110.250 50.63 0.0000
11 O6 Oh S 8 6 5 1.441 110.517 -70.42 -0.7250
12 H6O Ho E 11 8 6 0.959 110.296 -58.30 0.4250
13 C4 Cg 3 6 5 4 1.625 104.597 1.92 0.2330
14 H4 H1 E 13 6 5 1.090 107.076 101.60 0.0000
15 O4 Oh S 13 6 5 1.458 113.707 -139.62 -0.6710
16 H4O Ho E 15 13 6 0.965 110.086 -134.30 0.4140
17 C3 Cg B 13 6 5 1.642 107.375 -13.44 0.3930
18 H3 H1 E 17 13 6 1.091 111.073 142.12 0.0000
19 O3 Oh S 17 13 6 1.455 107.927 -98.38 -0.7480
20 H3O Ho E 19 17 13 0.969 106.278 -23.03 0.4460
21 C1 Cg M 4 3 2 1.554 16.572 -148.09 0.3890
22 H11 H1 E 21 4 3 1.091 110.219 17.52 0.0000
23 H12 H1 E 21 4 3 1.091 109.769 136.51 0.0000
24 O1 Os M 21 4 3 1.438 111.155 -103.20 -0.4680
LOOP
C3 C2
DONE
1jU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510
5 C3 Cg 3 4 3 2 1.643 134.152 -137.11 0.2230
6 H3 H1 E 5 4 3 1.090 111.499 28.62 0.0000
7 C4 Cg 3 5 4 3 1.639 106.529 149.37 0.2840
8 H4 H1 E 7 5 4 1.091 107.844 -100.60 0.0000
9 C5 Cg 3 7 5 4 1.619 107.844 15.28 0.1000
10 H5 H1 E 9 7 5 1.089 109.205 -129.69 0.0000
11 C6 Cg 3 9 7 5 1.537 115.282 106.51 0.3490
12 H61 H1 E 11 9 7 1.090 111.054 58.46 0.0000
13 H62 H1 E 11 9 7 1.089 110.316 -62.25 0.0000
14 O6 Oh S 11 9 7 1.435 108.026 178.22 -0.6840
15 H6O Ho E 14 11 9 0.962 107.568 44.32 0.4110
16 O5 Os E 9 7 5 1.585 104.895 -12.75 -0.3890
17 O4 Oh S 7 5 4 1.442 112.118 140.35 -0.6570
18 H4O Ho E 17 7 5 0.969 105.977 -9.00 0.4100
19 O3 Oh S 5 4 3 1.460 110.322 -92.24 -0.6710
20 H3O Ho E 19 5 4 0.971 106.808 11.93 0.4160
21 C1 Cg M 4 3 2 1.554 41.375 -67.07 0.3330
22 H11 H1 E 21 4 3 1.090 109.574 170.02 0.0000
23 H12 H1 E 21 4 3 1.090 110.121 -71.39 0.0000
24 O1 Os M 21 4 3 1.448 111.622 49.66 -0.4760
LOOP
O5 C2
DONE
1kA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 37.959 123.372 -138.94 -0.3880
5 C1 Cg B 4 3 2 1.439 89.600 174.62 0.4730
6 H1 H2 E 5 4 3 1.090 108.219 -9.20 0.0000
7 O5 Os S 5 4 3 1.481 111.363 -128.30 -0.5400
8 C5 Cg 3 7 5 4 1.489 117.370 -67.99 0.3010
9 H5 H1 E 8 7 5 1.092 108.051 60.66 0.0000
10 C6 Cg 3 8 7 5 1.535 108.811 177.23 0.2870
11 H61 H1 E 10 8 7 1.091 110.887 56.16 0.0000
12 H62 H1 E 10 8 7 1.090 110.246 176.37 0.0000
13 O6 Oh S 10 8 7 1.434 108.908 -64.18 -0.6910
14 H6O Ho E 13 10 8 0.960 109.471 -59.53 0.4220
15 C4 Cg 3 8 7 5 1.549 109.902 -56.18 0.1960
16 H4 H1 E 15 8 7 1.091 109.347 173.46 0.0000
17 O4 Oh S 15 8 7 1.440 109.315 -68.60 -0.7120
18 H4O Ho E 17 15 8 0.960 109.466 -58.47 0.4200
19 C3 Cg 3 15 8 7 1.541 113.058 50.90 0.3540
20 H3 H1 E 19 15 8 1.091 110.148 -170.51 0.0000
21 O3 Oh S 19 15 8 1.440 107.217 72.05 -0.7440
22 H3O Ho E 21 19 15 0.960 109.437 179.14 0.4360
23 C2 Cg B 19 15 8 1.544 111.196 -48.50 0.2810
24 H2 H1 E 23 19 15 1.091 106.696 -68.80 0.0000
25 O2 Oh S 23 19 15 1.439 110.836 175.80 -0.7160
26 H2O Ho E 25 23 19 0.960 109.409 -65.65 0.4270
LOOP
C2 C1
DONE
1kB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.254 115.986 -131.69 -0.3880
5 C1 Cg B 4 3 2 1.416 130.159 -52.84 0.4490
6 H1 H2 E 5 4 3 1.091 109.369 -12.74 0.0000
7 C2 Cg 3 5 4 3 1.557 110.090 -135.28 0.3080
8 H2 H1 E 7 5 4 1.091 108.873 -51.31 0.0000
9 C3 Cg 3 7 5 4 1.547 110.415 -170.33 0.2530
10 H3 H1 E 9 7 5 1.091 109.195 174.71 0.0000
11 C4 Cg 3 9 7 5 1.545 111.988 53.40 0.2170
12 H4 H1 E 11 9 7 1.091 109.393 -172.98 0.0000
13 C5 Cg 3 11 9 7 1.553 111.117 -52.75 0.3030
14 H5 H1 E 13 11 9 1.092 107.789 -66.12 0.0000
15 C6 Cg 3 13 11 9 1.542 113.025 175.07 0.2590
16 H61 H1 E 15 13 11 1.090 110.096 53.77 0.0000
17 H62 H1 E 15 13 11 1.090 110.533 -65.83 0.0000
18 O6 Oh S 15 13 11 1.441 110.162 173.71 -0.6700
19 H6O Ho E 18 15 13 0.962 108.273 57.74 0.4160
20 O5 Os E 13 11 9 1.499 110.891 51.77 -0.5140
21 O4 Oh S 11 9 7 1.455 108.780 69.68 -0.7000
22 H4O Ho E 21 11 9 0.964 110.377 74.31 0.4250
23 O3 Oh S 9 7 5 1.452 110.271 -66.88 -0.7100
24 H3O Ho E 23 9 7 0.968 107.267 -52.72 0.4420
25 O2 Oh S 7 5 4 1.462 111.766 67.72 -0.7100
26 H2O Ho E 25 7 5 0.965 108.091 -56.20 0.4260
LOOP
O5 C1
DONE
1lA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 37.874 123.487 -138.89 -0.3880
5 C1 Cg B 4 3 2 1.440 90.936 174.64 0.4650
6 H1 H2 E 5 4 3 1.090 108.300 -10.67 0.0000
7 O5 Os S 5 4 3 1.482 110.712 -129.56 -0.5270
8 C5 Cg 3 7 5 4 1.490 117.039 -67.67 0.2160
9 H5 H1 E 8 7 5 1.092 108.316 59.45 0.0000
10 C6 Cg 3 8 7 5 1.535 108.875 176.32 0.3080
11 H61 H1 E 10 8 7 1.091 110.918 55.87 0.0000
12 H62 H1 E 10 8 7 1.090 110.251 176.10 0.0000
13 O6 Oh S 10 8 7 1.434 108.858 -64.45 -0.6840
14 H6O Ho E 13 10 8 0.960 109.466 -59.52 0.4180
15 C4 Cg 3 8 7 5 1.544 109.289 -57.41 0.2040
16 H4 H1 E 15 8 7 1.091 109.671 175.54 0.0000
17 O4 Oh S 15 8 7 1.445 108.372 -65.83 -0.6730
18 H4O Ho E 17 15 8 0.960 109.470 -59.12 0.4360
19 C3 Cg 3 15 8 7 1.544 110.422 54.45 0.2530
20 H3 H1 E 19 15 8 1.091 108.559 66.00 0.0000
21 O3 Oh S 19 15 8 1.440 109.147 -176.39 -0.7010
22 H3O Ho E 21 19 15 0.960 109.438 -179.39 0.4330
23 C2 Cg B 19 15 8 1.541 111.714 -54.48 0.3390
24 H2 H1 E 23 19 15 1.091 108.995 -66.63 0.0000
25 O2 Oh S 23 19 15 1.440 110.049 175.31 -0.7240
26 H2O Ho E 25 23 19 0.960 109.415 -62.60 0.4310
LOOP
C2 C1
DONE
1lB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.386 116.234 -131.80 -0.3880
5 C1 Cg B 4 3 2 1.424 129.364 -49.49 0.3740
6 H1 H2 E 5 4 3 1.091 108.838 -18.17 0.0000
7 C2 Cg 3 5 4 3 1.558 110.125 -139.37 0.3570
8 H2 H1 E 7 5 4 1.092 109.611 -49.59 0.0000
9 C3 Cg 3 7 5 4 1.547 110.130 -170.39 0.2590
10 H3 H1 E 9 7 5 1.092 108.676 -66.21 0.0000
11 C4 Cg 3 9 7 5 1.546 112.254 53.31 0.2030
12 H4 H1 E 11 9 7 1.091 109.260 -175.38 0.0000
13 C5 Cg 3 11 9 7 1.545 110.517 -55.04 0.1400
14 H5 H1 E 13 11 9 1.092 107.648 -63.90 0.0000
15 C6 Cg 3 13 11 9 1.539 113.155 176.88 0.3190
16 H61 H1 E 15 13 11 1.090 110.337 53.86 0.0000
17 H62 H1 E 15 13 11 1.091 110.848 -66.38 0.0000
18 O6 Oh S 15 13 11 1.437 109.027 173.44 -0.6930
19 H6O Ho E 18 15 13 0.961 107.830 58.33 0.4190
20 O5 Os E 13 11 9 1.495 110.103 53.62 -0.4020
21 O4 Oh S 11 9 7 1.449 109.638 65.91 -0.6640
22 H4O Ho E 21 11 9 0.967 107.158 51.40 0.4370
23 O3 Oh S 9 7 5 1.455 110.815 175.60 -0.6940
24 H3O Ho E 23 9 7 0.967 107.449 52.82 0.4330
25 O2 Oh S 7 5 4 1.459 109.860 69.90 -0.7260
26 H2O Ho E 25 7 5 0.965 107.724 -55.10 0.4320
LOOP
O5 C1
DONE
1mA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.148 115.693 -131.37 -0.3880
5 C1 Cg B 4 3 2 1.421 104.982 126.81 0.4330
6 H1 H2 E 5 4 3 1.090 108.505 11.14 0.0000
7 O5 Os S 5 4 3 1.470 107.161 -106.14 -0.5070
8 C5 Cg 3 7 5 4 1.497 118.408 -72.54 0.2760
9 H5 H1 E 8 7 5 1.092 108.020 67.79 0.0000
10 C6 Cg 3 8 7 5 1.544 109.404 -174.23 0.2660
11 H61 H1 E 10 8 7 1.091 110.051 50.51 0.0000
12 H62 H1 E 10 8 7 1.090 110.579 169.68 0.0000
13 O6 Oh S 10 8 7 1.444 110.952 -70.49 -0.6880
14 H6O Ho E 13 10 8 0.960 109.923 -72.72 0.4220
15 C4 Cg 3 8 7 5 1.546 110.394 -50.35 0.3260
16 H4 H1 E 15 8 7 1.091 109.924 -69.18 0.0000
17 O4 Oh S 15 8 7 1.452 108.824 171.70 -0.7330
18 H4O Ho E 17 15 8 0.966 107.267 -173.46 0.4380
19 C3 Cg 3 15 8 7 1.549 110.605 52.31 0.2520
20 H3 H1 E 19 15 8 1.092 108.663 62.49 0.0000
21 O3 Oh S 19 15 8 1.461 110.813 -179.59 -0.6960
22 H3O Ho E 21 19 15 0.964 109.699 -161.58 0.4310
23 C2 Cg B 19 15 8 1.545 111.609 -57.15 0.2450
24 H2 H1 E 23 19 15 1.091 109.207 175.17 0.0000
25 O2 Oh S 23 19 15 1.459 109.731 -66.73 -0.7170
26 H2O Ho E 25 23 19 0.965 108.621 -45.43 0.4460
LOOP
C2 C1
DONE
1mB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.260 116.057 -131.92 -0.3880
5 C1 Cg B 4 3 2 1.424 134.716 -50.08 0.3140
6 H1 H2 E 5 4 3 1.091 108.222 -21.70 0.0000
7 C2 Cg 3 5 4 3 1.554 110.494 -142.36 0.2410
8 H2 H1 E 7 5 4 1.091 109.830 61.19 0.0000
9 C3 Cg 3 7 5 4 1.547 107.300 -179.17 0.2630
10 H3 H1 E 9 7 5 1.092 107.890 -58.13 0.0000
11 C4 Cg 3 9 7 5 1.553 110.623 60.52 0.3490
12 H4 H1 E 11 9 7 1.091 109.997 63.90 0.0000
13 C5 Cg 3 11 9 7 1.550 110.419 -57.43 0.2060
14 H5 H1 E 13 11 9 1.092 108.705 -67.76 0.0000
15 C6 Cg 3 13 11 9 1.539 111.873 172.30 0.2730
16 H61 H1 E 15 13 11 1.090 110.558 59.60 0.0000
17 H62 H1 E 15 13 11 1.091 110.262 -60.18 0.0000
18 O6 Oh S 15 13 11 1.439 109.850 179.68 -0.6800
19 H6O Ho E 18 15 13 0.962 108.414 55.86 0.4190
20 O5 Os E 13 11 9 1.498 110.843 50.51 -0.3930
21 O4 Oh S 11 9 7 1.452 109.624 -176.73 -0.7460
22 H4O Ho E 21 11 9 0.963 108.380 -79.71 0.4430
23 O3 Oh S 9 7 5 1.457 110.746 -174.70 -0.6920
24 H3O Ho E 23 9 7 0.962 109.624 154.41 0.4300
25 O2 Oh S 7 5 4 1.459 109.767 -58.73 -0.6640
26 H2O Ho E 25 7 5 0.964 107.524 55.50 0.4310
LOOP
O5 C1
DONE
1nA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 37.953 123.305 -139.13 -0.3880
5 C1 Cg B 4 3 2 1.438 87.673 169.94 0.4780
6 H1 H2 E 5 4 3 1.090 108.227 -10.84 0.0000
7 O5 Os S 5 4 3 1.480 111.233 -129.85 -0.6110
8 C5 Cg 3 7 5 4 1.489 118.545 -70.32 0.4040
9 H5 H1 E 8 7 5 1.092 108.618 64.36 0.0000
10 C6 Cg 3 8 7 5 1.535 107.673 -177.70 0.2800
11 H61 H1 E 10 8 7 1.091 110.668 56.63 0.0000
12 H62 H1 E 10 8 7 1.090 110.540 176.79 0.0000
13 O6 Oh S 10 8 7 1.434 109.011 -63.74 -0.6630
14 H6O Ho E 13 10 8 0.960 109.493 -59.88 0.3960
15 C4 Cg 3 8 7 5 1.545 108.589 -54.12 0.1670
16 H4 H1 E 15 8 7 1.091 108.424 -67.01 0.0000
17 O4 Oh S 15 8 7 1.439 109.651 175.64 -0.7330
18 H4O Ho E 17 15 8 0.960 109.442 -61.75 0.4440
19 C3 Cg 3 15 8 7 1.543 113.659 53.11 0.3300
20 H3 H1 E 19 15 8 1.091 110.022 -173.93 0.0000
21 O3 Oh S 19 15 8 1.445 109.798 66.31 -0.7140
22 H3O Ho E 21 19 15 0.960 109.446 64.20 0.4410
23 C2 Cg B 19 15 8 1.541 108.602 -53.52 0.2280
24 H2 H1 E 23 19 15 1.091 106.837 -65.32 0.0000
25 O2 Oh S 23 19 15 1.439 110.703 179.06 -0.6680
26 H2O Ho E 25 23 19 0.960 109.386 -64.03 0.4150
LOOP
C2 C1
DONE
1nB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.328 116.003 -131.70 -0.3880
5 C1 Cg B 4 3 2 1.417 130.141 -52.15 0.4220
6 H1 H2 E 5 4 3 1.092 109.299 -15.03 0.0000
7 C2 Cg 3 5 4 3 1.558 109.978 -137.36 0.3010
8 H2 H1 E 7 5 4 1.093 108.885 -50.70 0.0000
9 C3 Cg 3 7 5 4 1.544 110.844 -169.64 0.2340
10 H3 H1 E 9 7 5 1.092 109.398 175.17 0.0000
11 C4 Cg 3 9 7 5 1.546 109.920 54.68 0.2860
12 H4 H1 E 11 9 7 1.091 108.699 62.12 0.0000
13 C5 Cg 3 11 9 7 1.547 111.303 -57.50 0.1980
14 H5 H1 E 13 11 9 1.091 109.233 -61.92 0.0000
15 C6 Cg 3 13 11 9 1.541 112.741 177.70 0.3130
16 H61 H1 E 15 13 11 1.090 110.689 61.33 0.0000
17 H62 H1 E 15 13 11 1.090 110.338 -58.85 0.0000
18 O6 Oh S 15 13 11 1.438 109.178 -178.76 -0.6890
19 H6O Ho E 18 15 13 0.962 107.694 47.58 0.4180
20 O5 Os E 13 11 9 1.500 108.536 56.16 -0.5070
21 O4 Oh S 11 9 7 1.447 109.608 179.74 -0.7070
22 H4O Ho E 21 11 9 0.966 108.053 38.89 0.4300
23 O3 Oh S 9 7 5 1.458 109.599 -65.98 -0.6150
24 H3O Ho E 23 9 7 0.967 107.516 -48.26 0.3890
25 O2 Oh S 7 5 4 1.458 111.714 68.34 -0.7030
26 H2O Ho E 25 7 5 0.966 108.382 -58.42 0.4240
LOOP
O5 C1
DONE
1oA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.164 115.729 -131.66 -0.3880
5 C1 Cg B 4 3 2 1.432 100.795 128.11 0.3050
6 H1 H2 E 5 4 3 1.090 108.553 13.70 0.0000
7 O5 Os S 5 4 3 1.471 106.242 -102.88 -0.4240
8 C5 Cg 3 7 5 4 1.515 118.146 -74.79 0.0540
9 H5 H1 E 8 7 5 1.092 107.817 65.63 0.0000
10 C6 C B 8 7 5 1.566 116.761 -173.10 0.8960
11 O6B O2 E 10 8 7 1.255 117.285 49.97 -0.8220
12 O6A O2 E 10 8 7 1.252 116.529 -135.07 -0.8220
13 C4 Cg 3 8 7 5 1.540 109.060 -52.35 0.2670
14 H4 H1 E 13 8 7 1.091 109.560 176.88 0.0000
15 O4 Oh S 13 8 7 1.455 107.562 -64.91 -0.7040
16 H4O Ho E 15 13 8 0.981 106.629 -34.53 0.4290
17 C3 Cg 3 13 8 7 1.551 109.735 56.67 0.2510
18 H3 H1 E 17 13 8 1.092 108.010 56.95 0.0000
19 O3 Oh S 17 13 8 1.460 111.816 174.01 -0.7250
20 H3O Ho E 19 17 13 0.964 107.278 157.34 0.4160
21 C2 Cg B 17 13 8 1.548 110.284 -61.11 0.4130
22 H2 H1 E 21 17 13 1.091 109.347 -64.48 0.0000
23 O2 Oh S 21 17 13 1.464 110.220 176.88 -0.7710
24 H2O Ho E 23 21 17 0.966 105.614 -87.16 0.4310
LOOP
C2 C1
DONE
1oB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.273 116.184 -131.78 -0.3880
5 C1 Cg B 4 3 2 1.422 130.787 -52.46 0.3010
6 H1 H2 E 5 4 3 1.091 108.944 -16.17 0.0000
7 C2 Cg 3 5 4 3 1.559 111.070 -137.95 0.3830
8 H2 H1 E 7 5 4 1.091 109.614 -45.93 0.0000
9 C3 Cg 3 7 5 4 1.553 110.962 -166.99 0.2590
10 H3 H1 E 9 7 5 1.092 108.228 -67.30 0.0000
11 C4 Cg 3 9 7 5 1.548 111.733 51.56 0.2600
12 H4 H1 E 11 9 7 1.091 108.447 -176.52 0.0000
13 C5 Cg 3 11 9 7 1.538 110.856 -55.81 0.0490
14 H5 H1 E 13 11 9 1.092 107.135 -59.52 0.0000
15 C6 C B 13 11 9 1.574 110.283 -172.73 0.8380
16 O6A O2 E 15 13 11 1.254 118.706 -136.36 -0.7940
17 O6B O2 E 15 13 11 1.256 116.247 49.13 -0.7940
18 O5 Os E 13 11 9 1.506 109.239 55.41 -0.4140
19 O4 Oh S 11 9 7 1.450 109.430 65.27 -0.6610
20 H4O Ho E 19 11 9 0.961 107.547 51.96 0.4020
21 O3 Oh S 9 7 5 1.466 112.472 174.09 -0.7080
22 H3O Ho E 21 9 7 0.961 109.065 156.60 0.4040
23 O2 Oh S 7 5 4 1.460 107.566 72.28 -0.7320
24 H2O Ho E 23 7 5 0.962 106.473 -54.35 0.4010
LOOP
O5 C1
DONE
1pA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 38.107 125.493 -138.65 0.4170
5 O6 Os S 4 3 2 1.488 134.068 95.67 -0.5980
6 C6 Cg 3 5 4 3 1.482 118.332 -161.65 0.3930
7 H6A H1 E 6 5 4 1.091 109.250 66.45 0.0000
8 H6E H1 E 6 5 4 1.090 109.091 -175.40 0.0000
9 C5 Cg 3 6 5 4 1.536 109.077 -54.75 0.1530
10 H5 H1 E 9 6 5 1.091 108.321 -65.28 0.0000
11 O5 Oh S 9 6 5 1.437 108.893 177.77 -0.6930
12 H5O Ho E 11 9 6 0.960 109.495 178.45 0.4280
13 C4 Cg 3 9 6 5 1.541 113.177 55.00 0.3940
14 H4 H1 E 13 9 6 1.091 110.012 -174.96 0.0000
15 O4 Oh S 13 9 6 1.445 109.714 65.32 -0.7020
16 H4O Ho E 15 13 9 0.960 109.435 -179.19 0.4320
17 C3 Cg B 13 9 6 1.543 108.511 -54.52 0.1500
18 H3 H1 E 17 13 9 1.091 106.088 -66.29 0.0000
19 O3 Oh S 17 13 9 1.441 110.125 178.95 -0.6650
20 H3O Ho E 19 17 13 0.960 109.411 -65.90 0.4090
21 C1 Cg M 4 3 2 1.541 32.225 137.95 0.3270
22 H11 H1 E 21 4 3 1.091 110.426 -89.86 0.0000
23 H12 H1 E 21 4 3 1.091 110.581 29.73 0.0000
24 O1 Os M 21 4 3 1.436 110.176 150.08 -0.4450
LOOP
C3 C2
DONE
1pB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.269 115.092 -133.40 0.4070
5 C3 Cg 3 4 3 2 1.562 136.654 -159.34 0.1800
6 H3 H1 E 5 4 3 1.092 107.885 -98.54 0.0000
7 C4 Cg 3 5 4 3 1.548 113.222 144.34 0.3280
8 H4 H1 E 7 5 4 1.091 109.035 170.62 0.0000
9 C5 Cg 3 7 5 4 1.546 111.648 50.00 0.1880
10 H5 H1 E 9 7 5 1.091 108.531 65.60 0.0000
11 C6 Cg 3 9 7 5 1.540 111.137 -53.12 0.3640
12 H6A H1 E 11 9 7 1.091 110.957 -65.43 0.0000
13 H6E H1 E 11 9 7 1.090 110.095 174.89 0.0000
14 O6 Os E 11 9 7 1.483 108.996 55.37 -0.5400
15 O5 Oh S 9 7 5 1.454 110.567 -176.42 -0.7050
16 H5O Ho E 15 9 7 0.967 108.400 37.89 0.4330
17 O4 Oh S 7 5 4 1.453 109.303 -71.38 -0.6980
18 H4O Ho E 17 7 5 0.967 106.113 -55.83 0.4270
19 O3 Oh S 5 4 3 1.462 112.137 18.93 -0.6810
20 H3O Ho E 19 5 4 0.967 108.335 -65.45 0.4220
21 C1 Cg M 4 3 2 1.572 55.875 -67.58 0.3790
22 H11 H1 E 21 4 3 1.088 110.382 170.92 0.0000
23 H12 H1 E 21 4 3 1.091 110.003 -70.52 0.0000
24 O1 Os M 21 4 3 1.452 112.720 50.63 -0.5040
LOOP
O6 C2
DONE
1pD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240
5 O5 Os S 4 3 2 1.578 107.245 118.43 -0.4530
6 C5 Cg 3 5 4 3 1.580 112.574 125.89 0.1940
7 H5 H1 E 6 5 4 1.092 109.225 119.03 0.0000
8 C6 Cg 3 6 5 4 1.529 108.517 -121.64 0.2910
9 H61 H1 E 8 6 5 1.090 110.281 176.00 0.0000
10 H62 H1 E 8 6 5 1.091 110.695 55.73 0.0000
11 O6 Oh S 8 6 5 1.433 108.604 -64.48 -0.6950
12 H6O Ho E 11 8 6 0.960 109.454 -59.02 0.4110
13 C4 Cg 3 6 5 4 1.626 105.532 -0.49 0.2820
14 H4 H1 E 13 6 5 1.091 112.773 -134.13 0.0000
15 O4 Oh S 13 6 5 1.437 105.885 105.93 -0.6830
16 H4O Ho E 15 13 6 0.960 109.464 -177.78 0.4210
17 C3 Cg B 13 6 5 1.629 106.867 -10.85 0.3340
18 H3 H1 E 17 13 6 1.090 106.567 -97.07 0.0000
19 O3 Oh S 17 13 6 1.441 113.670 145.25 -0.6610
20 H3O Ho E 19 17 13 0.960 109.502 57.68 0.4150
21 C1 Cg M 4 3 2 1.533 11.296 11.27 0.2860
22 H11 H1 E 21 4 3 1.091 110.553 139.19 0.0000
23 H12 H1 E 21 4 3 1.091 110.436 -100.78 0.0000
24 O1 Os M 21 4 3 1.434 109.386 19.30 -0.4660
LOOP
C3 C2
DONE
1pU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880
5 C3 Cg 3 4 3 2 1.631 108.524 -109.61 0.3340
6 H3 H1 E 5 4 3 1.091 109.543 -74.21 0.0000
7 C4 Cg 3 5 4 3 1.631 107.756 169.64 0.1920
8 H4 H1 E 7 5 4 1.091 111.099 133.10 0.0000
9 C5 Cg 3 7 5 4 1.623 107.338 10.25 0.3690
10 H5 H1 E 9 7 5 1.092 111.285 -129.81 0.0000
11 C6 Cg 3 9 7 5 1.529 112.798 106.76 0.2150
12 H61 H1 E 11 9 7 1.090 110.301 60.35 0.0000
13 H62 H1 E 11 9 7 1.091 110.659 -59.91 0.0000
14 O6 Oh S 11 9 7 1.433 108.649 179.93 -0.6780
15 H6O Ho E 14 11 9 0.960 109.500 -58.51 0.4210
16 O5 Os E 9 7 5 1.576 105.494 -11.41 -0.4800
17 O4 Oh S 7 5 4 1.438 110.850 -105.23 -0.7110
18 H4O Ho E 17 7 5 0.960 109.445 -179.82 0.4380
19 O3 Oh S 5 4 3 1.441 112.255 44.83 -0.7140
20 H3O Ho E 19 5 4 0.960 109.493 177.90 0.4240
21 C1 Cg M 4 3 2 1.541 49.994 0.67 0.3650
22 H11 H1 E 21 4 3 1.090 109.918 -145.53 0.0000
23 H12 H1 E 21 4 3 1.091 110.660 -26.12 0.0000
24 O1 Os M 21 4 3 1.437 110.203 94.77 -0.4630
LOOP
O5 C2
DONE
1qA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.217 115.483 -131.49 -0.3880
5 C1 Cg B 4 3 2 1.425 142.770 -70.39 0.4650
6 H1 H1 E 5 4 3 1.090 108.529 118.99 0.0000
7 O5 Os S 5 4 3 1.467 106.521 2.25 -0.5590
8 C5 Cg 3 7 5 4 1.487 117.291 -68.26 0.2340
9 H5 H1 E 8 7 5 1.092 108.269 65.21 0.0000
10 C6 Cg 3 8 7 5 1.531 106.976 -178.31 0.0600
11 H61 Hc E 10 8 7 1.091 111.279 -57.12 0.0000
12 H62 Hc E 10 8 7 1.091 111.508 -176.59 0.0000
13 H63 Hc E 10 8 7 1.091 111.703 63.05 0.0000
14 C4 Cg 3 8 7 5 1.546 110.112 -53.83 0.2080
15 H4 H1 E 14 8 7 1.092 109.076 -69.57 0.0000
16 O4 Oh S 14 8 7 1.456 108.902 171.97 -0.6640
17 H4O Ho E 16 14 8 0.963 110.329 76.40 0.4030
18 C3 Cg 3 14 8 7 1.550 111.848 51.22 0.3120
19 H3 H1 E 18 14 8 1.092 109.484 68.56 0.0000
20 O3 Oh S 18 14 8 1.451 107.191 -173.73 -0.6970
21 H3O Ho E 20 18 14 0.963 107.525 -56.57 0.4240
22 C2 Cg B 18 14 8 1.550 112.115 -52.85 0.2810
23 H2 H1 E 22 18 14 1.091 108.369 -65.92 0.0000
24 O2 Oh S 22 18 14 1.464 112.236 175.32 -0.6950
25 H2O Ho E 24 22 18 0.963 109.360 -65.35 0.4220
LOOP
C2 C1
DONE
1qB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.342 115.963 -131.61 -0.3880
5 C1 Cg B 4 3 2 1.414 134.140 -50.67 0.3910
6 H1 H1 E 5 4 3 1.091 109.567 -13.80 0.0000
7 C2 Cg 3 5 4 3 1.554 110.459 -136.68 0.3230
8 H2 H1 E 7 5 4 1.092 109.276 -50.00 0.0000
9 C3 Cg 3 7 5 4 1.546 109.870 -170.12 0.3000
10 H3 H1 E 9 7 5 1.092 108.841 -69.08 0.0000
11 C4 Cg 3 9 7 5 1.549 112.577 51.86 0.2500
12 H4 H1 E 11 9 7 1.092 109.316 68.82 0.0000
13 C5 Cg 3 11 9 7 1.548 111.410 -52.00 0.2710
14 H5 H1 E 13 11 9 1.092 109.263 -66.11 0.0000
15 C6 Cg 3 13 11 9 1.530 114.065 172.27 0.0480
16 H61 Hc E 15 13 11 1.091 111.262 -178.50 0.0000
17 H62 Hc E 15 13 11 1.091 111.509 62.03 0.0000
18 H63 Hc E 15 13 11 1.091 111.710 -58.34 0.0000
19 O5 Os E 13 11 9 1.486 109.336 52.29 -0.5350
20 O4 Oh S 11 9 7 1.451 109.144 -172.28 -0.7130
21 H4O Ho E 20 11 9 0.966 107.748 -53.29 0.4210
22 O3 Oh S 9 7 5 1.454 109.133 172.74 -0.6890
23 H3O Ho E 22 9 7 0.966 107.391 52.07 0.4200
24 O2 Oh S 7 5 4 1.460 110.327 69.51 -0.7130
25 H2O Ho E 24 7 5 0.966 107.987 -53.85 0.4200
LOOP
O5 C1
DONE
1rA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 37.824 123.359 -139.20 -0.3880
5 C1 Cg B 4 3 2 1.438 100.330 167.70 0.4880
6 H1 H2 E 5 4 3 1.090 108.216 -15.90 0.0000
7 O5 Os S 5 4 3 1.483 111.189 -134.85 -0.5610
8 C5 Cg 3 7 5 4 1.483 117.768 -70.77 0.3770
9 H5A H1 E 8 7 5 1.091 109.204 66.57 0.0000
10 H5E H1 E 8 7 5 1.090 109.080 -175.36 0.0000
11 C4 Cg 3 8 7 5 1.537 109.246 -54.64 0.1220
12 H4 H1 E 11 8 7 1.091 108.264 -65.95 0.0000
13 O4 Oh S 11 8 7 1.437 108.837 177.17 -0.6630
14 H4O Ho E 13 11 8 0.960 109.433 -61.56 0.4190
15 C3 Cg 3 11 8 7 1.542 113.340 54.31 0.3450
16 H3 H1 E 15 11 8 1.091 110.108 -174.25 0.0000
17 O3 Oh S 15 11 8 1.445 109.754 65.90 -0.7370
18 H3O Ho E 17 15 11 0.960 109.441 63.11 0.4430
19 C2 Cg B 15 11 8 1.542 108.334 -53.79 0.2530
20 H2 H1 E 19 15 11 1.091 106.798 -65.63 0.0000
21 O2 Oh S 19 15 11 1.439 110.674 178.86 -0.7110
22 H2O Ho E 21 19 15 0.960 109.367 -64.08 0.4190
LOOP
C2 C1
DONE
1rB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.363 116.187 -131.45 -0.3880
5 C1 Cg B 4 3 2 1.414 125.517 -54.84 0.4810
6 H1 H2 E 5 4 3 1.090 109.546 -14.89 0.0000
7 C2 Cg 3 5 4 3 1.563 110.782 -138.57 0.3850
8 H2 H1 E 7 5 4 1.092 108.121 -54.00 0.0000
9 C3 Cg 3 7 5 4 1.550 109.259 -171.36 0.2030
10 H3 H1 E 9 7 5 1.091 109.709 178.53 0.0000
11 C4 Cg 3 9 7 5 1.548 108.635 58.66 0.2360
12 H4 H1 E 11 9 7 1.091 108.914 60.36 0.0000
13 C5 Cg 3 11 9 7 1.549 110.878 -58.91 0.3350
14 H5A H1 E 13 11 9 1.091 110.751 -65.58 0.0000
15 H5E H1 E 13 11 9 1.090 110.011 175.14 0.0000
16 O5 Os E 13 11 9 1.488 109.926 55.20 -0.5760
17 O4 Oh S 11 9 7 1.453 110.299 178.35 -0.6950
18 H4O Ho E 17 11 9 0.963 110.348 -71.99 0.4110
19 O3 Oh S 9 7 5 1.460 111.251 -60.93 -0.6960
20 H3O Ho E 19 9 7 0.965 108.989 176.00 0.4280
21 O2 Oh S 7 5 4 1.459 113.253 64.27 -0.7320
22 H2O Ho E 21 7 5 0.963 108.588 -45.68 0.4140
LOOP
O5 C1
DONE
1rD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.070 115.367 -131.63 -0.3880
5 C1 Cg B 4 3 2 1.418 77.106 146.83 0.4450
6 H1 H2 E 5 4 3 1.090 111.449 19.23 0.0000
7 O4 Os S 5 4 3 1.561 104.070 -101.04 -0.5130
8 C4 Cg 3 7 5 4 1.590 113.384 -103.19 0.3270
9 H4 H1 E 8 7 5 1.091 109.128 114.99 0.0000
10 C5 Cg 3 8 7 5 1.540 110.745 -124.36 0.1950
11 H51 H1 E 10 8 7 1.090 109.790 172.36 0.0000
12 H52 H1 E 10 8 7 1.090 109.854 53.62 0.0000
13 O5 Oh S 10 8 7 1.441 111.480 -67.27 -0.6670
14 H5O Ho E 13 10 8 0.961 110.927 -63.80 0.4080
15 C3 Cg 3 8 7 5 1.627 104.801 -3.59 0.2750
16 H3 H1 E 15 8 7 1.090 111.845 -130.65 0.0000
17 O3 Oh S 15 8 7 1.452 108.122 109.49 -0.7390
18 H3O Ho E 17 15 8 0.969 108.678 -102.78 0.4380
19 C2 Cg B 15 8 7 1.641 107.074 -9.06 0.3180
20 H2 H1 E 19 15 8 1.090 106.590 -95.30 0.0000
21 O2 Oh S 19 15 8 1.461 113.571 147.17 -0.7090
22 H2O Ho E 21 19 15 0.962 110.320 57.03 0.4160
LOOP
C2 C1
DONE
1rU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.149 115.597 -132.41 -0.3880
5 C1 Cg B 4 3 2 1.420 151.818 -39.08 0.3780
6 H1 H1 E 5 4 3 1.091 110.180 -22.05 0.0000
7 C2 Cg 3 5 4 3 1.633 109.458 -147.05 0.2930
8 H2 H1 E 7 5 4 1.091 111.731 16.78 0.0000
9 C3 Cg 3 7 5 4 1.643 106.357 -103.75 0.2890
10 H3 H1 E 9 7 5 1.091 108.114 103.55 0.0000
11 C4 Cg 3 9 7 5 1.616 107.735 -14.49 0.1020
12 H4 H1 E 11 9 7 1.091 109.546 -104.49 0.0000
13 C5 Cg 3 11 9 7 1.534 112.497 133.15 0.3380
14 H51 H1 E 13 11 9 1.090 110.394 -65.27 0.0000
15 H52 H1 E 13 11 9 1.090 110.006 54.34 0.0000
16 O5 Oh S 13 11 9 1.436 109.887 174.05 -0.6920
17 H5O Ho E 16 13 11 0.959 109.586 -178.63 0.4150
18 O4 Os E 11 9 7 1.587 104.949 11.40 -0.4240
19 O3 Oh S 9 7 5 1.443 112.608 -136.62 -0.6830
20 H3O Ho E 19 9 7 0.968 106.484 22.47 0.4280
21 O2 Oh S 7 5 4 1.462 109.045 136.95 -0.6700
22 H2O Ho E 21 7 5 0.963 109.628 -69.88 0.4200
LOOP
O4 C1
DONE
1tA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 37.829 123.510 -138.93 -0.3880
5 C1 Cg B 4 3 2 1.435 92.526 172.41 0.4560
6 H1 H2 E 5 4 3 1.091 107.643 -10.93 0.0000
7 O5 Os S 5 4 3 1.485 111.866 -129.79 -0.4800
8 C5 Cg 3 7 5 4 1.488 117.752 -68.84 0.1570
9 H5 H1 E 8 7 5 1.092 108.168 59.67 0.0000
10 C6 Cg 3 8 7 5 1.535 108.822 176.46 0.3040
11 H61 H1 E 10 8 7 1.091 110.896 55.84 0.0000
12 H62 H1 E 10 8 7 1.090 110.263 176.07 0.0000
13 O6 Oh S 10 8 7 1.434 108.863 -64.48 -0.6690
14 H6O Ho E 13 10 8 0.960 109.462 -59.57 0.4010
15 C4 Cg 3 8 7 5 1.544 109.541 -57.17 0.4340
16 H4 H1 E 15 8 7 1.091 109.540 173.93 0.0000
17 O4 Oh S 15 8 7 1.443 109.067 -67.36 -0.7310
18 H4O Ho E 17 15 8 0.960 109.459 -59.56 0.4170
19 C3 Cg 3 15 8 7 1.543 109.739 53.52 0.1240
20 H3 H1 E 19 15 8 1.091 106.734 65.74 0.0000
21 O3 Oh S 19 15 8 1.439 110.707 -178.75 -0.6870
22 H3O Ho E 21 19 15 0.960 109.479 -176.63 0.4420
23 C2 Cg B 19 15 8 1.545 114.910 -52.34 0.2450
24 H2 H1 E 23 19 15 1.091 109.723 171.12 0.0000
25 O2 Oh S 23 19 15 1.440 110.347 -69.94 -0.6550
26 H2O Ho E 25 23 19 0.960 109.490 -179.95 0.4360
LOOP
C2 C1
DONE
1tB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 37.961 123.756 -139.67 -0.3880
5 C1 Cg B 4 3 2 1.435 138.258 -29.53 0.3060
6 H1 H2 E 5 4 3 1.091 107.525 19.19 0.0000
7 C2 Cg 3 5 4 3 1.544 109.741 -99.49 0.3400
8 H2 H1 E 7 5 4 1.091 110.012 61.64 0.0000
9 C3 Cg 3 7 5 4 1.545 108.990 -177.73 0.1740
10 H3 H1 E 9 7 5 1.091 106.777 -66.52 0.0000
11 C4 Cg 3 9 7 5 1.547 114.890 51.64 0.3140
12 H4 H1 E 11 9 7 1.091 109.570 -171.49 0.0000
13 C5 Cg 3 11 9 7 1.547 110.218 -50.96 0.0310
14 H5 H1 E 13 11 9 1.092 107.394 -65.47 0.0000
15 C6 Cg 3 13 11 9 1.535 115.137 174.64 0.3490
16 H61 H1 E 15 13 11 1.090 110.278 53.24 0.0000
17 H62 H1 E 15 13 11 1.091 110.886 -67.01 0.0000
18 O6 Oh S 15 13 11 1.434 108.837 172.73 -0.6660
19 H6O Ho E 18 15 13 0.960 109.430 59.34 0.4060
20 O5 Os E 13 11 9 1.487 109.426 51.66 -0.3540
21 O4 Oh S 11 9 7 1.443 110.169 69.26 -0.6260
22 H4O Ho E 21 11 9 0.960 109.455 179.72 0.4130
23 O3 Oh S 9 7 5 1.439 110.677 177.92 -0.6780
24 H3O Ho E 23 9 7 0.960 109.373 -64.24 0.4250
25 O2 Oh S 7 5 4 1.444 109.193 -57.83 -0.6370
26 H2O Ho E 25 7 5 0.960 109.413 58.90 0.3970
LOOP
O5 C1
DONE
1tV INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.211 115.219 -131.38 -0.3880
5 C1 Cg B 4 3 2 1.419 142.733 -75.41 0.4700
6 H1 H1 E 5 4 3 1.090 108.099 125.32 0.0000
7 O5 Os S 5 4 3 1.470 107.008 8.45 -0.5160
8 C5 Cg 3 7 5 4 1.490 117.436 -73.98 0.3010
9 H5 H1 E 8 7 5 1.092 108.176 67.65 0.0000
10 C6 Cg 3 8 7 5 1.530 106.823 -175.86 0.0070
11 H61 Hc E 10 8 7 1.091 111.306 -56.97 0.0000
12 H62 Hc E 10 8 7 1.091 111.681 63.21 0.0000
13 H63 Hc E 10 8 7 1.091 111.485 -176.46 0.0000
14 C4 Cg 3 8 7 5 1.553 110.400 -51.43 0.3020
15 H4 H1 E 14 8 7 1.091 109.486 -67.87 0.0000
16 O4 Oh S 14 8 7 1.446 110.075 172.75 -0.7390
17 H4O Ho E 16 14 8 0.961 109.446 177.45 0.4390
18 C3 Cg 3 14 8 7 1.535 112.112 53.80 -0.0140
19 H31 Hc E 18 14 8 1.093 110.620 -177.58 0.0000
20 H32 Hc E 18 14 8 1.093 110.093 66.30 0.0000
21 C2 Cg B 18 14 8 1.535 111.168 -54.29 0.1910
22 H2 H1 E 21 18 14 1.091 108.971 171.23 0.0000
23 O2 Oh S 21 18 14 1.451 107.118 -72.88 -0.6720
24 H2O Ho E 23 21 18 0.962 109.923 -70.16 0.4250
LOOP
C2 C1
DONE
1tv INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 40.827 125.335 -152.79 -0.3880
5 C1 Cg B 4 3 2 1.434 149.058 -36.29 0.4280
6 H1 H1 E 5 4 3 1.091 107.830 177.17 0.0000
7 C2 Cg 3 5 4 3 1.543 109.588 58.35 0.2080
8 H2 H1 E 7 5 4 1.091 110.018 60.33 0.0000
9 C3 Cg 3 7 5 4 1.538 110.852 -178.30 0.0070
10 H31 Hc E 9 7 5 1.092 110.440 174.77 0.0000
11 H32 Hc E 9 7 5 1.093 108.417 -70.21 0.0000
12 C4 Cg 3 9 7 5 1.542 111.976 51.41 0.2960
13 H4 H1 E 12 9 7 1.091 109.168 71.88 0.0000
14 C5 Cg 3 12 9 7 1.544 113.120 -50.24 0.2710
15 H5 H1 E 14 12 9 1.092 109.438 -67.05 0.0000
16 C6 Cg 3 14 12 9 1.530 114.414 170.77 0.0170
17 H61 Hc E 16 14 12 1.091 111.431 62.00 0.0000
18 H62 Hc E 16 14 12 1.091 111.279 -178.53 0.0000
19 H63 Hc E 16 14 12 1.091 111.734 -58.32 0.0000
20 O5 Os E 14 12 9 1.481 108.725 51.10 -0.4960
21 O4 Oh S 12 9 7 1.436 107.645 -170.11 -0.7290
22 H4O Ho E 21 12 9 0.960 109.450 -178.68 0.4250
23 O2 Oh S 7 5 4 1.442 110.000 -59.38 -0.6440
24 H2O Ho E 23 7 5 0.960 109.465 -179.91 0.4110
LOOP
O5 C1
DONE
1uA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.111 115.861 -131.96 -0.3880
5 C1 Cg B 4 3 2 1.415 148.896 -51.02 0.3630
6 H1 H2 E 5 4 3 1.090 108.890 102.66 0.0000
7 O5 Os S 5 4 3 1.464 104.203 -14.00 -0.5150
8 C5 Cg 3 7 5 4 1.503 115.778 -177.88 0.2320
9 H5 H1 E 8 7 5 1.091 106.633 176.67 0.0000
10 C6 C B 8 7 5 1.591 118.545 -64.62 0.6970
11 O6B O2 E 10 8 7 1.255 117.111 177.25 -0.7570
12 O6A O2 E 10 8 7 1.252 118.306 0.19 -0.7570
13 C4 Cg 3 8 7 5 1.541 106.777 61.95 0.2230
14 H4 H1 E 13 8 7 1.092 108.348 60.65 0.0000
15 O4 Oh S 13 8 7 1.461 110.851 178.69 -0.7110
16 H4O Ho E 15 13 8 0.984 107.477 28.92 0.3970
17 C3 Cg 3 13 8 7 1.551 110.331 -57.99 0.4170
18 H3 H1 E 17 13 8 1.092 108.572 -66.35 0.0000
19 O3 Oh S 17 13 8 1.454 107.203 176.93 -0.7710
20 H3O Ho E 19 17 13 0.966 105.279 42.17 0.4170
21 C2 Cg B 17 13 8 1.555 113.490 54.77 0.2590
22 H2 H1 E 21 17 13 1.092 108.782 71.56 0.0000
23 O2 Oh S 21 17 13 1.469 110.384 -169.42 -0.6850
24 H2O Ho E 23 21 17 0.960 110.184 53.77 0.3850
LOOP
C2 C1
DONE
1uB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.088 115.594 -132.20 -0.3880
5 C1 Cg B 4 3 2 1.432 141.924 -48.96 0.2780
6 H1 H2 E 5 4 3 1.090 108.419 -8.65 0.0000
7 C2 Cg 3 5 4 3 1.557 112.942 -129.56 0.2890
8 H2 H1 E 7 5 4 1.091 107.118 175.29 0.0000
9 C3 Cg 3 7 5 4 1.545 111.752 -66.92 0.2860
10 H3 H1 E 9 7 5 1.091 110.248 64.55 0.0000
11 C4 Cg 3 9 7 5 1.552 109.635 -56.61 0.3080
12 H4 H1 E 11 9 7 1.092 107.907 -61.83 0.0000
13 C5 Cg 3 11 9 7 1.546 112.015 56.37 0.1940
14 H5 H1 E 13 11 9 1.091 107.278 -167.70 0.0000
15 C6 C B 13 11 9 1.581 111.637 77.65 0.7500
16 O6A O2 E 15 13 11 1.252 117.516 -129.70 -0.7830
17 O6B O2 E 15 13 11 1.255 117.682 48.62 -0.7830
18 O5 Os E 13 11 9 1.512 108.685 -52.87 -0.4300
19 O4 Oh S 11 9 7 1.456 110.245 -178.60 -0.7450
20 H4O Ho E 19 11 9 0.987 106.847 -97.51 0.4220
21 O3 Oh S 9 7 5 1.460 109.228 -175.94 -0.7550
22 H3O Ho E 21 9 7 0.968 105.498 164.14 0.4210
23 O2 Oh S 7 5 4 1.455 112.599 58.28 -0.6800
24 H2O Ho E 23 7 5 0.964 105.470 -160.22 0.4220
LOOP
O5 C1
DONE
1vA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.100 115.413 -131.57 -0.3880
5 C1 Cg B 4 3 2 1.431 145.337 -70.35 0.3890
6 H1 H2 E 5 4 3 1.090 108.202 123.33 0.0000
7 O5 Os S 5 4 3 1.470 107.169 6.83 -0.4660
8 C5 Cg 3 7 5 4 1.497 117.776 -73.76 0.1120
9 H5 H1 E 8 7 5 1.091 107.067 65.15 0.0000
10 C6 Cg 3 8 7 5 1.543 110.655 -179.51 0.3620
11 H61 H1 E 10 8 7 1.090 109.608 -176.18 0.0000
12 H62 H1 E 10 8 7 1.090 110.167 -57.43 0.0000
13 O6 Oh S 10 8 7 1.435 111.052 63.47 -0.7110
14 H6O Ho E 13 10 8 0.972 106.687 28.27 0.4240
15 C4 Cg 3 8 7 5 1.548 110.914 -51.03 0.3260
16 H4 H1 E 15 8 7 1.091 109.088 172.26 0.0000
17 O4 Oh S 15 8 7 1.450 110.237 -68.94 -0.7010
18 H4O Ho E 17 15 8 0.968 106.613 169.99 0.4420
19 C3 Cg 3 15 8 7 1.547 111.081 51.89 0.1760
20 H3 H1 E 19 15 8 1.091 107.961 63.63 0.0000
21 O3 Oh S 19 15 8 1.462 109.029 179.93 -0.6780
22 H3O Ho E 21 19 15 0.964 110.475 -178.25 0.4250
23 C2 Cg B 19 15 8 1.551 111.657 -55.51 0.3990
24 H2 H1 E 23 19 15 1.092 107.862 -63.61 0.0000
25 N2 Ng B 23 19 15 1.483 110.775 178.49 -0.5950
26 H2N H E 25 23 19 1.007 117.335 -40.12 0.2380
27 C2N C B 25 23 19 1.336 122.570 153.82 0.6250
28 O2N O E 27 25 23 1.227 121.897 -4.65 -0.6050
29 CME Cg 3 27 25 23 1.541 116.317 175.68 0.0320
30 H1M Hc E 29 27 25 1.091 109.644 69.76 0.0000
31 H2M Hc E 29 27 25 1.091 110.181 -170.34 0.0000
32 H3M Hc E 29 27 25 1.091 110.069 -50.52 0.0000
LOOP
C2 C1
DONE
1vB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.220 115.968 -131.84 -0.3880
5 C1 Cg B 4 3 2 1.427 134.266 -52.73 0.3050
6 H1 H2 E 5 4 3 1.091 108.056 -14.98 0.0000
7 C2 Cg 3 5 4 3 1.568 112.535 -136.04 0.5440
8 H2 H1 E 7 5 4 1.091 107.972 -55.71 0.0000
9 C3 Cg 3 7 5 4 1.558 108.807 -173.54 0.1520
10 H3 H1 E 9 7 5 1.092 108.105 -63.18 0.0000
11 C4 Cg 3 9 7 5 1.544 111.369 55.44 0.2530
12 H4 H1 E 11 9 7 1.091 109.237 -177.04 0.0000
13 C5 Cg 3 11 9 7 1.544 111.265 -56.32 0.1360
14 H5 H1 E 13 11 9 1.092 107.572 -64.67 0.0000
15 C6 Cg 3 13 11 9 1.539 112.869 176.15 0.3530
16 H61 H1 E 15 13 11 1.091 110.331 53.32 0.0000
17 H62 H1 E 15 13 11 1.090 110.929 -67.00 0.0000
18 O6 Oh S 15 13 11 1.436 108.896 172.76 -0.7140
19 H6O Ho E 18 15 13 0.962 107.704 58.75 0.4270
20 O5 Os E 13 11 9 1.495 110.300 52.85 -0.4080
21 O4 Oh S 11 9 7 1.445 108.904 64.66 -0.6900
22 H4O Ho E 21 11 9 0.968 108.059 41.88 0.4400
23 O3 Oh S 9 7 5 1.462 113.219 178.26 -0.6650
24 H3O Ho E 23 9 7 0.963 111.335 152.35 0.4150
25 N2 Ng B 7 5 4 1.481 111.069 64.49 -0.6860
26 H2N H E 25 7 5 1.005 118.080 45.86 0.2540
27 C2N C B 25 7 5 1.336 122.747 -132.36 0.5860
28 CME Cg 3 27 25 7 1.543 116.272 -179.61 0.0560
29 H1M Hc E 28 27 25 1.091 109.419 84.79 0.0000
30 H2M Hc E 28 27 25 1.091 109.982 -155.53 0.0000
31 H3M Hc E 28 27 25 1.092 110.645 -35.56 0.0000
32 O2N O E 27 25 7 1.227 122.402 -0.23 -0.5640
LOOP
O5 C1
DONE
1wA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.212 115.658 -131.53 -0.3880
5 C1 Cg B 4 3 2 1.422 144.333 -63.74 0.4621
6 H1 H2 E 5 4 3 1.090 108.189 116.92 0.0000
7 O5 Os S 5 4 3 1.469 107.443 -0.25 -0.5415
8 C5 Cg 3 7 5 4 1.495 117.898 -69.16 0.2421
9 H5 H1 E 8 7 5 1.092 106.799 68.49 0.0000
10 C6 Cg 3 8 7 5 1.545 109.924 -175.74 0.2995
11 H61 H1 E 10 8 7 1.090 109.924 -166.49 0.0000
12 H62 H1 E 10 8 7 1.090 109.575 -48.28 0.0000
13 O6 Oh S 10 8 7 1.443 112.033 72.71 -0.6618
14 H6O Ho E 13 10 8 0.961 109.813 82.79 0.3959
15 C4 Cg 3 8 7 5 1.547 111.317 -49.02 0.3213
16 H4 H1 E 15 8 7 1.091 109.249 -73.83 0.0000
17 O4 Oh S 15 8 7 1.458 108.618 168.10 -0.7305
18 H4O Ho E 17 15 8 0.964 111.017 -68.07 0.4424
19 C3 Cg 3 15 8 7 1.550 112.664 46.63 0.2520
20 H3 H1 E 19 15 8 1.091 108.491 68.12 0.0000
21 O3 Oh S 19 15 8 1.455 109.482 -174.62 -0.6987
22 H3O Ho E 21 19 15 0.965 109.543 -47.09 0.4159
23 C2 Cg B 19 15 8 1.549 112.400 -51.61 0.2750
24 H2 H1 E 23 19 15 1.092 108.473 171.95 0.0000
25 N2 Ng B 23 19 15 1.482 111.789 -70.12 -0.4751
26 H2N H E 25 23 19 1.007 117.562 12.93 0.2142
27 C2N C B 25 23 19 1.336 123.787 -162.76 0.5909
28 O2N O E 27 25 23 1.229 122.265 -3.32 -0.5757
29 CME Cg 3 27 25 23 1.539 115.681 177.62 -0.0340
30 H1M Hc E 29 27 25 1.091 109.868 -60.00 0.0000
31 H2M Hc E 29 27 25 1.091 110.252 -179.93 0.0000
32 H3M Hc E 29 27 25 1.091 109.810 60.19 0.0000
LOOP
C2 C1
DONE
1wB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.303 115.950 -132.00 -0.3880
5 C1 Cg B 4 3 2 1.417 135.116 -49.84 0.3870
6 H1 H2 E 5 4 3 1.091 108.527 -19.28 0.0000
7 C2 Cg 3 5 4 3 1.557 111.740 -141.19 0.2940
8 H2 H1 E 7 5 4 1.092 107.791 66.82 0.0000
9 C3 Cg 3 7 5 4 1.550 108.254 -176.66 0.2170
10 H3 H1 E 9 7 5 1.092 107.807 -64.62 0.0000
11 C4 Cg 3 9 7 5 1.551 112.012 54.98 0.2770
12 H4 H1 E 11 9 7 1.092 109.220 68.41 0.0000
13 C5 Cg 3 11 9 7 1.549 111.754 -52.70 0.3210
14 H5 H1 E 13 11 9 1.092 108.891 -67.49 0.0000
15 C6 Cg 3 13 11 9 1.542 112.546 172.10 0.2470
16 H61 H1 E 15 13 11 1.090 110.437 60.16 0.0000
17 H62 H1 E 15 13 11 1.091 110.098 -59.35 0.0000
18 O6 Oh S 15 13 11 1.442 110.379 -179.51 -0.6630
19 H6O Ho E 18 15 13 0.962 108.929 56.35 0.4130
20 O5 Os E 13 11 9 1.498 109.860 50.66 -0.4980
21 O4 Oh S 11 9 7 1.447 108.869 -173.07 -0.7430
22 H4O Ho E 21 11 9 0.968 107.478 -48.60 0.4390
23 O3 Oh S 9 7 5 1.458 111.031 177.66 -0.6580
24 H3O Ho E 23 9 7 0.972 110.221 24.88 0.4130
25 N2 Ng B 7 5 4 1.485 112.591 -52.54 -0.5580
26 H2N H E 25 7 5 1.007 117.378 -30.20 0.2650
27 C2N C B 25 7 5 1.337 123.528 147.74 0.5850
28 CME Cg 3 27 25 7 1.544 116.722 -177.13 0.0560
29 H1M Hc E 28 27 25 1.090 109.199 -104.92 0.0000
30 H2M Hc E 28 27 25 1.091 109.840 135.47 0.0000
31 H3M Hc E 28 27 25 1.092 111.211 15.23 0.0000
32 O2N O E 27 25 7 1.229 121.350 4.57 -0.6000
LOOP
O5 C1
DONE
1xA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.247 115.740 -131.55 -0.3880
5 C1 Cg B 4 3 2 1.419 144.458 -64.90 0.4820
6 H1 H2 E 5 4 3 1.090 108.858 121.73 0.0000
7 O5 Os S 5 4 3 1.463 106.541 4.51 -0.5880
8 C5 Cg 3 7 5 4 1.489 117.248 -69.68 0.3350
9 H5A H1 E 8 7 5 1.091 108.858 68.16 0.0000
10 H5E H1 E 8 7 5 1.090 108.909 -174.49 0.0000
11 C4 Cg 3 8 7 5 1.539 111.025 -53.24 0.2470
12 H4 H1 E 11 8 7 1.091 108.937 -68.60 0.0000
13 O4 Oh S 11 8 7 1.453 108.593 173.08 -0.7200
14 H4O Ho E 13 11 8 0.967 107.931 -176.07 0.4200
15 C3 Cg 3 11 8 7 1.547 110.634 51.97 0.3590
16 H3 H1 E 15 11 8 1.092 109.703 67.85 0.0000
17 O3 Oh S 15 11 8 1.451 108.617 -173.43 -0.7120
18 H3O Ho E 17 15 11 0.966 107.240 165.38 0.4210
19 C2 Cg B 15 11 8 1.543 112.192 -53.97 0.1970
20 H2 H1 E 19 15 11 1.091 108.478 -65.50 0.0000
21 O2 Oh S 19 15 11 1.464 110.541 176.58 -0.6560
22 H2O Ho E 21 19 15 0.967 109.241 -84.85 0.4090
LOOP
C2 C1
DONE
1xB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.460 115.928 -131.25 -0.3880
5 C1 Cg B 4 3 2 1.422 134.028 -51.27 0.2480
6 H1 H2 E 5 4 3 1.091 108.928 -15.06 0.0000
7 C2 Cg 3 5 4 3 1.557 110.538 -136.90 0.4250
8 H2 H1 E 7 5 4 1.092 109.351 -49.29 0.0000
9 C3 Cg 3 7 5 4 1.547 111.138 -170.38 0.2280
10 H3 H1 E 9 7 5 1.092 109.005 -68.97 0.0000
11 C4 Cg 3 9 7 5 1.546 111.370 51.34 0.2860
12 H4 H1 E 11 9 7 1.091 109.653 67.94 0.0000
13 C5 Cg 3 11 9 7 1.541 111.571 -53.00 0.3030
14 H5A H1 E 13 11 9 1.092 110.518 -66.11 0.0000
15 H5E H1 E 13 11 9 1.090 110.176 174.39 0.0000
16 O5 Os E 13 11 9 1.482 109.795 54.26 -0.4470
17 O4 Oh S 11 9 7 1.447 109.213 -172.90 -0.7230
18 H4O Ho E 17 11 9 0.966 107.383 -51.48 0.4300
19 O3 Oh S 9 7 5 1.458 109.994 172.23 -0.6820
20 H3O Ho E 19 9 7 0.967 108.169 55.63 0.4270
21 O2 Oh S 7 5 4 1.452 109.095 69.74 -0.6990
22 H2O Ho E 21 7 5 0.965 106.939 -49.61 0.3980
LOOP
O5 C1
DONE
1xD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.464 115.119 -131.23 -0.3880
5 C1 Cg B 4 3 2 1.420 141.967 -85.32 0.4280
6 H1 H1 E 5 4 3 1.090 110.948 133.38 0.0000
7 O4 Os S 5 4 3 1.561 105.015 12.95 -0.5070
8 C4 Cg 3 7 5 4 1.593 113.153 -107.58 0.2370
9 H4 H1 E 8 7 5 1.090 108.789 116.35 0.0000
10 C5 Cg 3 8 7 5 1.543 109.223 -125.39 0.2800
11 H51 H1 E 10 8 7 1.090 111.083 166.42 0.0000
12 H52 H1 E 10 8 7 1.090 109.111 -74.77 0.0000
13 O5 Oh S 10 8 7 1.441 110.629 44.19 -0.6780
14 H5O Ho E 13 10 8 0.962 107.911 -53.44 0.4220
15 C3 Cg 3 8 7 5 1.626 104.822 0.57 0.3020
16 H3 H1 E 15 8 7 1.091 107.635 106.72 0.0000
17 O3 Oh S 15 8 7 1.447 113.750 -133.56 -0.7140
18 H3O Ho E 17 15 8 0.963 109.068 176.23 0.4260
19 C2 Cg B 15 8 7 1.634 107.473 -10.20 0.2480
20 H2 H1 E 19 15 8 1.091 108.718 -100.07 0.0000
21 O2 Oh S 19 15 8 1.455 111.279 140.82 -0.6570
22 H2O Ho E 21 19 15 0.967 107.830 -104.95 0.4070
LOOP
C2 C1
DONE
1xU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.842 116.299 -130.77 -0.3880
5 C1 Cg B 4 3 2 1.421 102.345 -55.30 0.3880
6 H1 H2 E 5 4 3 1.090 110.400 -4.87 0.0000
7 C2 Cg 3 5 4 3 1.632 111.381 -128.95 0.3820
8 H2 H1 E 7 5 4 1.091 109.438 -6.98 0.0000
9 C3 Cg 3 7 5 4 1.636 107.260 -125.47 0.2240
10 H3 H1 E 9 7 5 1.091 109.533 -107.12 0.0000
11 C4 Cg 3 9 7 5 1.626 107.660 10.02 0.1420
12 H4 H1 E 11 9 7 1.091 108.631 -124.08 0.0000
13 C5 Cg 3 11 9 7 1.541 115.732 113.08 0.2850
14 H51 H1 E 13 11 9 1.090 109.960 60.60 0.0000
15 H52 H1 E 13 11 9 1.091 110.415 -59.03 0.0000
16 O5 Oh S 13 11 9 1.439 110.113 -179.62 -0.6350
17 H5O Ho E 16 13 11 0.959 109.575 -48.10 0.3960
18 O4 Os E 11 9 7 1.585 104.984 -8.09 -0.4270
19 O3 Oh S 9 7 5 1.450 111.002 133.42 -0.6620
20 H3O Ho E 19 9 7 0.964 109.399 70.42 0.4120
21 O2 Oh S 7 5 4 1.454 112.254 113.36 -0.7310
22 H2O Ho E 21 7 5 0.963 109.130 -68.38 0.4200
LOOP
O4 C1
DONE
1yA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.236 115.731 -131.33 -0.3880
5 C1 Cg B 4 3 2 1.420 140.074 -62.73 0.4680
6 H1 H2 E 5 4 3 1.090 108.249 116.13 0.0000
7 O5 Os S 5 4 3 1.463 106.522 -0.13 -0.5680
8 C5 Cg 3 7 5 4 1.500 118.098 -74.20 0.2460
9 H5 H1 E 8 7 5 1.092 107.019 68.26 0.0000
10 C6 Cg 3 8 7 5 1.544 110.054 -175.47 0.3280
11 H61 H1 E 10 8 7 1.090 109.603 -54.04 0.0000
12 H62 H1 E 10 8 7 1.090 110.073 -172.40 0.0000
13 O6 Oh S 10 8 7 1.444 111.701 66.58 -0.6880
14 H6O Ho E 13 10 8 0.960 109.460 -179.56 0.4210
15 C4 Cg 3 8 7 5 1.544 111.305 -49.64 0.3220
16 H4 H1 E 15 8 7 1.091 109.775 -72.41 0.0000
17 O4 Oh S 15 8 7 1.448 108.615 168.54 -0.7330
18 H4O Ho E 17 15 8 0.967 106.060 -170.93 0.4490
19 C3 Cg 3 15 8 7 1.546 112.523 49.14 0.1650
20 H3 H1 E 19 15 8 1.092 109.255 68.91 0.0000
21 O3 Oh S 19 15 8 1.457 108.091 -173.19 -0.6300
22 H3O Ho E 21 19 15 0.977 109.893 135.62 0.4130
23 C2 Cg B 19 15 8 1.547 112.211 -51.74 0.2450
24 H2 H1 E 23 19 15 1.092 107.659 -66.49 0.0000
25 N2 Ng B 23 19 15 1.486 111.285 175.94 -0.5520
26 H2N H E 25 23 19 1.009 115.982 -94.71 0.2360
27 C2N C B 25 23 19 1.338 124.714 81.84 0.5880
28 O2N O E 27 25 23 1.228 121.379 -4.88 -0.5790
29 CME Cg 3 27 25 23 1.544 117.110 175.73 0.0630
30 H1M Hc E 29 27 25 1.090 109.379 118.32 0.0000
31 H2M Hc E 29 27 25 1.091 109.387 -122.31 0.0000
32 H3M Hc E 29 27 25 1.092 111.363 -2.06 0.0000
LOOP
C2 C1
DONE
1yB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.316 116.045 -131.91 -0.3880
5 C1 Cg B 4 3 2 1.424 133.110 -49.51 0.2870
6 H1 H2 E 5 4 3 1.091 108.240 -16.77 0.0000
7 C2 Cg 3 5 4 3 1.566 112.109 -138.25 0.4800
8 H2 H1 E 7 5 4 1.092 107.602 -55.82 0.0000
9 C3 Cg 3 7 5 4 1.555 109.532 -173.01 0.1800
10 H3 H1 E 9 7 5 1.092 108.635 -66.15 0.0000
11 C4 Cg 3 9 7 5 1.547 110.847 53.41 0.3020
12 H4 H1 E 11 9 7 1.092 109.529 65.76 0.0000
13 C5 Cg 3 11 9 7 1.542 111.743 -55.82 0.2080
14 H5 H1 E 13 11 9 1.092 109.079 -62.53 0.0000
15 C6 Cg 3 13 11 9 1.540 112.556 176.83 0.2890
16 H61 H1 E 15 13 11 1.090 110.526 60.82 0.0000
17 H62 H1 E 15 13 11 1.091 110.298 -59.01 0.0000
18 O6 Oh S 15 13 11 1.439 109.712 -179.18 -0.6890
19 H6O Ho E 18 15 13 0.961 108.379 54.80 0.4240
20 O5 Os E 13 11 9 1.493 108.679 55.34 -0.4330
21 O4 Oh S 11 9 7 1.444 108.505 -175.54 -0.7160
22 H4O Ho E 21 11 9 0.967 106.789 -52.54 0.4360
23 O3 Oh S 9 7 5 1.462 112.173 174.68 -0.6810
24 H3O Ho E 23 9 7 0.964 110.728 66.33 0.4230
25 N2 Ng B 7 5 4 1.484 111.108 64.13 -0.7220
26 H2N H E 25 7 5 1.006 117.592 43.53 0.3000
27 C2N C B 25 7 5 1.336 123.143 -126.00 0.6480
28 CME Cg 3 27 25 7 1.542 116.434 175.43 0.0340
29 H1M Hc E 28 27 25 1.091 109.335 82.58 0.0000
30 H2M Hc E 28 27 25 1.091 110.076 -157.79 0.0000
31 H3M Hc E 28 27 25 1.092 110.630 -37.74 0.0000
32 O2N O E 27 25 7 1.226 122.116 -6.61 -0.5760
LOOP
O5 C1
DONE
1zA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.229 115.590 -131.41 -0.3880
5 C1 Cg B 4 3 2 1.422 99.467 133.39 0.3980
6 H1 H2 E 5 4 3 1.090 108.692 11.22 0.0000
7 O5 Os S 5 4 3 1.458 106.131 -105.58 -0.5440
8 C5 Cg 3 7 5 4 1.515 118.156 -68.81 0.1870
9 H5 H1 E 8 7 5 1.092 105.702 62.73 0.0000
10 C6 C B 8 7 5 1.597 117.705 178.26 0.7980
11 O6B O2 E 10 8 7 1.252 118.424 -16.19 -0.7870
12 O6A O2 E 10 8 7 1.259 117.589 166.79 -0.7870
13 C4 Cg 3 8 7 5 1.550 110.155 -52.17 0.1930
14 H4 H1 E 13 8 7 1.091 108.479 -74.33 0.0000
15 O4 Oh S 13 8 7 1.452 107.400 168.29 -0.6820
16 H4O Ho E 15 13 8 0.983 105.869 47.72 0.4220
17 C3 Cg 3 13 8 7 1.555 113.190 47.11 0.3000
18 H3 H1 E 17 13 8 1.092 108.970 72.43 0.0000
19 O3 Oh S 17 13 8 1.458 110.360 -168.45 -0.7430
20 H3O Ho E 19 17 13 0.962 107.044 172.72 0.4390
21 C2 Cg B 17 13 8 1.547 112.948 -48.46 0.3260
22 H2 H1 E 21 17 13 1.091 108.371 -69.20 0.0000
23 O2 Oh S 21 17 13 1.467 110.467 172.90 -0.7320
24 H2O Ho E 23 21 17 0.965 107.076 -83.83 0.4060
LOOP
C2 C1
DONE
1zB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O1 Os M 3 2 1 32.294 116.117 -131.75 -0.3880
5 C1 Cg B 4 3 2 1.424 131.715 -54.31 0.2510
6 H1 H2 E 5 4 3 1.091 109.006 -12.31 0.0000
7 C2 Cg 3 5 4 3 1.556 111.189 -134.74 0.4110
8 H2 H1 E 7 5 4 1.092 109.113 -48.19 0.0000
9 C3 Cg 3 7 5 4 1.551 111.345 -168.80 0.2660
10 H3 H1 E 9 7 5 1.092 108.729 -71.83 0.0000
11 C4 Cg 3 9 7 5 1.552 112.291 48.56 0.2670
12 H4 H1 E 11 9 7 1.092 109.244 70.35 0.0000
13 C5 Cg 3 11 9 7 1.542 113.280 -50.40 0.0750
14 H5 H1 E 13 11 9 1.092 107.974 -63.51 0.0000
15 C6 C B 13 11 9 1.584 111.106 -178.60 0.8930
16 O6A O2 E 15 13 11 1.252 118.262 -140.20 -0.8180
17 O6B O2 E 15 13 11 1.258 117.333 41.17 -0.8180
18 O5 Os E 13 11 9 1.502 108.303 51.87 -0.4130
19 O4 Oh S 11 9 7 1.449 108.610 -171.54 -0.7330
20 H4O Ho E 19 11 9 0.987 105.292 166.54 0.4290
21 O3 Oh S 9 7 5 1.459 111.009 168.82 -0.7010
22 H3O Ho E 21 9 7 0.966 105.666 -171.43 0.4030
23 O2 Oh S 7 5 4 1.458 107.250 69.52 -0.7400
24 H2O Ho E 23 7 5 0.962 106.072 -51.06 0.4220
LOOP
O5 C1
DONE
2AA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.676 79.166 -133.49 0.4480
5 H1 H2 E 4 3 2 1.091 24.223 90.04 0.0000
6 C2 Cg M 4 3 2 1.547 97.401 -30.99 0.2680
7 H2 H1 E 6 4 3 1.092 109.940 -51.47 0.0000
8 C3 Cg 3 6 4 3 1.543 115.075 -176.20 0.3350
9 H3 H1 E 8 6 4 1.091 110.217 -167.01 0.0000
10 C4 Cg 3 8 6 4 1.543 111.532 -44.66 0.2450
11 H4 H1 E 10 8 6 1.091 108.482 -68.58 0.0000
12 C5 Cg 3 10 8 6 1.532 112.944 51.47 0.3790
13 H5E H1 E 12 10 8 1.090 110.447 -175.26 0.0000
14 H5A H1 E 12 10 8 1.091 110.923 64.60 0.0000
15 O5 Os E 12 10 8 1.479 108.551 -55.64 -0.5640
16 O4 Oh S 10 8 6 1.437 110.197 173.67 -0.7480
17 H4O Ho E 16 10 8 0.960 109.412 -61.02 0.4340
18 O3 Oh S 8 6 4 1.441 106.949 75.66 -0.7720
19 H3O Ho E 18 8 6 0.960 109.473 59.41 0.4610
20 O2 Os M 6 4 3 1.437 106.880 64.80 -0.4860
LOOP
O5 C1
DONE
2AB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.397 98.712 -136.08 0.3790
5 H1 H2 E 4 3 2 1.091 66.137 -93.73 0.0000
6 O5 Os M 4 3 2 1.466 132.905 172.33 -0.5290
7 C5 Cg M 6 4 3 1.485 114.414 139.79 0.3560
8 H5E H1 E 7 6 4 1.090 108.916 176.99 0.0000
9 H5A H1 E 7 6 4 1.091 109.188 -65.32 0.0000
10 C4 Cg M 7 6 4 1.546 110.184 56.30 0.2240
11 H4 H1 E 10 7 6 1.091 108.191 65.24 0.0000
12 O4 Oh S 10 7 6 1.458 110.447 -177.16 -0.7300
13 H4O Ho E 12 10 7 0.964 110.010 -151.69 0.4400
14 C3 Cg M 10 7 6 1.551 111.087 -54.27 0.2970
15 H3 H1 E 14 10 7 1.091 109.244 175.99 0.0000
16 O3 Oh S 14 10 7 1.454 109.593 -65.87 -0.6680
17 H3O Ho E 16 14 10 0.966 107.607 -47.31 0.4070
18 C2 Cg M 14 10 7 1.543 111.469 54.81 0.3000
19 H2 H1 E 18 14 10 1.091 109.979 -173.48 0.0000
20 O2 Os M 18 14 10 1.460 108.027 68.57 -0.4760
LOOP
C2 C1
DONE
2AD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.564 98.659 -135.87 0.3680
5 H1 H2 E 4 3 2 1.090 144.009 -170.21 0.0000
6 C2 Cg M 4 3 2 1.632 104.217 14.88 0.2780
7 H2 H1 E 6 4 3 1.092 109.712 54.58 0.0000
8 C3 Cg 3 6 4 3 1.638 107.428 -64.48 0.3700
9 H3 H1 E 8 6 4 1.091 109.719 -115.23 0.0000
10 C4 Cg 3 8 6 4 1.617 107.830 4.89 0.1470
11 H4 H1 E 10 8 6 1.091 109.995 109.41 0.0000
12 C5 Cg 3 10 8 6 1.531 113.111 -128.33 0.3380
13 H52 H1 E 12 10 8 1.090 110.286 -56.49 0.0000
14 H51 H1 E 12 10 8 1.090 110.161 -176.14 0.0000
15 O5 Oh S 12 10 8 1.438 109.271 63.95 -0.6960
16 H5O Ho E 15 12 10 0.963 107.879 70.16 0.3990
17 O4 Os E 10 8 6 1.585 105.385 -6.88 -0.4530
18 O3 Oh S 8 6 4 1.445 110.901 124.99 -0.7030
19 H3O Ho E 18 8 6 0.962 109.189 61.81 0.4040
20 O2 Os M 6 4 3 1.459 111.670 174.46 -0.4520
LOOP
O4 C1
DONE
2AU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.667 98.632 -136.10 0.4770
5 H1 H2 E 4 3 2 1.090 95.669 -91.76 0.0000
6 O4 Os M 4 3 2 1.559 125.393 147.34 -0.5320
7 C4 Cg M 6 4 3 1.592 113.400 -118.27 0.3270
8 H4 H1 E 7 6 4 1.091 108.372 -116.19 0.0000
9 C5 Cg 3 7 6 4 1.536 109.955 123.86 0.2270
10 H52 H1 E 9 7 6 1.090 110.003 -58.66 0.0000
11 H51 H1 E 9 7 6 1.090 110.273 -178.18 0.0000
12 O5 Oh S 9 7 6 1.440 109.976 61.40 -0.6500
13 H5O Ho E 12 9 7 0.963 109.100 -48.75 0.3970
14 C3 Cg M 7 6 4 1.623 104.988 1.35 0.2150
15 H3 H1 E 14 7 6 1.091 109.455 110.64 0.0000
16 O3 Oh S 14 7 6 1.449 110.805 -129.50 -0.7280
17 H3O Ho E 16 14 7 0.965 109.557 -174.52 0.4370
18 C2 Cg M 14 7 6 1.636 107.636 -8.35 0.3280
19 H2 H1 E 18 14 7 1.091 108.941 -103.94 0.0000
20 O2 Os M 18 14 7 1.456 110.454 137.54 -0.4980
LOOP
C2 C1
DONE
2BA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 22.395 100.309 -133.80 -0.3880
5 C2 Cg B 4 3 2 1.443 97.380 78.32 0.1300
6 C1 Cg 3 5 4 3 1.560 108.017 20.24 0.4280
7 H12 H1 E 6 5 4 1.091 110.098 -49.76 0.0000
8 H11 H1 E 6 5 4 1.090 109.813 68.66 0.0000
9 O1 Oh S 6 5 4 1.443 112.003 -170.25 -0.6780
10 H1O Ho E 9 6 5 0.961 107.457 73.22 0.3990
11 C3 Cg 3 5 4 3 1.559 111.736 -103.78 0.3720
12 H3 H1 E 11 5 4 1.092 108.445 -176.88 0.0000
13 C4 Cg 3 11 5 4 1.548 110.877 -59.24 0.3350
14 H4 H1 E 13 11 5 1.092 109.910 62.48 0.0000
15 C5 Cg 3 13 11 5 1.550 109.394 -58.65 0.2240
16 H5 H1 E 15 13 11 1.091 109.416 -64.57 0.0000
17 C6 Cg 3 15 13 11 1.544 111.673 55.39 0.3410
18 H6E H1 E 17 15 13 1.090 110.000 -171.23 0.0000
19 H6A H1 E 17 15 13 1.091 110.069 70.07 0.0000
20 O6 Os E 17 15 13 1.491 111.103 -50.56 -0.5070
21 O5 Oh S 15 13 11 1.455 110.457 176.19 -0.6900
22 H5O Ho E 21 15 13 0.963 109.307 77.89 0.4290
23 O4 Oh S 13 11 5 1.461 109.578 -178.37 -0.7240
24 H4O Ho E 23 13 11 0.964 108.580 -150.69 0.4210
25 O3 Oh S 11 5 4 1.456 111.120 65.85 -0.7160
26 H3O Ho E 25 11 5 0.964 107.033 -168.33 0.4300
LOOP
O6 C2
DONE
2BB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 22.427 98.903 -133.55 -0.3880
5 C2 Cg B 4 3 2 1.435 131.573 -76.25 0.2270
6 O6 Os S 5 4 3 1.482 106.120 -137.64 -0.4770
7 C6 Cg 3 6 5 4 1.485 116.916 -172.49 0.3110
8 H6E H1 E 7 6 5 1.090 109.104 176.90 0.0000
9 H6A H1 E 7 6 5 1.091 109.162 -65.19 0.0000
10 C5 Cg 3 7 6 5 1.543 109.751 56.11 0.3400
11 H5 H1 E 10 7 6 1.091 108.952 69.35 0.0000
12 O5 Oh S 10 7 6 1.444 108.793 -172.08 -0.7200
13 H5O Ho E 12 10 7 0.966 106.322 170.63 0.4290
14 C4 Cg 3 10 7 6 1.545 112.662 -52.43 0.1080
15 H4 H1 E 14 10 7 1.092 109.257 -67.90 0.0000
16 O4 Oh S 14 10 7 1.460 109.081 173.87 -0.6750
17 H4O Ho E 16 14 10 0.968 108.634 -176.45 0.4350
18 C3 Cg B 14 10 7 1.550 110.670 52.18 0.4640
19 H3 H1 E 18 14 10 1.092 108.385 68.01 0.0000
20 O3 Oh S 18 14 10 1.453 108.659 -174.74 -0.7300
21 H3O Ho E 20 18 14 0.965 106.403 -179.38 0.4320
22 C1 Cg 3 5 4 3 1.563 108.114 -18.09 0.2810
23 H12 H1 E 22 5 4 1.091 110.325 55.14 0.0000
24 H11 H1 E 22 5 4 1.090 110.121 173.85 0.0000
25 O1 Oh S 22 5 4 1.444 111.743 -65.73 -0.6260
26 H1O Ho E 25 22 5 0.960 109.452 179.75 0.3950
LOOP
C3 C2
DONE
2BD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 22.464 100.088 -134.61 -0.3880
5 C2 Cg B 4 3 2 1.435 62.822 68.66 0.2410
6 C1 Cg 3 5 4 3 1.546 109.248 0.75 0.3130
7 H12 H1 E 6 5 4 1.090 110.325 -57.18 0.0000
8 H11 H1 E 6 5 4 1.091 109.856 61.94 0.0000
9 O1 Oh S 6 5 4 1.443 110.871 -177.70 -0.6680
10 H1O Ho E 9 6 5 0.961 109.037 -163.85 0.4140
11 C3 Cg 3 5 4 3 1.641 112.444 -128.03 0.4400
12 H3 H1 E 11 5 4 1.090 108.442 150.14 0.0000
13 C4 Cg 3 11 5 4 1.636 106.644 -94.21 0.2250
14 H4 H1 E 13 11 5 1.091 108.604 98.33 0.0000
15 C5 Cg 3 13 11 5 1.626 107.413 -17.56 0.2710
16 H5 H1 E 15 13 11 1.091 108.621 126.81 0.0000
17 C6 Cg 3 15 13 11 1.543 115.360 -109.99 0.2810
18 H62 H1 E 17 15 13 1.091 109.980 67.38 0.0000
19 H61 H1 E 17 15 13 1.090 110.249 -51.87 0.0000
20 O6 Oh S 17 15 13 1.443 110.886 -171.63 -0.6790
21 H6O Ho E 20 17 15 0.959 110.164 69.40 0.4110
22 O5 Os E 15 13 11 1.587 104.732 10.45 -0.4520
23 O4 Oh S 13 11 5 1.457 112.032 -142.43 -0.7100
24 H4O Ho E 23 13 11 0.965 109.577 -74.18 0.4350
25 O3 Oh S 11 5 4 1.453 115.892 29.51 -0.7320
26 H3O Ho E 25 11 5 0.959 109.052 121.29 0.4040
LOOP
O5 C2
DONE
2BU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 22.872 99.079 -133.50 -0.3880
5 C2 Cg B 4 3 2 1.436 116.401 -82.76 0.2470
6 O5 Os S 5 4 3 1.568 109.234 -140.02 -0.3850
7 C5 Cg 3 6 5 4 1.582 113.720 -119.88 0.2100
8 H5 H1 E 7 6 5 1.091 108.799 -121.64 0.0000
9 C6 Cg 3 7 6 5 1.541 109.962 118.91 0.3320
10 H62 H1 E 9 7 6 1.090 110.302 -58.44 0.0000
11 H61 H1 E 9 7 6 1.090 109.861 -177.80 0.0000
12 O6 Oh S 9 7 6 1.442 110.695 62.46 -0.7010
13 H6O Ho E 12 9 7 0.959 110.169 52.94 0.4090
14 C4 Cg 3 7 6 5 1.624 104.801 -5.21 0.2830
15 H4 H1 E 14 7 6 1.091 107.561 -105.82 0.0000
16 O4 Oh S 14 7 6 1.453 112.691 135.08 -0.7550
17 H4O Ho E 16 14 7 0.964 109.402 171.47 0.4340
18 C3 Cg B 14 7 6 1.637 107.577 11.31 0.3820
19 H3 H1 E 18 14 7 1.091 108.163 103.95 0.0000
20 O3 Oh S 18 14 7 1.455 110.878 -138.10 -0.7420
21 H3O Ho E 20 18 14 0.963 108.479 -160.63 0.4260
22 C1 Cg 3 5 4 3 1.553 109.755 -20.21 0.2990
23 H12 H1 E 22 5 4 1.091 110.361 59.59 0.0000
24 H11 H1 E 22 5 4 1.091 109.538 178.41 0.0000
25 O1 Oh S 22 5 4 1.445 111.462 -61.49 -0.6270
26 H1O Ho E 25 22 5 0.960 109.374 -172.60 0.3820
LOOP
C3 C2
DONE
2CA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 22.181 100.283 -133.64 -0.3880
5 C2 Cg B 4 3 2 1.424 104.981 76.00 0.3450
6 C1 Cg 3 5 4 3 1.567 106.273 22.44 0.3860
7 H12 H1 E 6 5 4 1.091 109.446 -64.91 0.0000
8 H11 H1 E 6 5 4 1.091 110.132 53.26 0.0000
9 O1 Oh S 6 5 4 1.446 112.801 174.36 -0.6960
10 H1O Ho E 9 6 5 0.968 106.626 39.29 0.4020
11 C3 Cg 3 5 4 3 1.575 109.040 -100.30 0.2470
12 H3 H1 E 11 5 4 1.092 108.668 44.47 0.0000
13 C4 Cg 3 11 5 4 1.551 113.411 -76.84 0.3670
14 H4 H1 E 13 11 5 1.091 108.797 -167.01 0.0000
15 C5 Cg 3 13 11 5 1.544 112.343 -46.95 0.1950
16 H5 H1 E 15 13 11 1.091 108.612 -61.32 0.0000
17 C6 Cg 3 15 13 11 1.538 109.577 57.29 0.4370
18 H6E H1 E 17 15 13 1.090 109.936 -178.47 0.0000
19 H6A H1 E 17 15 13 1.091 110.981 62.19 0.0000
20 O6 Os E 17 15 13 1.483 109.646 -58.96 -0.6200
21 O5 Oh S 15 13 11 1.462 110.821 -179.28 -0.7090
22 H5O Ho E 21 15 13 0.964 110.741 154.55 0.4150
23 O4 Oh S 13 11 5 1.450 110.082 76.05 -0.7200
24 H4O Ho E 23 13 11 0.965 107.347 -174.93 0.3940
25 O3 Oh S 11 5 4 1.466 111.567 161.74 -0.6550
26 H3O Ho E 25 11 5 0.965 109.737 -159.40 0.4060
LOOP
O6 C2
DONE
2CB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 22.464 98.634 -133.48 -0.3880
5 C2 Cg B 4 3 2 1.438 132.140 -78.22 0.2440
6 O6 Os S 5 4 3 1.480 107.056 -136.47 -0.4600
7 C6 Cg 3 6 5 4 1.482 117.080 -172.07 0.3650
8 H6E H1 E 7 6 5 1.090 108.978 178.11 0.0000
9 H6A H1 E 7 6 5 1.091 109.532 -63.87 0.0000
10 C5 Cg 3 7 6 5 1.539 109.460 57.67 0.1950
11 H5 H1 E 10 7 6 1.091 107.780 64.61 0.0000
12 O5 Oh S 10 7 6 1.457 110.279 -178.31 -0.6840
13 H5O Ho E 12 10 7 0.965 109.084 80.29 0.4150
14 C4 Cg 3 10 7 6 1.549 112.024 -54.46 0.3440
15 H4 H1 E 14 10 7 1.091 108.628 172.57 0.0000
16 O4 Oh S 14 10 7 1.459 109.986 -70.35 -0.6980
17 H4O Ho E 16 14 10 0.964 108.929 -144.70 0.4170
18 C3 Cg B 14 10 7 1.551 111.995 51.70 0.3170
19 H3 H1 E 18 14 10 1.091 109.680 -170.27 0.0000
20 O3 Oh S 18 14 10 1.453 106.815 73.47 -0.6970
21 H3O Ho E 20 18 14 0.968 105.774 -153.52 0.4070
22 C1 Cg 3 5 4 3 1.563 106.385 -17.68 0.2970
23 H12 H1 E 22 5 4 1.091 110.065 60.55 0.0000
24 H11 H1 E 22 5 4 1.088 110.800 179.57 0.0000
25 O1 Oh S 22 5 4 1.447 111.733 -60.37 -0.6690
26 H1O Ho E 25 22 5 0.961 109.456 -178.60 0.4010
LOOP
C3 C2
DONE
2CD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 22.498 99.718 -134.46 -0.3880
5 C2 Cg B 4 3 2 1.430 59.093 78.35 0.2840
6 C1 Cg 3 5 4 3 1.556 109.575 5.68 0.3700
7 H12 H1 E 6 5 4 1.091 109.651 -59.81 0.0000
8 H11 H1 E 6 5 4 1.091 110.210 59.04 0.0000
9 O1 Oh S 6 5 4 1.441 111.328 -179.98 -0.6880
10 H1O Ho E 9 6 5 0.970 106.366 49.38 0.4140
11 C3 Cg 3 5 4 3 1.638 107.242 -122.76 0.2820
12 H3 H1 E 11 5 4 1.091 111.006 23.83 0.0000
13 C4 Cg 3 11 5 4 1.638 106.495 -97.41 0.3320
14 H4 H1 E 13 11 5 1.091 111.116 -136.07 0.0000
15 C5 Cg 3 13 11 5 1.621 107.987 -13.87 0.3090
16 H5 H1 E 15 13 11 1.092 110.544 126.66 0.0000
17 C6 Cg 3 15 13 11 1.538 111.506 -110.78 0.2650
18 H62 H1 E 17 15 13 1.091 109.952 69.16 0.0000
19 H61 H1 E 17 15 13 1.090 109.956 -49.70 0.0000
20 O6 Oh S 17 15 13 1.442 111.246 -169.72 -0.6640
21 H6O Ho E 20 17 15 0.960 110.855 67.48 0.4120
22 O5 Os E 15 13 11 1.584 104.926 8.85 -0.4980
23 O4 Oh S 13 11 5 1.453 108.919 105.00 -0.7840
24 H4O Ho E 23 13 11 0.965 110.375 -49.86 0.4440
25 O3 Oh S 11 5 4 1.460 111.917 144.52 -0.7160
26 H3O Ho E 25 11 5 0.965 109.355 -165.56 0.4320
LOOP
O5 C2
DONE
2CU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 26.037 80.270 -135.47 -0.3880
5 C2 Cg B 4 3 2 1.441 132.894 -110.83 0.2390
6 O5 Os S 5 4 3 1.575 112.415 -152.30 -0.4490
7 C5 Cg 3 6 5 4 1.577 112.749 -127.24 0.3100
8 H5 H1 E 7 6 5 1.092 109.362 -121.32 0.0000
9 C6 Cg 3 7 6 5 1.529 108.415 119.08 0.2720
10 H62 H1 E 9 7 6 1.091 110.618 -56.09 0.0000
11 H61 H1 E 9 7 6 1.090 110.315 -176.31 0.0000
12 O6 Oh S 9 7 6 1.433 108.667 64.08 -0.6520
13 H6O Ho E 12 9 7 0.960 109.494 59.32 0.3970
14 C4 Cg 3 7 6 5 1.622 105.503 -1.90 0.2930
15 H4 H1 E 14 7 6 1.092 112.170 133.69 0.0000
16 O4 Oh S 14 7 6 1.434 107.738 -106.47 -0.7630
17 H4O Ho E 16 14 7 0.960 109.480 -62.64 0.4310
18 C3 Cg B 14 7 6 1.624 107.882 8.77 0.3330
19 H3 H1 E 18 14 7 1.091 112.343 -135.61 0.0000
20 O3 Oh S 18 14 7 1.439 105.085 106.18 -0.6910
21 H3O Ho E 20 18 14 0.960 109.418 -177.11 0.4100
22 C1 Cg 3 5 4 3 1.537 107.629 -32.85 0.2870
23 H12 H1 E 22 5 4 1.091 110.638 53.98 0.0000
24 H11 H1 E 22 5 4 1.091 109.952 173.27 0.0000
25 O1 Oh S 22 5 4 1.437 110.256 -67.03 -0.6240
26 H1O Ho E 25 22 5 0.960 109.490 -179.97 0.4010
LOOP
C3 C2
DONE
2DA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.544 98.481 -135.71 0.3980
5 H1 H2 E 4 3 2 1.090 143.293 157.80 0.0000
6 C2 Cg M 4 3 2 1.559 100.528 13.66 0.2460
7 H2 H1 E 6 4 3 1.091 109.379 88.56 0.0000
8 C3 Cg 3 6 4 3 1.549 110.494 -31.75 0.1840
9 H3 H1 E 8 6 4 1.091 107.825 63.24 0.0000
10 C4 Cg 3 8 6 4 1.545 111.008 -55.58 0.3510
11 H4 H1 E 10 8 6 1.091 110.279 -64.03 0.0000
12 C5 Cg 3 10 8 6 1.543 110.247 57.45 0.2750
13 H5E H1 E 12 10 8 1.090 110.034 -173.80 0.0000
14 H5A H1 E 12 10 8 1.092 109.852 67.71 0.0000
15 O5 Os E 12 10 8 1.490 111.684 -52.70 -0.4870
16 O4 Oh S 10 8 6 1.447 108.954 176.38 -0.7110
17 H4O Ho E 16 10 8 0.966 106.152 48.96 0.4220
18 O3 Oh S 8 6 4 1.459 111.377 -179.63 -0.6550
19 H3O Ho E 18 8 6 0.962 110.146 -45.63 0.4170
20 O2 Os M 6 4 3 1.458 109.515 -153.38 -0.4400
LOOP
O5 C1
DONE
2DB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.719 100.298 -130.46 0.4480
5 H1 H2 E 4 3 2 1.091 138.149 179.98 0.0000
6 O5 Os M 4 3 2 1.480 43.169 119.64 -0.5190
7 C5 Cg M 6 4 3 1.480 115.118 -158.52 0.2750
8 H5E H1 E 7 6 4 1.090 109.162 177.52 0.0000
9 H5A H1 E 7 6 4 1.092 108.688 -64.77 0.0000
10 C4 Cg M 7 6 4 1.539 110.071 56.42 0.3350
11 H4 H1 E 10 7 6 1.091 109.494 72.24 0.0000
12 O4 Oh S 10 7 6 1.436 107.087 -169.38 -0.7090
13 H4O Ho E 12 10 7 0.960 109.449 -179.03 0.4360
14 C3 Cg M 10 7 6 1.543 111.797 -50.34 0.2010
15 H3 H1 E 14 10 7 1.092 109.081 -68.08 0.0000
16 O3 Oh S 14 10 7 1.440 109.833 173.78 -0.7010
17 H3O Ho E 16 14 10 0.960 109.476 58.38 0.4320
18 C2 Cg M 14 10 7 1.543 112.432 51.79 0.2260
19 H2 H1 E 18 14 10 1.091 110.138 -175.60 0.0000
20 O2 Os M 18 14 10 1.446 109.378 64.40 -0.4240
LOOP
C2 C1
DONE
2DD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.439 98.549 -135.93 0.3800
5 H1 H1 E 4 3 2 1.090 138.129 177.38 0.0000
6 C2 Cg M 4 3 2 1.631 107.390 17.90 0.2290
7 H2 H1 E 6 4 3 1.091 108.957 30.09 0.0000
8 C3 Cg 3 6 4 3 1.641 106.976 -85.59 0.2980
9 H3 H1 E 8 6 4 1.090 111.055 137.68 0.0000
10 C4 Cg 3 8 6 4 1.624 106.916 15.94 0.1890
11 H4 H1 E 10 8 6 1.091 107.278 99.07 0.0000
12 C5 Cg 3 10 8 6 1.537 117.355 -138.29 0.3050
13 H52 H1 E 12 10 8 1.090 110.349 -57.47 0.0000
14 H51 H1 E 12 10 8 1.090 110.600 62.82 0.0000
15 O5 Oh S 12 10 8 1.438 108.908 -177.29 -0.6970
16 H5O Ho E 15 12 10 0.962 108.141 -56.44 0.4140
17 O4 Os E 10 8 6 1.588 104.960 -15.19 -0.4230
18 O3 Oh S 8 6 4 1.446 108.928 -102.08 -0.6780
19 H3O Ho E 18 8 6 0.969 106.468 -24.27 0.4170
20 O2 Os M 6 4 3 1.459 112.707 149.62 -0.4340
LOOP
O4 C1
DONE
2DU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.520 -135.68 0.4360
5 H1 H2 E 4 3 2 1.090 44.078 -112.04 0.0000
6 O4 Os M 4 3 2 1.554 137.950 -176.42 -0.5170
7 C4 Cg M 6 4 3 1.588 113.584 155.63 0.1350
8 H4 H1 E 7 6 4 1.091 108.738 -120.59 0.0000
9 C5 Cg 3 7 6 4 1.542 110.504 119.77 0.3730
10 H52 H1 E 9 7 6 1.091 110.456 -60.02 0.0000
11 H51 H1 E 9 7 6 1.090 109.887 -179.59 0.0000
12 O5 Oh S 9 7 6 1.439 110.322 60.67 -0.7250
13 H5O Ho E 12 9 7 0.959 109.321 36.11 0.4180
14 C3 Cg M 7 6 4 1.620 104.668 -4.25 0.3000
15 H3 H1 E 14 7 6 1.091 107.749 -104.45 0.0000
16 O3 Oh S 14 7 6 1.446 112.944 136.27 -0.6420
17 H3O Ho E 16 14 7 0.970 106.239 -112.71 0.4050
18 C2 Cg M 14 7 6 1.642 107.806 11.75 0.2840
19 H2 H1 E 18 14 7 1.089 110.775 -134.90 0.0000
20 O2 Os M 18 14 7 1.464 109.295 105.12 -0.4670
LOOP
C2 C1
DONE
2EA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 C3 Cg 3 6 4 3 1.541 114.896 172.06 0.3280
9 H3 H1 E 8 6 4 1.091 110.106 -167.45 0.0000
10 C4 Cg 3 8 6 4 1.544 111.809 -45.05 0.2610
11 H4 H1 E 10 8 6 1.091 108.188 -68.68 0.0000
12 C5 Cg 3 10 8 6 1.541 113.133 51.50 0.3740
13 H5 H1 E 12 10 8 1.092 109.237 63.30 0.0000
14 C6 Cg 3 12 10 8 1.535 114.012 -174.39 0.2590
15 H62 H1 E 14 12 10 1.090 110.525 -56.55 0.0000
16 H61 H1 E 14 12 10 1.091 110.727 63.66 0.0000
17 O6 Oh S 14 12 10 1.434 108.916 -175.95 -0.6630
18 H6O Ho E 17 14 12 0.960 109.470 59.69 0.4060
19 O5 Os E 12 10 8 1.485 107.816 -54.81 -0.5870
20 O4 Oh S 10 8 6 1.439 109.304 174.29 -0.7210
21 H4O Ho E 20 10 8 0.960 109.412 -61.37 0.4150
22 O3 Oh S 8 6 4 1.442 106.866 75.38 -0.7140
23 H3O Ho E 22 8 6 0.960 109.461 58.71 0.4200
24 O2 Os M 6 4 3 1.437 106.903 53.10 -0.4370
LOOP
O5 C1
DONE
2EB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Oh S 9 7 6 1.439 109.977 57.72 -0.6770
13 H6O Ho E 12 9 7 0.962 108.042 -50.79 0.4080
14 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
15 H4 H1 E 14 7 6 1.091 108.584 66.50 0.0000
16 O4 Oh S 14 7 6 1.457 110.564 -175.67 -0.7240
17 H4O Ho E 16 14 7 0.964 110.039 -157.92 0.4200
18 C3 Cg M 14 7 6 1.554 111.196 -53.07 0.3150
19 H3 H1 E 18 14 7 1.091 109.198 176.72 0.0000
20 O3 Oh S 18 14 7 1.454 110.601 -64.53 -0.6810
21 H3O Ho E 20 18 14 0.965 108.397 -50.06 0.4030
22 C2 Cg M 18 14 7 1.540 111.264 55.77 0.1840
23 H2 H1 E 22 18 14 1.091 109.856 -175.33 0.0000
24 O2 Os M 22 18 14 1.463 107.825 66.95 -0.4590
LOOP
C2 C1
DONE
2FA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.482 98.666 -135.91 0.3990
5 H1 H2 E 4 3 2 1.090 143.009 167.64 0.0000
6 C2 Cg M 4 3 2 1.566 103.719 15.57 0.4560
7 H2 H1 E 6 4 3 1.091 107.661 -140.81 0.0000
8 C3 Cg 3 6 4 3 1.550 109.810 -22.26 0.2280
9 H3 H1 E 8 6 4 1.091 109.256 60.66 0.0000
10 C4 Cg 3 8 6 4 1.549 109.944 -58.35 0.2630
11 H4 H1 E 10 8 6 1.091 108.978 175.77 0.0000
12 C5 Cg 3 10 8 6 1.554 111.442 55.77 0.1870
13 H5 H1 E 12 10 8 1.091 107.126 67.59 0.0000
14 C6 Cg 3 12 10 8 1.531 115.122 -173.47 0.0650
15 H63 Hc E 14 12 10 1.090 111.280 -55.79 0.0000
16 H62 Hc E 14 12 10 1.091 111.136 -175.22 0.0000
17 H61 Hc E 14 12 10 1.091 112.013 64.74 0.0000
18 O5 Os E 12 10 8 1.495 111.650 -50.00 -0.4940
19 O4 Oh S 10 8 6 1.452 109.204 -66.42 -0.7390
20 H4O Ho E 19 10 8 0.966 107.152 -53.10 0.4470
21 O3 Oh S 8 6 4 1.464 112.278 179.81 -0.6930
22 H3O Ho E 21 8 6 0.965 108.720 -78.93 0.4260
23 O2 Os M 6 4 3 1.463 112.192 101.91 -0.5450
LOOP
O5 C1
DONE
2FB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 27.023 80.980 -137.29 0.4180
5 H1 H2 E 4 3 2 1.091 89.699 -141.90 0.0000
6 O5 Os M 4 3 2 1.479 135.888 101.36 -0.4420
7 C5 Cg M 6 4 3 1.481 116.331 175.37 0.1060
8 H5 H1 E 7 6 4 1.092 108.301 -57.82 0.0000
9 C6 Cg 3 7 6 4 1.531 108.182 -173.94 0.0920
10 H63 Hc E 9 7 6 1.091 111.199 179.97 0.0000
11 H62 Hc E 9 7 6 1.091 112.070 -59.60 0.0000
12 H61 Hc E 9 7 6 1.091 111.160 60.55 0.0000
13 C4 Cg M 7 6 4 1.543 108.818 59.65 0.2290
14 H4 H1 E 13 7 6 1.091 109.875 -177.36 0.0000
15 O4 Oh S 13 7 6 1.445 108.672 63.53 -0.6590
16 H4O Ho E 15 13 7 0.960 109.451 59.43 0.4230
17 C3 Cg M 13 7 6 1.542 109.625 -56.43 0.2550
18 H3 H1 E 17 13 7 1.092 107.830 -66.01 0.0000
19 O3 Oh S 17 13 7 1.440 109.284 176.95 -0.6760
20 H3O Ho E 19 17 13 0.960 109.419 178.46 0.4270
21 C2 Cg M 17 13 7 1.542 112.898 54.44 0.3460
22 H2 H1 E 21 17 13 1.092 109.972 72.13 0.0000
23 O2 Os M 21 17 13 1.439 107.835 -168.68 -0.5190
LOOP
C2 C1
DONE
2GA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 C3 Cg 3 6 4 3 1.543 111.424 -164.87 0.2860
9 H3 H1 E 8 6 4 1.092 109.239 69.49 0.0000
10 C4 Cg 3 8 6 4 1.547 112.114 -52.22 0.2540
11 H4 H1 E 10 8 6 1.092 109.454 -66.45 0.0000
12 C5 Cg 3 10 8 6 1.543 111.254 54.50 0.2830
13 H5 H1 E 12 10 8 1.092 108.261 65.38 0.0000
14 C6 Cg 3 12 10 8 1.546 112.538 -174.79 0.2760
15 H62 H1 E 14 12 10 1.090 110.682 -45.93 0.0000
16 H61 H1 E 14 12 10 1.091 110.014 73.31 0.0000
17 O6 Oh S 14 12 10 1.444 110.823 -165.78 -0.6820
18 H6O Ho E 17 14 12 0.960 109.735 78.35 0.4180
19 O5 Os E 12 10 8 1.500 109.539 -52.54 -0.5740
20 O4 Oh S 10 8 6 1.451 108.956 174.69 -0.7100
21 H4O Ho E 20 10 8 0.968 107.227 50.66 0.4360
22 O3 Oh S 8 6 4 1.452 108.531 -172.18 -0.6990
23 H3O Ho E 22 8 6 0.967 107.382 -43.08 0.4270
24 O2 Os M 6 4 3 1.465 111.499 -41.43 -0.4700
LOOP
O5 C1
DONE
2GB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Oh S 9 7 6 1.440 109.810 57.27 -0.6880
13 H6O Ho E 12 9 7 0.962 108.265 -53.10 0.4240
14 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
15 H4 H1 E 14 7 6 1.092 109.352 66.92 0.0000
16 O4 Oh S 14 7 6 1.448 108.899 -174.36 -0.7140
17 H4O Ho E 16 14 7 0.967 107.435 172.17 0.4400
18 C3 Cg M 14 7 6 1.548 111.306 -54.04 0.2840
19 H3 H1 E 18 14 7 1.092 109.104 -67.30 0.0000
20 O3 Oh S 18 14 7 1.454 108.817 174.47 -0.7090
21 H3O Ho E 20 18 14 0.967 107.396 -174.95 0.4320
22 C2 Cg M 18 14 7 1.545 112.113 53.55 0.3100
23 H2 H1 E 22 18 14 1.092 109.394 68.33 0.0000
24 O2 Os M 22 18 14 1.458 108.975 -172.91 -0.4750
LOOP
C2 C1
DONE
2HA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.582 98.678 -136.05 0.3940
5 H1 H2 E 4 3 2 1.090 147.150 175.74 0.0000
6 C2 Cg M 4 3 2 1.554 100.578 20.48 0.2480
7 H2 H1 E 6 4 3 1.091 109.542 95.73 0.0000
8 C3 Cg 3 6 4 3 1.545 110.654 -24.92 0.2360
9 H3 H1 E 8 6 4 1.092 108.370 66.81 0.0000
10 C4 Cg 3 8 6 4 1.545 112.380 -53.49 0.1870
11 H4 H1 E 10 8 6 1.091 109.690 -65.16 0.0000
12 C5 Cg 3 10 8 6 1.549 110.317 55.89 0.2790
13 H5 H1 E 12 10 8 1.092 108.902 66.22 0.0000
14 C6 Cg 3 12 10 8 1.530 113.869 -172.74 0.0230
15 H63 Hc E 14 12 10 1.090 111.509 -61.06 0.0000
16 H62 Hc E 14 12 10 1.091 111.314 179.43 0.0000
17 H61 Hc E 14 12 10 1.091 111.668 59.25 0.0000
18 O5 Os E 12 10 8 1.486 110.695 -52.49 -0.4610
19 O4 Oh S 10 8 6 1.456 108.727 175.97 -0.6440
20 H4O Ho E 19 10 8 0.963 110.183 165.58 0.4050
21 O3 Oh S 8 6 4 1.452 109.719 -175.81 -0.6490
22 H3O Ho E 21 8 6 0.965 106.808 176.43 0.4250
23 O2 Os M 6 4 3 1.456 109.547 -146.01 -0.4430
LOOP
O5 C1
DONE
2HB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 29.347 69.123 -148.90 0.3810
5 H1 H2 E 4 3 2 1.091 126.377 48.27 0.0000
6 O5 Os M 4 3 2 1.479 92.197 -66.81 -0.4270
7 C5 Cg M 6 4 3 1.483 115.750 -171.42 0.1720
8 H5 H1 E 7 6 4 1.092 107.917 -63.31 0.0000
9 C6M Cg 3 7 6 4 1.530 107.056 -179.94 0.0390
10 H1M Hc E 9 7 6 1.091 111.297 57.52 0.0000
11 H2M Hc E 9 7 6 1.091 111.709 -62.68 0.0000
12 H3M Hc E 9 7 6 1.091 111.441 177.01 0.0000
13 C4 Cg M 7 6 4 1.547 109.717 55.61 0.3880
14 H4 H1 E 13 7 6 1.092 109.750 73.54 0.0000
15 O4 Oh S 13 7 6 1.438 107.632 -167.68 -0.7280
16 H4O Ho E 15 13 7 0.960 109.440 -59.01 0.4320
17 C3 Cg M 13 7 6 1.543 112.131 -48.94 0.1820
18 H3 H1 E 17 13 7 1.092 109.049 -68.66 0.0000
19 O3 Oh S 17 13 7 1.440 109.818 173.25 -0.6650
20 H3O Ho E 19 17 13 0.960 109.425 57.73 0.4180
21 C2 Cg M 17 13 7 1.542 112.684 51.25 0.2430
22 H2 H1 E 21 17 13 1.091 110.140 -175.78 0.0000
23 O2 Os M 21 17 13 1.446 109.350 64.20 -0.4350
LOOP
C2 C1
DONE
2JA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 22.373 100.095 -133.83 -0.3880
5 C2 Cg B 4 3 2 1.436 97.719 79.32 0.1140
6 C1 Cg 3 5 4 3 1.562 107.302 17.33 0.4100
7 H12 H1 E 6 5 4 1.091 109.780 -64.38 0.0000
8 H11 H1 E 6 5 4 1.091 110.432 54.55 0.0000
9 O1 Oh S 6 5 4 1.437 111.258 175.28 -0.6560
10 H1O Ho E 9 6 5 0.970 105.489 31.79 0.4050
11 C3 Cg 3 5 4 3 1.561 108.237 -105.50 0.2710
12 H3 H1 E 11 5 4 1.091 109.484 54.21 0.0000
13 C4 Cg 3 11 5 4 1.550 111.054 -66.26 0.2810
14 H4 H1 E 13 11 5 1.091 108.892 64.55 0.0000
15 C5 Cg 3 13 11 5 1.547 111.417 -55.51 0.2730
16 H5 H1 E 15 13 11 1.091 109.946 -64.34 0.0000
17 C6 Cg 3 15 13 11 1.541 110.532 56.44 0.3680
18 H6E H1 E 17 15 13 1.090 110.023 -172.59 0.0000
19 H6A H1 E 17 15 13 1.091 109.951 68.78 0.0000
20 O6 Os E 17 15 13 1.489 111.422 -51.66 -0.5040
21 O5 Oh S 15 13 11 1.453 109.662 176.22 -0.6990
22 H5O Ho E 21 15 13 0.965 108.090 56.66 0.4190
23 O4 Oh S 13 11 5 1.460 109.496 -177.99 -0.6720
24 H4O Ho E 23 13 11 0.964 109.388 -81.32 0.4130
25 O3 Oh S 11 5 4 1.458 110.234 172.89 -0.6540
26 H3O Ho E 25 11 5 0.966 107.634 165.84 0.4250
LOOP
O6 C2
DONE
2JB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 22.294 99.485 -134.03 -0.3880
5 C2 Cg B 4 3 2 1.432 135.531 -66.48 0.4130
6 O6 Os S 5 4 3 1.484 106.311 -144.31 -0.5510
7 C6 Cg 3 6 5 4 1.484 117.065 -173.89 0.2920
8 H6E H1 E 7 6 5 1.090 109.046 175.12 0.0000
9 H6A H1 E 7 6 5 1.091 108.728 -67.49 0.0000
10 C5 Cg 3 7 6 5 1.547 111.063 53.76 0.3740
11 H5 H1 E 10 7 6 1.091 108.987 71.66 0.0000
12 O5 Oh S 10 7 6 1.455 109.300 -169.66 -0.7290
13 H5O Ho E 12 10 7 0.962 111.074 52.54 0.4260
14 C4 Cg 3 10 7 6 1.550 111.895 -49.63 0.1550
15 H4 H1 E 14 10 7 1.090 108.402 -67.51 0.0000
16 O4 Oh S 14 10 7 1.459 110.935 175.25 -0.6840
17 H4O Ho E 16 14 10 0.968 109.165 45.21 0.4380
18 C3 Cg B 14 10 7 1.551 111.966 52.01 0.3630
19 H3 H1 E 18 14 10 1.091 109.562 -175.27 0.0000
20 O3 Oh S 18 14 10 1.461 107.359 67.28 -0.7250
21 H3O Ho E 20 18 14 0.967 106.570 50.21 0.4320
22 C1 Cg 3 5 4 3 1.565 107.007 -23.92 0.2800
23 H12 H1 E 22 5 4 1.091 109.821 50.15 0.0000
24 H11 H1 E 22 5 4 1.089 110.419 168.28 0.0000
25 O1 Oh S 22 5 4 1.444 112.820 -71.30 -0.7220
26 H1O Ho E 25 22 5 0.965 107.671 41.74 0.4320
LOOP
C3 C2
DONE
2JD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 22.510 99.897 -134.58 -0.3880
5 C2 Cg B 4 3 2 1.437 59.212 75.19 0.1920
6 C1 Cg 3 5 4 3 1.554 109.050 6.21 0.3890
7 H12 H1 E 6 5 4 1.091 109.769 -62.44 0.0000
8 H11 H1 E 6 5 4 1.091 110.219 56.55 0.0000
9 O1 Oh S 6 5 4 1.438 111.155 177.27 -0.6540
10 H1O Ho E 9 6 5 0.969 105.999 50.29 0.3800
11 C3 Cg 3 5 4 3 1.637 107.339 -121.89 0.3930
12 H3 H1 E 11 5 4 1.091 112.376 27.80 0.0000
13 C4 Cg 3 11 5 4 1.642 105.965 -93.68 0.2330
14 H4 H1 E 13 11 5 1.090 107.367 95.04 0.0000
15 C5 Cg 3 13 11 5 1.625 107.375 -19.81 0.1900
16 H5 H1 E 15 13 11 1.091 108.940 130.16 0.0000
17 C6 Cg 3 15 13 11 1.542 114.908 -106.54 0.3400
18 H62 H1 E 17 15 13 1.090 110.250 66.65 0.0000
19 H61 H1 E 17 15 13 1.090 110.186 -52.85 0.0000
20 O6 Oh S 17 15 13 1.441 110.517 -172.30 -0.7250
21 H6O Ho E 20 17 15 0.959 110.296 58.30 0.4250
22 O5 Os E 15 13 11 1.585 104.597 13.44 -0.4100
23 O4 Oh S 13 11 5 1.458 113.311 -146.22 -0.6710
24 H4O Ho E 23 13 11 0.965 110.086 -102.72 0.4140
25 O3 Oh S 11 5 4 1.455 110.333 149.74 -0.7480
26 H3O Ho E 25 11 5 0.969 106.278 138.38 0.4460
LOOP
O5 C2
DONE
2JU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 23.068 98.904 -133.33 -0.3880
5 C2 Cg B 4 3 2 1.442 114.405 -83.50 0.3510
6 O5 Os S 5 4 3 1.569 109.345 -139.13 -0.3890
7 C5 Cg 3 6 5 4 1.585 113.364 -123.61 0.1000
8 H5 H1 E 7 6 5 1.089 109.200 -122.53 0.0000
9 C6 Cg 3 7 6 5 1.537 108.498 118.12 0.3490
10 H62 H1 E 9 7 6 1.089 110.316 -54.99 0.0000
11 H61 H1 E 9 7 6 1.090 111.054 -175.70 0.0000
12 O6 Oh S 9 7 6 1.435 108.026 64.54 -0.6840
13 H6O Ho E 12 9 7 0.962 107.568 -44.32 0.4110
14 C4 Cg 3 7 6 5 1.619 104.895 -5.59 0.2840
15 H4 H1 E 14 7 6 1.091 107.554 -103.32 0.0000
16 O4 Oh S 14 7 6 1.442 113.035 137.27 -0.6570
17 H4O Ho E 16 14 7 0.969 105.977 -113.16 0.4100
18 C3 Cg B 14 7 6 1.639 107.844 12.75 0.2230
19 H3 H1 E 18 14 7 1.090 110.597 -136.61 0.0000
20 O3 Oh S 18 14 7 1.460 109.186 103.85 -0.6710
21 H3O Ho E 20 18 14 0.971 106.808 -128.68 0.4160
22 C1 Cg 3 5 4 3 1.554 109.500 -18.41 0.3330
23 H12 H1 E 22 5 4 1.090 110.121 61.30 0.0000
24 H11 H1 E 22 5 4 1.090 109.574 179.89 0.0000
25 O1 Oh S 22 5 4 1.448 111.622 -59.75 -0.6970
26 H1O Ho E 25 22 5 0.961 109.656 -173.81 0.4150
LOOP
C3 C2
DONE
2KA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 C3 Cg 3 6 4 3 1.544 115.219 178.76 0.3540
9 H3 H1 E 8 6 4 1.091 109.846 -171.16 0.0000
10 C4 Cg 3 8 6 4 1.541 111.196 -48.97 0.1960
11 H4 H1 E 10 8 6 1.091 109.723 170.85 0.0000
12 C5 Cg 3 10 8 6 1.549 113.058 48.50 0.3010
13 H5 H1 E 12 10 8 1.092 107.347 66.38 0.0000
14 C6 Cg 3 12 10 8 1.535 114.885 -173.99 0.2870
15 H62 H1 E 14 12 10 1.090 110.246 -52.70 0.0000
16 H61 H1 E 14 12 10 1.091 110.887 67.51 0.0000
17 O6 Oh S 14 12 10 1.434 108.908 -172.15 -0.6910
18 H6O Ho E 17 14 12 0.960 109.471 59.53 0.4220
19 O5 Os E 12 10 8 1.489 109.902 -50.90 -0.5400
20 O4 Oh S 10 8 6 1.440 107.338 -72.13 -0.7120
21 H4O Ho E 20 10 8 0.960 109.466 -178.56 0.4200
22 O3 Oh S 8 6 4 1.440 110.218 69.79 -0.7440
23 H3O Ho E 22 8 6 0.960 109.437 59.70 0.4360
24 O2 Os M 6 4 3 1.439 110.808 -54.40 -0.4830
LOOP
O5 C1
DONE
2KB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Oh S 9 7 6 1.441 110.162 62.18 -0.6700
13 H6O Ho E 12 9 7 0.962 108.273 -57.74 0.4160
14 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
15 H4 H1 E 14 7 6 1.091 108.867 -172.31 0.0000
16 O4 Oh S 14 7 6 1.455 110.952 69.39 -0.7000
17 H4O Ho E 16 14 7 0.964 110.377 163.16 0.4250
18 C3 Cg M 14 7 6 1.545 111.117 -51.77 0.2530
19 H3 H1 E 18 14 7 1.091 109.391 173.95 0.0000
20 O3 Oh S 18 14 7 1.452 107.992 -68.85 -0.7100
21 H3O Ho E 20 18 14 0.968 107.267 175.38 0.4420
22 C2 Cg M 18 14 7 1.547 111.988 52.75 0.3080
23 H2 H1 E 22 18 14 1.091 108.509 65.85 0.0000
24 O2 Os M 22 18 14 1.462 109.337 -176.76 -0.4780
LOOP
C2 C1
DONE
2LA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 C3 Cg 3 6 4 3 1.541 112.432 -178.15 0.2530
9 H3 H1 E 8 6 4 1.091 109.206 67.02 0.0000
10 C4 Cg 3 8 6 4 1.544 111.714 -53.08 0.2040
11 H4 H1 E 10 8 6 1.091 109.766 175.51 0.0000
12 C5 Cg 3 10 8 6 1.544 110.422 54.48 0.2160
13 H5 H1 E 12 10 8 1.092 107.514 62.91 0.0000
14 C6 Cg 3 12 10 8 1.535 114.934 -177.18 0.3080
15 H62 H1 E 14 12 10 1.090 110.251 -53.15 0.0000
16 H61 H1 E 14 12 10 1.091 110.918 67.08 0.0000
17 O6 Oh S 14 12 10 1.434 108.858 -172.60 -0.6840
18 H6O Ho E 17 14 12 0.960 109.466 59.52 0.4180
19 O5 Os E 12 10 8 1.490 109.289 -54.45 -0.5270
20 O4 Oh S 10 8 6 1.445 109.785 -64.95 -0.6730
21 H4O Ho E 20 10 8 0.960 109.470 179.80 0.4360
22 O3 Oh S 8 6 4 1.440 110.035 -174.48 -0.7010
23 H3O Ho E 22 8 6 0.960 109.438 -57.69 0.4330
24 O2 Os M 6 4 3 1.440 109.403 -55.56 -0.4870
LOOP
O5 C1
DONE
2LB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Oh S 9 7 6 1.437 109.027 63.12 -0.6930
13 H6O Ho E 12 9 7 0.961 107.830 -58.33 0.4190
14 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
15 H4 H1 E 14 7 6 1.091 109.333 -173.92 0.0000
16 O4 Oh S 14 7 6 1.449 109.628 67.34 -0.6640
17 H4O Ho E 16 14 7 0.967 107.158 -172.89 0.4370
18 C3 Cg M 14 7 6 1.546 110.517 -53.62 0.2590
19 H3 H1 E 18 14 7 1.092 108.098 -64.81 0.0000
20 O3 Oh S 18 14 7 1.455 109.126 178.29 -0.6940
21 H3O Ho E 20 18 14 0.967 107.449 -176.92 0.4330
22 C2 Cg M 18 14 7 1.547 112.254 55.04 0.3570
23 H2 H1 E 22 18 14 1.092 109.716 67.43 0.0000
24 O2 Os M 22 18 14 1.459 108.705 -173.71 -0.4880
LOOP
C2 C1
DONE
2MA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 C3 Cg 3 6 4 3 1.545 110.571 -158.93 0.2520
9 H3 H1 E 8 6 4 1.092 108.528 64.93 0.0000
10 C4 Cg 3 8 6 4 1.549 111.609 -54.79 0.3260
11 H4 H1 E 10 8 6 1.091 109.865 -64.38 0.0000
12 C5 Cg 3 10 8 6 1.546 110.605 57.15 0.2760
13 H5 H1 E 12 10 8 1.092 108.214 65.71 0.0000
14 C6 Cg 3 12 10 8 1.544 112.153 -174.59 0.2660
15 H62 H1 E 14 12 10 1.090 110.579 -46.84 0.0000
16 H61 H1 E 14 12 10 1.091 110.051 72.33 0.0000
17 O6 Oh S 14 12 10 1.444 110.952 -166.67 -0.6880
18 H6O Ho E 17 14 12 0.960 109.923 72.72 0.4220
19 O5 Os E 12 10 8 1.497 110.394 -52.31 -0.5070
20 O4 Oh S 10 8 6 1.452 108.734 176.59 -0.7330
21 H4O Ho E 20 10 8 0.966 107.267 52.91 0.4380
22 O3 Oh S 8 6 4 1.461 109.595 -177.93 -0.6960
23 H3O Ho E 22 8 6 0.964 109.699 -74.81 0.4310
24 O2 Os M 6 4 3 1.459 110.007 79.71 -0.4650
LOOP
O5 C1
DONE
2MB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Oh S 9 7 6 1.439 109.850 57.44 -0.6800
13 H6O Ho E 12 9 7 0.962 108.414 -55.86 0.4190
14 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
15 H4 H1 E 14 7 6 1.091 109.789 70.94 0.0000
16 O4 Oh S 14 7 6 1.452 108.352 -170.58 -0.7460
17 H4O Ho E 16 14 7 0.963 108.380 -159.72 0.4430
18 C3 Cg M 14 7 6 1.553 110.419 -50.51 0.2630
19 H3 H1 E 18 14 7 1.092 108.588 -60.79 0.0000
20 O3 Oh S 18 14 7 1.457 111.995 -178.50 -0.6920
21 H3O Ho E 20 18 14 0.962 109.624 81.59 0.4300
22 C2 Cg M 18 14 7 1.547 110.623 57.43 0.2410
23 H2 H1 E 22 18 14 1.091 110.076 180.00 0.0000
24 O2 Os M 22 18 14 1.459 110.769 59.28 -0.4270
LOOP
C2 C1
DONE
2NA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 C3 Cg 3 6 4 3 1.541 114.996 179.46 0.3300
9 H3 H1 E 8 6 4 1.091 109.966 -173.17 0.0000
10 C4 Cg 3 8 6 4 1.543 108.602 -52.73 0.1670
11 H4 H1 E 10 8 6 1.091 108.011 -66.83 0.0000
12 C5 Cg 3 10 8 6 1.545 113.659 53.52 0.4040
13 H5 H1 E 12 10 8 1.092 109.059 65.09 0.0000
14 C6 Cg 3 12 10 8 1.535 113.747 -172.97 0.2800
15 H62 H1 E 14 12 10 1.090 110.540 -56.41 0.0000
16 H61 H1 E 14 12 10 1.091 110.668 63.75 0.0000
17 O6 Oh S 14 12 10 1.434 109.011 -175.88 -0.6630
18 H6O Ho E 17 14 12 0.960 109.493 59.88 0.3960
19 O5 Os E 12 10 8 1.489 108.589 -53.11 -0.6110
20 O4 Oh S 10 8 6 1.439 109.206 176.30 -0.7330
21 H4O Ho E 20 10 8 0.960 109.442 -63.39 0.4440
22 O3 Oh S 8 6 4 1.445 109.604 67.22 -0.7140
23 H3O Ho E 22 8 6 0.960 109.446 176.58 0.4410
24 O2 Os M 6 4 3 1.439 110.664 -54.19 -0.4470
LOOP
O5 C1
DONE
2NB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Oh S 9 7 6 1.438 109.178 57.79 -0.6890
13 H6O Ho E 12 9 7 0.962 107.694 -47.58 0.4180
14 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
15 H4 H1 E 14 7 6 1.091 108.641 63.49 0.0000
16 O4 Oh S 14 7 6 1.447 110.674 -178.31 -0.7070
17 H4O Ho E 16 14 7 0.966 108.053 84.25 0.4300
18 C3 Cg M 14 7 6 1.546 111.303 -56.16 0.2340
19 H3 H1 E 18 14 7 1.092 109.685 177.82 0.0000
20 O3 Oh S 18 14 7 1.458 109.719 -63.09 -0.6150
21 H3O Ho E 20 18 14 0.967 107.516 169.04 0.3890
22 C2 Cg M 18 14 7 1.544 109.920 57.50 0.3010
23 H2 H1 E 22 18 14 1.093 108.226 64.66 0.0000
24 O2 Os M 22 18 14 1.458 109.185 -178.16 -0.4730
LOOP
C2 C1
DONE
2OA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.395 99.023 -130.46 0.3050
5 H1 H2 E 4 3 2 1.090 24.072 100.29 0.0000
6 C2 Cg M 4 3 2 1.563 111.265 10.63 0.4130
7 H2 H1 E 6 4 3 1.091 108.988 73.46 0.0000
8 C3 Cg 3 6 4 3 1.548 110.939 -166.09 0.2510
9 H3 H1 E 8 6 4 1.092 108.206 62.18 0.0000
10 C4 Cg 3 8 6 4 1.551 110.284 -55.76 0.2670
11 H4 H1 E 10 8 6 1.091 109.469 -178.62 0.0000
12 C5 Cg 3 10 8 6 1.540 109.735 61.11 0.0540
13 H5 H1 E 12 10 8 1.092 108.800 60.69 0.0000
14 C6 C B 12 10 8 1.566 106.527 176.50 0.8960
15 O6A O2 E 14 12 10 1.252 116.529 -102.85 -0.8220
16 O6B O2 E 14 12 10 1.255 117.285 72.11 -0.8220
17 O5 Os E 12 10 8 1.515 109.060 -56.67 -0.4240
18 O4 Oh S 10 8 6 1.455 111.597 -58.02 -0.7040
19 H4O Ho E 18 10 8 0.981 106.629 154.94 0.4290
20 O3 Oh S 8 6 4 1.460 111.666 179.27 -0.7250
21 H3O Ho E 20 8 6 0.964 107.278 -33.23 0.4160
22 O2 Os M 6 4 3 1.464 109.237 -44.39 -0.5340
LOOP
O5 C1
DONE
2OB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.376 98.399 -136.27 0.3010
5 H1 H2 E 4 3 2 1.091 69.069 -92.25 0.0000
6 O5 Os M 4 3 2 1.462 130.396 170.60 -0.4140
7 C5 Cg M 6 4 3 1.506 116.408 147.12 0.0490
8 H5 H1 E 7 6 4 1.092 106.456 -59.37 0.0000
9 C6 C B 7 6 4 1.574 118.473 -176.63 0.8380
10 O6B O2 E 9 7 6 1.256 116.247 -176.00 -0.7940
11 O6A O2 E 9 7 6 1.254 118.706 9.49 -0.7940
12 C4 Cg M 7 6 4 1.538 109.239 56.00 0.2600
13 H4 H1 E 12 7 6 1.091 109.884 -175.27 0.0000
14 O4 Oh S 12 7 6 1.450 109.662 65.53 -0.6610
15 H4O Ho E 14 12 7 0.961 107.547 -173.76 0.4020
16 C3 Cg M 12 7 6 1.548 110.856 -55.41 0.2590
17 H3 H1 E 16 12 7 1.092 108.063 -63.15 0.0000
18 O3 Oh S 16 12 7 1.466 108.667 -179.51 -0.7080
19 H3O Ho E 18 16 12 0.961 109.065 79.16 0.4040
20 C2 Cg M 16 12 7 1.553 111.733 55.81 0.3830
21 H2 H1 E 20 16 12 1.091 109.497 69.57 0.0000
22 O2 Os M 20 16 12 1.460 110.302 -170.66 -0.5250
LOOP
C2 C1
DONE
2PA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 25.679 81.482 -135.58 -0.3880
5 C2 Cg B 4 3 2 1.441 84.334 41.09 0.4170
6 C1 Cg 3 5 4 3 1.541 105.286 22.95 0.3270
7 H12 H1 E 6 5 4 1.091 110.581 -61.43 0.0000
8 H11 H1 E 6 5 4 1.091 110.426 58.16 0.0000
9 O1 Oh S 6 5 4 1.436 110.176 178.22 -0.6440
10 H1O Ho E 9 6 5 0.960 109.427 60.11 0.3930
11 C3 Cg 3 5 4 3 1.558 109.931 -101.40 0.1500
12 H3 H1 E 11 5 4 1.091 107.175 170.62 0.0000
13 C4 Cg 3 11 5 4 1.543 115.259 -71.57 0.3940
14 H4 H1 E 13 11 5 1.091 110.047 -172.55 0.0000
15 C5 Cg 3 13 11 5 1.541 108.511 -52.13 0.1530
16 H5 H1 E 15 13 11 1.091 108.437 -65.69 0.0000
17 C6 Cg 3 15 13 11 1.536 113.177 54.52 0.3930
18 H6E H1 E 17 15 13 1.090 110.388 -174.85 0.0000
19 H6A H1 E 17 15 13 1.091 110.767 65.28 0.0000
20 O6 Os E 17 15 13 1.482 109.077 -55.00 -0.5980
21 O5 Oh S 15 13 11 1.437 110.081 176.63 -0.6930
22 H5O Ho E 21 15 13 0.960 109.495 56.94 0.4280
23 O4 Oh S 13 11 5 1.445 109.700 67.72 -0.7020
24 H4O Ho E 23 13 11 0.960 109.435 60.08 0.4320
25 O3 Oh S 11 5 4 1.441 111.232 54.69 -0.6650
26 H3O Ho E 25 11 5 0.960 109.411 -63.14 0.4090
LOOP
O6 C2
DONE
2PB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 22.478 98.907 -133.55 -0.3880
5 C2 Cg B 4 3 2 1.428 129.377 -77.23 0.4070
6 O6 Os S 5 4 3 1.479 105.014 -138.52 -0.5400
7 C6 Cg 3 6 5 4 1.483 117.190 -168.90 0.3640
8 H6E H1 E 7 6 5 1.090 109.004 179.12 0.0000
9 H6A H1 E 7 6 5 1.091 109.618 -62.69 0.0000
10 C5 Cg 3 7 6 5 1.540 108.996 58.93 0.1880
11 H5 H1 E 10 7 6 1.091 108.080 63.62 0.0000
12 O5 Oh S 10 7 6 1.454 110.659 -178.62 -0.7050
13 H5O Ho E 12 10 7 0.967 108.400 85.69 0.4330
14 C4 Cg 3 10 7 6 1.546 111.137 -55.37 0.3280
15 H4 H1 E 14 10 7 1.091 109.097 173.70 0.0000
16 O4 Oh S 14 10 7 1.453 109.563 -68.11 -0.6980
17 H4O Ho E 16 14 10 0.967 106.113 178.47 0.4270
18 C3 Cg B 14 10 7 1.548 111.648 53.12 0.1800
19 H3 H1 E 18 14 10 1.092 106.115 68.15 0.0000
20 O3 Oh S 18 14 10 1.462 110.163 -176.47 -0.6810
21 H3O Ho E 20 18 14 0.967 108.335 -167.48 0.4220
22 C1 Cg 3 5 4 3 1.572 108.289 -18.83 0.3790
23 H12 H1 E 22 5 4 1.091 110.003 59.17 0.0000
24 H11 H1 E 22 5 4 1.088 110.382 177.73 0.0000
25 O1 Oh S 22 5 4 1.452 112.720 -61.98 -0.7200
26 H1O Ho E 25 22 5 0.961 109.403 -178.93 0.4100
LOOP
C3 C2
DONE
2PD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 25.943 81.496 -135.92 -0.3880
5 C2 Cg B 4 3 2 1.437 43.630 40.16 0.3240
6 C1 Cg 3 5 4 3 1.533 107.381 10.09 0.2860
7 H12 H1 E 6 5 4 1.091 110.436 -64.01 0.0000
8 H11 H1 E 6 5 4 1.091 110.553 56.02 0.0000
9 O1 Oh S 6 5 4 1.434 109.386 175.91 -0.6910
10 H1O Ho E 9 6 5 0.960 109.478 179.30 0.4190
11 C3 Cg 3 5 4 3 1.632 109.019 -116.95 0.3340
12 H3 H1 E 11 5 4 1.090 107.716 147.07 0.0000
13 C4 Cg 3 11 5 4 1.629 107.129 -98.62 0.2820
14 H4 H1 E 13 11 5 1.091 111.828 -141.87 0.0000
15 C5 Cg 3 13 11 5 1.626 106.867 -18.01 0.1940
16 H5 H1 E 15 13 11 1.092 111.109 129.12 0.0000
17 C6 Cg 3 15 13 11 1.529 112.801 -107.47 0.2910
18 H62 H1 E 17 15 13 1.091 110.695 60.83 0.0000
19 H61 H1 E 17 15 13 1.090 110.281 -59.44 0.0000
20 O6 Oh S 17 15 13 1.433 108.604 -178.96 -0.6950
21 H6O Ho E 20 17 15 0.960 109.454 59.02 0.4110
22 O5 Os E 15 13 11 1.580 105.532 10.85 -0.4530
23 O4 Oh S 13 11 5 1.437 109.593 96.29 -0.6830
24 H4O Ho E 23 13 11 0.960 109.464 62.85 0.4210
25 O3 Oh S 11 5 4 1.441 114.290 28.25 -0.6610
26 H3O Ho E 25 11 5 0.960 109.502 178.91 0.4150
LOOP
O5 C2
DONE
2PU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 26.138 80.574 -135.32 -0.3880
5 C2 Cg B 4 3 2 1.437 126.507 -112.33 0.2880
6 O5 Os S 5 4 3 1.576 111.558 -156.31 -0.4800
7 C5 Cg 3 6 5 4 1.576 112.884 -112.61 0.3690
8 H5 H1 E 7 6 5 1.092 109.275 -128.49 0.0000
9 C6 Cg 3 7 6 5 1.529 108.414 112.31 0.2150
10 H62 H1 E 9 7 6 1.091 110.659 -56.54 0.0000
11 H61 H1 E 9 7 6 1.090 110.301 -176.80 0.0000
12 O6 Oh S 9 7 6 1.433 108.649 63.62 -0.6780
13 H6O Ho E 12 9 7 0.960 109.500 58.51 0.4210
14 C4 Cg 3 7 6 5 1.623 105.494 -8.76 0.1920
15 H4 H1 E 14 7 6 1.091 112.074 133.66 0.0000
16 O4 Oh S 14 7 6 1.438 106.122 -107.17 -0.7110
17 H4O Ho E 16 14 7 0.960 109.445 -63.95 0.4380
18 C3 Cg B 14 7 6 1.631 107.338 11.41 0.3340
19 H3 H1 E 18 14 7 1.091 107.070 107.51 0.0000
20 O3 Oh S 18 14 7 1.441 112.809 -134.73 -0.7140
21 H3O Ho E 20 18 14 0.960 109.493 -55.92 0.4240
22 C1 Cg 3 5 4 3 1.541 107.882 -37.12 0.3650
23 H12 H1 E 22 5 4 1.091 110.660 54.05 0.0000
24 H11 H1 E 22 5 4 1.090 109.918 173.46 0.0000
25 O1 Oh S 22 5 4 1.437 110.203 -66.84 -0.6870
26 H1O Ho E 25 22 5 0.960 109.513 179.45 0.4180
LOOP
C3 C2
DONE
2QA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.541 98.563 -135.84 0.4650
5 H1 H1 E 4 3 2 1.090 143.841 166.97 0.0000
6 C2 Cg M 4 3 2 1.556 100.905 19.24 0.2810
7 H2 H1 E 6 4 3 1.091 107.701 -146.56 0.0000
8 C3 Cg 3 6 4 3 1.550 110.755 -28.22 0.3120
9 H3 H1 E 8 6 4 1.092 109.248 69.54 0.0000
10 C4 Cg 3 8 6 4 1.550 112.115 -52.01 0.2080
11 H4 H1 E 10 8 6 1.092 109.113 -67.92 0.0000
12 C5 Cg 3 10 8 6 1.546 111.848 52.85 0.2340
13 H5 H1 E 12 10 8 1.092 108.966 67.39 0.0000
14 C6 Cg 3 12 10 8 1.531 114.081 -171.50 0.0600
15 H63 Hc E 14 12 10 1.091 111.703 58.97 0.0000
16 H62 Hc E 14 12 10 1.091 111.508 -61.39 0.0000
17 H61 Hc E 14 12 10 1.091 111.279 179.14 0.0000
18 O5 Os E 12 10 8 1.487 110.112 -51.22 -0.5590
19 O4 Oh S 10 8 6 1.456 109.169 173.44 -0.6640
20 H4O Ho E 19 10 8 0.963 110.329 161.22 0.4030
21 O3 Oh S 8 6 4 1.451 110.060 -171.22 -0.6970
22 H3O Ho E 21 8 6 0.963 107.525 178.74 0.4240
23 O2 Os M 6 4 3 1.464 109.956 96.40 -0.4670
LOOP
O5 C1
DONE
2QB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.690 -136.00 0.3910
5 H1 H1 E 4 3 2 1.091 73.758 -94.90 0.0000
6 O5 Os M 4 3 2 1.461 131.794 163.13 -0.5350
7 C5 Cg M 6 4 3 1.486 115.375 148.89 0.2710
8 H5 H1 E 7 6 4 1.092 108.323 -60.93 0.0000
9 C6 Cg 3 7 6 4 1.530 107.192 -177.83 0.0480
10 H63 Hc E 9 7 6 1.091 111.710 -62.84 0.0000
11 H62 Hc E 9 7 6 1.091 111.509 176.79 0.0000
12 H61 Hc E 9 7 6 1.091 111.262 57.32 0.0000
13 C4 Cg M 7 6 4 1.548 109.336 58.05 0.2500
14 H4 H1 E 13 7 6 1.092 109.232 68.58 0.0000
15 O4 Oh S 13 7 6 1.451 108.892 -172.72 -0.7130
16 H4O Ho E 15 13 7 0.966 107.748 175.11 0.4210
17 C3 Cg M 13 7 6 1.549 111.410 -52.29 0.3000
18 H3 H1 E 17 13 7 1.092 108.988 -68.86 0.0000
19 O3 Oh S 17 13 7 1.454 108.773 173.08 -0.6890
20 H3O Ho E 19 17 13 0.966 107.391 -175.24 0.4200
21 C2 Cg M 17 13 7 1.546 112.577 52.00 0.3230
22 H2 H1 E 21 17 13 1.092 109.469 68.14 0.0000
23 O2 Os M 21 17 13 1.460 109.130 -172.95 -0.4870
LOOP
C2 C1
DONE
2RA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.589 79.139 -133.47 0.4880
5 H1 H2 E 4 3 2 1.090 27.374 95.92 0.0000
6 C2 Cg M 4 3 2 1.547 95.699 -25.09 0.2530
7 H2 H1 E 6 4 3 1.091 106.529 74.90 0.0000
8 C3 Cg 3 6 4 3 1.542 115.155 -166.91 0.3450
9 H3 H1 E 8 6 4 1.091 110.101 -172.87 0.0000
10 C4 Cg 3 8 6 4 1.542 108.334 -52.41 0.1220
11 H4 H1 E 10 8 6 1.091 108.377 -66.41 0.0000
12 C5 Cg 3 10 8 6 1.537 113.340 53.79 0.3770
13 H5E H1 E 12 10 8 1.090 110.366 -174.24 0.0000
14 H5A H1 E 12 10 8 1.091 110.701 65.98 0.0000
15 O5 Os E 12 10 8 1.483 109.246 -54.31 -0.5610
16 O4 Oh S 10 8 6 1.437 110.093 175.95 -0.6630
17 H4O Ho E 16 10 8 0.960 109.433 -63.23 0.4190
18 O3 Oh S 8 6 4 1.445 109.646 67.35 -0.7370
19 H3O Ho E 18 8 6 0.960 109.441 178.00 0.4430
20 O2 Os M 6 4 3 1.439 110.676 -40.46 -0.4860
LOOP
O5 C1
DONE
2RB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.373 98.520 -136.09 0.4810
5 H1 H2 E 4 3 2 1.090 64.264 -93.14 0.0000
6 O5 Os M 4 3 2 1.470 130.910 172.20 -0.5760
7 C5 Cg M 6 4 3 1.488 115.378 141.01 0.3350
8 H5E H1 E 7 6 4 1.090 108.921 174.98 0.0000
9 H5A H1 E 7 6 4 1.091 109.218 -67.32 0.0000
10 C4 Cg M 7 6 4 1.549 109.926 54.38 0.2360
11 H4 H1 E 10 7 6 1.091 108.456 64.34 0.0000
12 O4 Oh S 10 7 6 1.453 110.505 -177.82 -0.6950
13 H4O Ho E 12 10 7 0.963 110.348 -165.05 0.4110
14 C3 Cg M 10 7 6 1.548 110.878 -55.20 0.2030
15 H3 H1 E 14 10 7 1.091 109.669 178.81 0.0000
16 O3 Oh S 14 10 7 1.460 108.674 -62.27 -0.6960
17 H3O Ho E 16 14 10 0.965 108.989 -56.44 0.4280
18 C2 Cg M 14 10 7 1.550 108.635 58.91 0.3850
19 H2 H1 E 18 14 10 1.092 108.039 58.75 0.0000
20 O2 Os M 18 14 10 1.459 111.068 175.70 -0.5120
LOOP
C2 C1
DONE
2RD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 21.697 99.148 -131.21 0.4450
5 H1 H2 E 4 3 2 1.090 4.631 -133.95 0.0000
6 C2 Cg M 4 3 2 1.639 108.788 16.92 0.3180
7 H2 H1 E 6 4 3 1.090 106.253 24.71 0.0000
8 C3 Cg 3 6 4 3 1.641 106.653 138.14 0.2750
9 H3 H1 E 8 6 4 1.090 110.829 -140.13 0.0000
10 C4 Cg 3 8 6 4 1.627 107.074 -17.90 0.3270
11 H4 H1 E 10 8 6 1.091 110.687 126.58 0.0000
12 C5 Cg 3 10 8 6 1.540 111.841 -110.98 0.1950
13 H52 H1 E 12 10 8 1.090 109.854 62.87 0.0000
14 H51 H1 E 12 10 8 1.090 109.790 -55.87 0.0000
15 O5 Oh S 12 10 8 1.441 111.480 -176.24 -0.6670
16 H5O Ho E 15 12 10 0.961 110.927 63.80 0.4080
17 O4 Os E 10 8 6 1.590 104.801 9.06 -0.5130
18 O3 Oh S 8 6 4 1.452 110.052 99.39 -0.7390
19 H3O Ho E 18 8 6 0.969 108.678 -13.86 0.4380
20 O2 Os M 6 4 3 1.461 116.185 -94.11 -0.4870
LOOP
O4 C1
DONE
2RU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.636 98.718 -136.21 0.3780
5 H1 H1 E 4 3 2 1.091 92.407 -91.72 0.0000
6 O4 Os M 4 3 2 1.557 127.421 149.85 -0.4240
7 C4 Cg M 6 4 3 1.587 113.195 -122.12 0.1020
8 H4 H1 E 7 6 4 1.091 108.133 -112.74 0.0000
9 C5 Cg 3 7 6 4 1.534 111.781 126.34 0.3380
10 H52 H1 E 9 7 6 1.090 110.006 -172.13 0.0000
11 H51 H1 E 9 7 6 1.090 110.394 -52.52 0.0000
12 O5 Oh S 9 7 6 1.436 109.887 68.16 -0.6920
13 H5O Ho E 12 9 7 0.959 109.586 178.63 0.4150
14 C3 Cg M 7 6 4 1.616 104.949 4.12 0.2890
15 H3 H1 E 14 7 6 1.091 109.320 105.86 0.0000
16 O3 Oh S 14 7 6 1.443 110.518 -134.81 -0.6830
17 H3O Ho E 16 14 7 0.968 106.484 98.07 0.4280
18 C2 Cg M 14 7 6 1.643 107.735 -11.40 0.2930
19 H2 H1 E 18 14 7 1.091 110.396 135.88 0.0000
20 O2 Os M 18 14 7 1.462 110.605 -103.78 -0.4440
LOOP
C2 C1
DONE
2TA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 C3 Cg 3 6 4 3 1.545 112.024 178.31 0.1240
9 H3 H1 E 8 6 4 1.091 106.708 69.61 0.0000
10 C4 Cg 3 8 6 4 1.543 114.910 -48.48 0.4340
11 H4 H1 E 10 8 6 1.091 109.633 172.69 0.0000
12 C5 Cg 3 10 8 6 1.544 109.739 52.34 0.1570
13 H5 H1 E 12 10 8 1.092 107.463 63.77 0.0000
14 C6 Cg 3 12 10 8 1.535 114.896 -176.35 0.3040
15 H62 H1 E 14 12 10 1.090 110.263 -52.86 0.0000
16 H61 H1 E 14 12 10 1.091 110.896 67.37 0.0000
17 O6 Oh S 14 12 10 1.434 108.863 -172.31 -0.6690
18 H6O Ho E 17 14 12 0.960 109.462 59.57 0.4010
19 O5 Os E 12 10 8 1.488 109.541 -53.52 -0.4800
20 O4 Oh S 10 8 6 1.443 110.261 -67.82 -0.7310
21 H4O Ho E 20 10 8 0.960 109.459 -179.88 0.4170
22 O3 Oh S 8 6 4 1.439 110.774 -174.86 -0.6870
23 H3O Ho E 22 8 6 0.960 109.479 -54.69 0.4420
24 O2 Os M 6 4 3 1.440 106.453 57.61 -0.4130
LOOP
O5 C1
DONE
2TB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Oh S 9 7 6 1.434 108.837 64.00 -0.6660
13 H6O Ho E 12 9 7 0.960 109.430 -59.34 0.4060
14 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
15 H4 H1 E 14 7 6 1.091 109.475 -172.25 0.0000
16 O4 Oh S 14 7 6 1.443 108.917 69.31 -0.6260
17 H4O Ho E 16 14 7 0.960 109.455 59.28 0.4130
18 C3 Cg M 14 7 6 1.547 110.218 -51.66 0.1740
19 H3 H1 E 18 14 7 1.091 106.762 -67.21 0.0000
20 O3 Oh S 18 14 7 1.439 110.707 177.22 -0.6780
21 H3O Ho E 20 18 14 0.960 109.373 -64.34 0.4250
22 C2 Cg M 18 14 7 1.545 114.890 50.96 0.3400
23 H2 H1 E 22 18 14 1.091 109.957 -172.30 0.0000
24 O2 Os M 22 18 14 1.444 109.766 67.90 -0.4340
LOOP
C2 C1
DONE
2TV INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.566 98.776 -135.85 0.4700
5 H1 H1 E 4 3 2 1.090 146.791 164.00 0.0000
6 C2 Cg M 4 3 2 1.563 96.446 20.88 0.1910
7 H2 H1 E 6 4 3 1.091 108.990 87.96 0.0000
8 C3 Cg 3 6 4 3 1.535 113.371 -33.59 -0.0140
9 H32 Hc E 8 6 4 1.093 108.757 71.70 0.0000
10 H31 Hc E 8 6 4 1.093 110.603 -172.97 0.0000
11 C4 Cg 3 8 6 4 1.535 111.168 -49.67 0.3020
12 H4 H1 E 11 8 6 1.091 109.450 -67.40 0.0000
13 C5 Cg 3 11 8 6 1.553 112.112 54.29 0.3010
14 H5 H1 E 13 11 8 1.092 108.905 64.83 0.0000
15 C6 Cg 3 13 11 8 1.530 113.975 -174.02 0.0070
16 H63 Hc E 15 13 11 1.091 111.485 -61.33 0.0000
17 H62 Hc E 15 13 11 1.091 111.681 59.00 0.0000
18 H61 Hc E 15 13 11 1.091 111.306 179.18 0.0000
19 O5 Os E 13 11 8 1.490 110.400 -53.80 -0.5160
20 O4 Oh S 11 8 6 1.446 106.980 175.05 -0.7390
21 H4O Ho E 20 11 8 0.961 109.446 60.50 0.4390
22 O2 Os M 6 4 3 1.451 110.808 -154.07 -0.4410
LOOP
O5 C1
DONE
2Tv INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 29.383 69.065 -149.02 0.4280
5 H1 H1 E 4 3 2 1.091 126.101 64.42 0.0000
6 O5 Os M 4 3 2 1.478 96.692 -54.47 -0.4960
7 C5 Cg M 6 4 3 1.481 115.346 -169.68 0.2710
8 H5 H1 E 7 6 4 1.092 108.331 -61.04 0.0000
9 C6 Cg 3 7 6 4 1.530 107.109 -178.07 0.0170
10 H63 Hc E 9 7 6 1.091 111.734 -62.25 0.0000
11 H62 Hc E 9 7 6 1.091 111.279 57.96 0.0000
12 H61 Hc E 9 7 6 1.091 111.431 177.43 0.0000
13 C4 Cg M 7 6 4 1.544 108.725 57.81 0.2960
14 H4 H1 E 13 7 6 1.091 109.448 70.86 0.0000
15 O4 Oh S 13 7 6 1.436 108.510 -170.47 -0.7290
16 H4O Ho E 15 13 7 0.960 109.450 -58.57 0.4250
17 C3 Cg M 13 7 6 1.542 113.120 -51.10 0.0070
18 H32 Hc E 17 13 7 1.093 110.063 -70.43 0.0000
19 H31 Hc E 17 13 7 1.092 110.313 173.67 0.0000
20 C2 Cg M 17 13 7 1.538 111.976 50.24 0.2080
21 H2 H1 E 20 17 13 1.091 109.586 -173.03 0.0000
22 O2 Os M 20 17 13 1.442 107.633 68.93 -0.4270
LOOP
C2 C1
DONE
2UA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.490 98.494 -135.80 0.3630
5 H1 H2 E 4 3 2 1.090 133.285 160.45 0.0000
6 C2 Cg M 4 3 2 1.559 106.137 19.27 0.2590
7 H2 H1 E 6 4 3 1.092 108.691 -14.77 0.0000
8 C3 Cg 3 6 4 3 1.555 110.585 -134.12 0.4170
9 H3 H1 E 8 6 4 1.092 108.809 -73.26 0.0000
10 C4 Cg 3 8 6 4 1.551 113.490 47.73 0.2230
11 H4 H1 E 10 8 6 1.092 108.495 63.78 0.0000
12 C5 Cg 3 10 8 6 1.541 110.331 -54.77 0.2320
13 H5 H1 E 12 10 8 1.091 107.517 172.11 0.0000
14 C6 C B 12 10 8 1.591 111.292 -72.79 0.6970
15 O6A O2 E 14 12 10 1.252 118.306 124.19 -0.7570
16 O6B O2 E 14 12 10 1.255 117.111 -52.87 -0.7570
17 O5 Os E 12 10 8 1.503 106.777 57.99 -0.5150
18 O4 Oh S 10 8 6 1.461 110.962 -178.03 -0.7110
19 H4O Ho E 18 10 8 0.984 107.477 94.04 0.3970
20 O3 Oh S 8 6 4 1.454 110.391 168.10 -0.7710
21 H3O Ho E 20 8 6 0.966 105.279 -166.24 0.4170
22 O2 Os M 6 4 3 1.469 109.784 103.84 -0.4940
LOOP
O5 C1
DONE
2UB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.486 98.866 -136.63 0.2780
5 H1 H2 E 4 3 2 1.090 81.785 -98.80 0.0000
6 O5 Os M 4 3 2 1.478 136.016 152.83 -0.4300
7 C5 Cg M 6 4 3 1.512 117.828 -89.26 0.1940
8 H5 H1 E 7 6 4 1.091 106.542 -169.54 0.0000
9 C6 C B 7 6 4 1.581 117.000 73.30 0.7500
10 O6B O2 E 9 7 6 1.255 117.682 -174.70 -0.7830
11 O6A O2 E 9 7 6 1.252 117.516 3.62 -0.7830
12 C4 Cg M 7 6 4 1.546 108.685 -54.23 0.3080
13 H4 H1 E 12 7 6 1.092 107.557 -65.54 0.0000
14 O4 Oh S 12 7 6 1.456 111.691 177.10 -0.7450
15 H4O Ho E 14 12 7 0.987 106.847 -27.71 0.4220
16 C3 Cg M 12 7 6 1.552 112.015 52.87 0.2860
17 H3 H1 E 16 12 7 1.091 109.935 64.98 0.0000
18 O3 Oh S 16 12 7 1.460 108.958 -175.86 -0.7550
19 H3O Ho E 18 16 12 0.968 105.498 -44.40 0.4210
20 C2 Cg M 16 12 7 1.545 109.635 -56.37 0.2890
21 H2 H1 E 20 16 12 1.091 107.746 -60.80 0.0000
22 O2 Os M 20 16 12 1.455 110.598 -177.09 -0.4520
LOOP
C2 C1
DONE
2XA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.552 98.376 -135.65 0.4820
5 H1 H2 E 4 3 2 1.090 143.066 154.55 0.0000
6 C2 Cg M 4 3 2 1.552 98.681 14.07 0.1970
7 H2 H1 E 6 4 3 1.091 107.726 -152.01 0.0000
8 C3 Cg 3 6 4 3 1.543 111.214 -33.26 0.3590
9 H3 H1 E 8 6 4 1.092 109.408 69.19 0.0000
10 C4 Cg 3 8 6 4 1.547 112.192 -52.80 0.2470
11 H4 H1 E 10 8 6 1.091 109.623 -66.19 0.0000
12 C5 Cg 3 10 8 6 1.539 110.634 53.97 0.3350
13 H5E H1 E 12 10 8 1.090 109.984 -172.58 0.0000
14 H5A H1 E 12 10 8 1.091 110.140 68.68 0.0000
15 O5 Os E 12 10 8 1.489 111.025 -51.97 -0.5880
16 O4 Oh S 10 8 6 1.453 110.240 174.10 -0.7200
17 H4O Ho E 16 10 8 0.967 107.931 54.72 0.4200
18 O3 Oh S 8 6 4 1.451 108.116 -172.55 -0.7120
19 H3O Ho E 18 8 6 0.966 107.240 -43.40 0.4210
20 O2 Os M 6 4 3 1.464 111.006 90.26 -0.4410
LOOP
O5 C1
DONE
2XB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.682 98.802 -135.60 0.2480
5 H1 H2 E 4 3 2 1.091 72.415 -93.43 0.0000
6 O5 Os M 4 3 2 1.466 132.232 166.71 -0.4470
7 C5 Cg M 6 4 3 1.482 115.196 148.40 0.3030
8 H5E H1 E 7 6 4 1.090 109.061 178.41 0.0000
9 H5A H1 E 7 6 4 1.092 109.076 -63.64 0.0000
10 C4 Cg M 7 6 4 1.541 109.795 57.60 0.2860
11 H4 H1 E 10 7 6 1.091 109.061 67.02 0.0000
12 O4 Oh S 10 7 6 1.447 108.470 -174.60 -0.7230
13 H4O Ho E 12 10 7 0.966 107.383 173.28 0.4300
14 C3 Cg M 10 7 6 1.546 111.571 -54.26 0.2280
15 H3 H1 E 14 10 7 1.092 109.010 -67.31 0.0000
16 O3 Oh S 14 10 7 1.458 108.945 174.50 -0.6820
17 H3O Ho E 16 14 10 0.967 108.169 -177.96 0.4270
18 C2 Cg M 14 10 7 1.547 111.370 53.00 0.4250
19 H2 H1 E 18 14 10 1.092 109.571 69.62 0.0000
20 O2 Os M 18 14 10 1.452 108.733 -171.44 -0.4950
LOOP
C2 C1
DONE
2XD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.757 98.427 -135.59 0.4280
5 H1 H1 E 4 3 2 1.090 154.297 167.70 0.0000
6 C2 Cg M 4 3 2 1.636 88.449 18.82 0.2480
7 H2 H1 E 6 4 3 1.091 107.679 -173.80 0.0000
8 C3 Cg 3 6 4 3 1.634 106.860 -57.15 0.3020
9 H3 H1 E 8 6 4 1.091 108.695 100.33 0.0000
10 C4 Cg 3 8 6 4 1.626 107.473 -15.89 0.2370
11 H4 H1 E 10 8 6 1.090 108.401 126.25 0.0000
12 C5 Cg 3 10 8 6 1.543 116.861 -110.85 0.2800
13 H52 H1 E 12 10 8 1.090 109.111 -166.53 0.0000
14 H51 H1 E 12 10 8 1.090 111.083 -47.72 0.0000
15 O5 Oh S 12 10 8 1.441 110.629 74.51 -0.6780
16 H5O Ho E 15 12 10 0.962 107.911 53.44 0.4220
17 O4 Os E 10 8 6 1.593 104.822 10.20 -0.5070
18 O3 Oh S 8 6 4 1.447 111.050 -140.89 -0.7140
19 H3O Ho E 18 8 6 0.963 109.068 -54.84 0.4260
20 O2 Os M 6 4 3 1.455 113.910 66.16 -0.4440
LOOP
O4 C1
DONE
2XU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.387 98.861 -135.83 0.3880
5 H1 H2 E 4 3 2 1.090 46.961 -113.71 0.0000
6 O4 Os M 4 3 2 1.557 141.976 -176.87 -0.4270
7 C4 Cg M 6 4 3 1.585 113.491 160.80 0.1420
8 H4 H1 E 7 6 4 1.091 108.575 -119.30 0.0000
9 C5 Cg 3 7 6 4 1.541 109.761 121.74 0.2850
10 H52 H1 E 9 7 6 1.091 110.415 -59.53 0.0000
11 H51 H1 E 9 7 6 1.090 109.960 -179.16 0.0000
12 O5 Oh S 9 7 6 1.439 110.113 61.06 -0.6350
13 H5O Ho E 12 9 7 0.959 109.575 48.10 0.3960
14 C3 Cg M 7 6 4 1.626 104.984 -3.27 0.2240
15 H3 H1 E 14 7 6 1.091 107.946 -110.07 0.0000
16 O3 Oh S 14 7 6 1.450 112.399 130.64 -0.6620
17 H3O Ho E 16 14 7 0.964 109.399 168.94 0.4120
18 C2 Cg M 14 7 6 1.636 107.660 8.09 0.3820
19 H2 H1 E 18 14 7 1.091 109.319 108.55 0.0000
20 O2 Os M 18 14 7 1.454 110.186 -132.48 -0.5050
LOOP
C2 C1
DONE
2ZA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.420 99.000 -130.34 0.3980
5 H1 H2 E 4 3 2 1.090 21.912 102.13 0.0000
6 C2 Cg M 4 3 2 1.551 109.472 7.93 0.3260
7 H2 H1 E 6 4 3 1.091 107.487 74.75 0.0000
8 C3 Cg 3 6 4 3 1.547 112.398 -166.09 0.3000
9 H3 H1 E 8 6 4 1.092 108.680 71.61 0.0000
10 C4 Cg 3 8 6 4 1.555 112.948 -49.44 0.1930
11 H4 H1 E 10 8 6 1.091 109.268 -72.54 0.0000
12 C5 Cg 3 10 8 6 1.550 113.190 48.46 0.1870
13 H5 H1 E 12 10 8 1.092 106.693 67.16 0.0000
14 C6 C B 12 10 8 1.597 111.674 -179.86 0.7980
15 O6A O2 E 14 12 10 1.259 117.589 -37.92 -0.7870
16 O6B O2 E 14 12 10 1.252 118.424 145.06 -0.7870
17 O5 Os E 12 10 8 1.515 110.155 -47.11 -0.5440
18 O4 Oh S 10 8 6 1.452 109.657 168.36 -0.6820
19 H4O Ho E 18 10 8 0.983 105.869 -171.10 0.4220
20 O3 Oh S 8 6 4 1.458 107.208 -171.22 -0.7430
21 H3O Ho E 20 8 6 0.962 107.044 -49.33 0.4390
22 O2 Os M 6 4 3 1.467 110.139 -42.45 -0.5200
LOOP
O5 C1
DONE
2ZB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.413 98.374 -136.24 0.2510
5 H1 H2 E 4 3 2 1.091 70.111 -94.11 0.0000
6 O5 Os M 4 3 2 1.460 133.490 168.28 -0.4130
7 C5 Cg M 6 4 3 1.502 116.304 144.38 0.0750
8 H5 H1 E 7 6 4 1.092 106.868 -58.62 0.0000
9 C6 C B 7 6 4 1.584 116.788 -176.23 0.8930
10 O6B O2 E 9 7 6 1.258 117.333 -166.06 -0.8180
11 O6A O2 E 9 7 6 1.252 118.262 15.31 -0.8180
12 C4 Cg M 7 6 4 1.542 108.303 57.48 0.2670
13 H4 H1 E 12 7 6 1.092 108.248 69.44 0.0000
14 O4 Oh S 12 7 6 1.449 108.907 -172.84 -0.7330
15 H4O Ho E 14 12 7 0.987 105.292 -42.75 0.4290
16 C3 Cg M 12 7 6 1.552 113.280 -51.87 0.2660
17 H3 H1 E 16 12 7 1.092 108.760 -69.98 0.0000
18 O3 Oh S 16 12 7 1.459 107.412 172.72 -0.7010
19 H3O Ho E 18 16 12 0.966 105.666 48.32 0.4030
20 C2 Cg M 16 12 7 1.551 112.291 50.40 0.4110
21 H2 H1 E 20 16 12 1.092 109.200 71.99 0.0000
22 O2 Os M 20 16 12 1.458 111.055 -168.01 -0.5120
LOOP
C2 C1
DONE
2aA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.188 125.377 -138.64 0.4480
5 H1 H2 E 4 3 2 1.091 32.906 146.73 0.0000
6 O5 Os M 4 3 2 1.484 133.629 99.38 -0.5640
7 C5 Cg M 6 4 3 1.479 117.874 -165.14 0.3790
8 H5A H1 E 7 6 4 1.091 109.412 64.62 0.0000
9 H5E H1 E 7 6 4 1.090 109.141 -176.99 0.0000
10 C4 Cg M 7 6 4 1.532 108.551 -56.56 0.2450
11 H4 H1 E 10 7 6 1.091 108.287 -64.52 0.0000
12 O4 Oh S 10 7 6 1.437 109.023 178.50 -0.7480
13 H4O Ho E 12 10 7 0.960 109.412 -63.47 0.4340
14 C3 Cg M 10 7 6 1.543 112.944 55.64 0.3350
15 H3 H1 E 14 10 7 1.091 109.892 -174.01 0.0000
16 O3 Oh S 14 10 7 1.441 110.011 67.03 -0.7720
17 H3O Ho E 16 14 10 0.960 109.473 179.30 0.4610
18 C2 Cg M 14 10 7 1.543 111.532 -51.47 0.2680
19 H2 H1 E 18 14 10 1.092 109.910 169.41 0.0000
20 O2 Os M 18 14 10 1.437 107.286 -74.11 -0.4860
LOOP
C2 C1
DONE
2aB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.197 114.912 -133.16 0.3790
5 H1 H2 E 4 3 2 1.091 60.190 -69.03 0.0000
6 C2 Cg M 4 3 2 1.563 137.254 -156.94 0.3000
7 H2 H1 E 6 4 3 1.091 109.469 14.39 0.0000
8 C3 Cg 3 6 4 3 1.543 109.402 134.96 0.2970
9 H3 H1 E 8 6 4 1.091 109.527 174.23 0.0000
10 C4 Cg 3 8 6 4 1.551 111.469 53.21 0.2240
11 H4 H1 E 10 8 6 1.091 108.923 64.26 0.0000
12 C5 Cg 3 10 8 6 1.546 111.087 -54.81 0.3560
13 H5A H1 E 12 10 8 1.091 110.570 -66.53 0.0000
14 H5E H1 E 12 10 8 1.090 109.958 174.33 0.0000
15 O5 Os E 12 10 8 1.485 110.184 54.27 -0.5290
16 O4 Oh S 10 8 6 1.458 110.429 -177.71 -0.7300
17 H4O Ho E 16 10 8 0.964 110.010 -85.04 0.4400
18 O3 Oh S 8 6 4 1.454 108.942 -67.85 -0.6680
19 H3O Ho E 18 8 6 0.966 107.607 169.51 0.4070
20 O2 Os M 6 4 3 1.460 111.691 -105.49 -0.4760
LOOP
O5 C1
DONE
2aD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.368 114.897 -133.01 0.3680
5 H1 H2 E 4 3 2 1.090 119.976 17.53 0.0000
6 O4 Os M 4 3 2 1.561 59.259 -79.14 -0.4530
7 C4 Cg M 6 4 3 1.585 113.130 -121.92 0.1470
8 H4 H1 E 7 6 4 1.091 108.094 110.87 0.0000
9 C5 Cg 3 7 6 4 1.531 111.011 -129.51 0.3380
10 H51 H1 E 9 7 6 1.090 110.161 -65.64 0.0000
11 H52 H1 E 9 7 6 1.090 110.286 174.71 0.0000
12 O5 Oh S 9 7 6 1.438 109.271 54.27 -0.6960
13 H5O Ho E 12 9 7 0.963 107.879 -70.16 0.3990
14 C3 Cg M 7 6 4 1.617 105.385 -6.71 0.3700
15 H3 H1 E 14 7 6 1.091 110.266 -112.89 0.0000
16 O3 Oh S 14 7 6 1.445 109.680 127.75 -0.7030
17 H3O Ho E 16 14 7 0.962 109.189 179.20 0.4040
18 C2 Cg M 14 7 6 1.638 107.830 6.88 0.2780
19 H2 H1 E 18 14 7 1.092 109.588 114.25 0.0000
20 O2 Os M 18 14 7 1.459 110.296 -126.81 -0.4520
LOOP
C2 C1
DONE
2aU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.454 114.767 -133.16 0.4770
5 H1 H2 E 4 3 2 1.090 87.975 -58.14 0.0000
6 C2 Cg M 4 3 2 1.636 130.777 -176.24 0.3280
7 H2 H1 E 6 4 3 1.091 107.572 122.70 0.0000
8 C3 Cg 3 6 4 3 1.636 107.243 -120.25 0.2150
9 H3 H1 E 8 6 4 1.091 109.548 106.72 0.0000
10 C4 Cg 3 8 6 4 1.623 107.636 -12.21 0.3270
11 H4 H1 E 10 8 6 1.091 110.021 -108.06 0.0000
12 C5 Cg 3 10 8 6 1.536 113.561 128.49 0.2270
13 H51 H1 E 12 10 8 1.090 110.273 60.89 0.0000
14 H52 H1 E 12 10 8 1.090 110.003 -58.63 0.0000
15 O5 Oh S 12 10 8 1.440 109.976 -178.69 -0.6500
16 H5O Ho E 15 12 10 0.963 109.100 48.75 0.3970
17 O4 Os E 10 8 6 1.592 104.988 8.35 -0.5320
18 O3 Oh S 8 6 4 1.449 110.684 -133.44 -0.7280
19 H3O Ho E 18 8 6 0.965 109.557 -66.15 0.4370
20 O2 Os M 6 4 3 1.456 114.449 2.64 -0.4980
LOOP
O4 C1
DONE
2bA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 32.129 115.486 -131.25 -0.3880
5 C2 Cg B 4 3 2 1.443 107.697 125.57 0.1300
6 O6 Os S 5 4 3 1.483 105.248 -114.66 -0.5070
7 C6 Cg 3 6 5 4 1.491 117.309 -65.69 0.3410
8 H6A H1 E 7 6 5 1.091 108.839 69.58 0.0000
9 H6E H1 E 7 6 5 1.090 108.907 -173.08 0.0000
10 C5 Cg 3 7 6 5 1.544 111.103 -51.77 0.2240
11 H5 H1 E 10 7 6 1.091 108.357 -70.02 0.0000
12 O5 Oh S 10 7 6 1.455 108.467 172.51 -0.6900
13 H5O Ho E 12 10 7 0.963 109.307 159.42 0.4290
14 C4 Cg 3 10 7 6 1.550 111.673 50.56 0.3350
15 H4 H1 E 14 10 7 1.092 110.207 65.56 0.0000
16 O4 Oh S 14 10 7 1.461 109.228 -175.33 -0.7240
17 H4O Ho E 16 14 10 0.964 108.580 -89.49 0.4210
18 C3 Cg B 14 10 7 1.548 109.394 -55.39 0.3720
19 H3 H1 E 18 14 10 1.092 107.364 -59.65 0.0000
20 O3 Oh S 18 14 10 1.456 111.878 -176.69 -0.7160
21 H3O Ho E 20 18 14 0.964 107.033 43.80 0.4300
22 C1 Cg 3 5 4 3 1.560 108.017 3.54 0.4280
23 H11 H1 E 22 5 4 1.090 109.813 -68.67 0.0000
24 H12 H1 E 22 5 4 1.091 110.098 49.75 0.0000
25 O1 Oh S 22 5 4 1.443 112.003 170.24 -0.6780
26 H1O Ho E 25 22 5 0.961 107.457 -73.22 0.3990
LOOP
C3 C2
DONE
2bB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 32.394 116.308 -131.58 -0.3880
5 C2 Cg B 4 3 2 1.435 126.708 -54.29 0.2270
6 C1 Cg 3 5 4 3 1.563 108.115 -13.47 0.2810
7 H11 H1 E 6 5 4 1.090 110.121 -173.85 0.0000
8 H12 H1 E 6 5 4 1.091 110.325 -55.14 0.0000
9 O1 Oh S 6 5 4 1.444 111.743 65.73 -0.6260
10 H1O Ho E 9 6 5 0.960 109.452 -179.75 0.3950
11 C3 Cg 3 5 4 3 1.564 108.613 -136.97 0.4640
12 H3 H1 E 11 5 4 1.092 108.642 -47.43 0.0000
13 C4 Cg 3 11 5 4 1.550 112.585 -167.49 0.1080
14 H4 H1 E 13 11 5 1.092 109.044 -68.01 0.0000
15 C5 Cg 3 13 11 5 1.545 110.670 52.19 0.3400
16 H5 H1 E 15 13 11 1.091 109.543 69.26 0.0000
17 C6 Cg 3 15 13 11 1.543 112.662 -52.18 0.3110
18 H6A H1 E 17 15 13 1.091 110.545 -68.04 0.0000
19 H6E H1 E 17 15 13 1.090 110.160 172.58 0.0000
20 O6 Os E 17 15 13 1.485 109.751 52.43 -0.4770
21 O5 Oh S 15 13 11 1.444 107.942 -172.32 -0.7200
22 H5O Ho E 21 15 13 0.966 106.322 -48.08 0.4290
23 O4 Oh S 13 11 5 1.460 110.433 173.08 -0.6750
24 H4O Ho E 23 13 11 0.968 108.634 54.62 0.4350
25 O3 Oh S 11 5 4 1.453 110.350 70.92 -0.7300
26 H3O Ho E 25 11 5 0.965 106.403 -56.73 0.4320
LOOP
O6 C2
DONE
2bD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 32.194 115.296 -131.85 -0.3880
5 C2 Cg B 4 3 2 1.435 79.226 147.38 0.2410
6 O5 Os S 5 4 3 1.565 103.604 -99.26 -0.4520
7 C5 Cg 3 6 5 4 1.587 113.494 -106.37 0.2710
8 H5 H1 E 7 6 5 1.091 109.010 115.27 0.0000
9 C6 Cg 3 7 6 5 1.543 109.502 -125.08 0.2810
10 H61 H1 E 9 7 6 1.090 110.249 169.67 0.0000
11 H62 H1 E 9 7 6 1.091 109.980 50.42 0.0000
12 O6 Oh S 9 7 6 1.443 110.886 -70.57 -0.6790
13 H6O Ho E 12 9 7 0.959 110.164 -69.40 0.4110
14 C4 Cg 3 7 6 5 1.626 104.732 -0.82 0.2250
15 H4 H1 E 14 7 6 1.091 107.421 106.22 0.0000
16 O4 Oh S 14 7 6 1.457 113.168 -134.63 -0.7100
17 H4O Ho E 16 14 7 0.965 109.577 -164.20 0.4350
18 C3 Cg B 14 7 6 1.636 107.413 -10.45 0.4400
19 H3 H1 E 18 14 7 1.090 107.628 -98.64 0.0000
20 O3 Oh S 18 14 7 1.453 110.696 144.44 -0.7320
21 H3O Ho E 20 18 14 0.959 109.052 117.13 0.4040
22 C1 Cg 3 5 4 3 1.546 109.248 19.74 0.3130
23 H11 H1 E 22 5 4 1.091 109.856 -61.94 0.0000
24 H12 H1 E 22 5 4 1.090 110.325 57.18 0.0000
25 O1 Oh S 22 5 4 1.443 110.871 177.70 -0.6680
26 H1O Ho E 25 22 5 0.961 109.037 163.85 0.4140
LOOP
C3 C2
DONE
2bU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 32.774 115.912 -131.39 -0.3880
5 C2 Cg B 4 3 2 1.436 110.928 -57.40 0.2470
6 C1 Cg 3 5 4 3 1.553 109.755 -5.97 0.2990
7 H11 H1 E 6 5 4 1.091 109.538 -178.40 0.0000
8 H12 H1 E 6 5 4 1.091 110.361 -59.58 0.0000
9 O1 Oh S 6 5 4 1.445 111.462 61.50 -0.6270
10 H1O Ho E 9 6 5 0.960 109.374 172.60 0.3820
11 C3 Cg 3 5 4 3 1.635 109.084 -131.95 0.3820
12 H3 H1 E 11 5 4 1.091 108.980 -10.10 0.0000
13 C4 Cg 3 11 5 4 1.637 107.249 -126.97 0.2830
14 H4 H1 E 13 11 5 1.091 108.865 -102.82 0.0000
15 C5 Cg 3 13 11 5 1.624 107.577 13.45 0.2100
16 H5 H1 E 15 13 11 1.091 108.969 -127.62 0.0000
17 C6 Cg 3 15 13 11 1.541 114.994 109.54 0.3320
18 H61 H1 E 17 15 13 1.090 109.861 59.82 0.0000
19 H62 H1 E 17 15 13 1.090 110.302 -59.54 0.0000
20 O6 Oh S 17 15 13 1.442 110.695 179.56 -0.7010
21 H6O Ho E 20 17 15 0.959 110.169 -52.94 0.4090
22 O5 Os E 15 13 11 1.582 104.801 -11.31 -0.3850
23 O4 Oh S 13 11 5 1.453 111.864 137.73 -0.7550
24 H4O Ho E 23 13 11 0.964 109.402 67.17 0.4340
25 O3 Oh S 11 5 4 1.455 113.678 110.10 -0.7420
26 H3O Ho E 25 11 5 0.963 108.479 -78.45 0.4260
LOOP
O5 C2
DONE
2cA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 31.946 115.707 -131.20 -0.3880
5 C2 Cg B 4 3 2 1.424 115.572 124.40 0.3450
6 O6 Os S 5 4 3 1.483 104.274 -114.21 -0.6200
7 C6 Cg 3 6 5 4 1.483 118.572 -74.26 0.4370
8 H6A H1 E 7 6 5 1.091 109.541 67.42 0.0000
9 H6E H1 E 7 6 5 1.090 108.752 -174.83 0.0000
10 C5 Cg 3 7 6 5 1.538 109.646 -54.60 0.1950
11 H5 H1 E 10 7 6 1.091 108.701 -59.59 0.0000
12 O5 Oh S 10 7 6 1.462 111.474 -178.00 -0.7090
13 H5O Ho E 12 10 7 0.964 110.741 83.12 0.4150
14 C4 Cg 3 10 7 6 1.544 109.577 58.96 0.3670
15 H4 H1 E 14 10 7 1.091 108.427 -177.56 0.0000
16 O4 Oh S 14 10 7 1.450 110.035 65.74 -0.7200
17 H4O Ho E 16 14 10 0.965 107.347 50.59 0.3940
18 C3 Cg B 14 10 7 1.551 112.343 -57.29 0.2470
19 H3 H1 E 18 14 10 1.092 108.943 168.11 0.0000
20 O3 Oh S 18 14 10 1.466 107.388 -76.78 -0.6550
21 H3O Ho E 20 18 14 0.965 109.737 -75.75 0.4060
22 C1 Cg 3 5 4 3 1.567 106.274 2.38 0.3860
23 H11 H1 E 22 5 4 1.091 110.132 -53.26 0.0000
24 H12 H1 E 22 5 4 1.091 109.446 64.91 0.0000
25 O1 Oh S 22 5 4 1.446 112.801 -174.36 -0.6960
26 H1O Ho E 25 22 5 0.968 106.626 -39.29 0.4020
LOOP
C3 C2
DONE
2cB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 32.473 116.449 -131.62 -0.3880
5 C2 Cg B 4 3 2 1.438 126.476 -52.44 0.2440
6 C1 Cg 3 5 4 3 1.563 106.384 -13.56 0.2970
7 H11 H1 E 6 5 4 1.088 110.800 -179.57 0.0000
8 H12 H1 E 6 5 4 1.091 110.065 -60.55 0.0000
9 O1 Oh S 6 5 4 1.447 111.733 60.37 -0.6690
10 H1O Ho E 9 6 5 0.961 109.456 178.60 0.4010
11 C3 Cg 3 5 4 3 1.569 108.922 -135.57 0.3170
12 H3 H1 E 11 5 4 1.091 109.321 73.06 0.0000
13 C4 Cg 3 11 5 4 1.551 113.143 -164.40 0.3440
14 H4 H1 E 13 11 5 1.091 109.341 168.38 0.0000
15 C5 Cg 3 13 11 5 1.549 111.995 47.93 0.1950
16 H5 H1 E 15 13 11 1.091 108.324 67.05 0.0000
17 C6 Cg 3 15 13 11 1.539 112.024 -51.70 0.3650
18 H6A H1 E 17 15 13 1.091 110.698 -66.37 0.0000
19 H6E H1 E 17 15 13 1.090 110.083 174.22 0.0000
20 O6 Os E 17 15 13 1.482 109.460 54.46 -0.4600
21 O5 Oh S 15 13 11 1.457 110.756 -175.28 -0.6840
22 H5O Ho E 21 15 13 0.965 109.084 44.29 0.4150
23 O4 Oh S 13 11 5 1.459 109.536 -74.38 -0.6980
24 H4O Ho E 23 13 11 0.964 108.929 -91.80 0.4170
25 O3 Oh S 11 5 4 1.453 110.172 -44.91 -0.6970
26 H3O Ho E 25 11 5 0.968 105.774 30.26 0.4070
LOOP
O6 C2
DONE
2cD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 32.291 115.522 -131.88 -0.3880
5 C2 Cg B 4 3 2 1.430 72.474 140.69 0.2840
6 O5 Os S 5 4 3 1.564 104.289 -102.44 -0.4980
7 C5 Cg 3 6 5 4 1.584 113.350 -104.54 0.3090
8 H5 H1 E 7 6 5 1.092 109.375 118.93 0.0000
9 C6 Cg 3 7 6 5 1.538 110.489 -119.98 0.2650
10 H61 H1 E 9 7 6 1.090 109.956 165.98 0.0000
11 H62 H1 E 9 7 6 1.091 109.952 47.12 0.0000
12 O6 Oh S 9 7 6 1.442 111.246 -74.00 -0.6640
13 H6O Ho E 12 9 7 0.960 110.855 -67.48 0.4120
14 C4 Cg 3 7 6 5 1.621 104.926 0.33 0.3320
15 H4 H1 E 14 7 6 1.091 111.196 -131.00 0.0000
16 O4 Oh S 14 7 6 1.453 109.530 109.63 -0.7840
17 H4O Ho E 16 14 7 0.965 110.375 -68.04 0.4440
18 C3 Cg B 14 7 6 1.638 107.987 -8.85 0.2820
19 H3 H1 E 18 14 7 1.091 111.251 134.95 0.0000
20 O3 Oh S 18 14 7 1.460 108.216 -106.61 -0.7160
21 H3O Ho E 20 18 14 0.965 109.355 -77.40 0.4320
22 C1 Cg 3 5 4 3 1.556 109.577 17.77 0.3700
23 H11 H1 E 22 5 4 1.091 110.210 -59.03 0.0000
24 H12 H1 E 22 5 4 1.091 109.651 59.82 0.0000
25 O1 Oh S 22 5 4 1.441 111.328 179.99 -0.6880
26 H1O Ho E 25 22 5 0.970 106.366 -49.38 0.4140
LOOP
C3 C2
DONE
2cU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 38.320 123.952 -139.52 -0.3880
5 C2 Cg B 4 3 2 1.441 121.077 -29.33 0.2390
6 C1 Cg 3 5 4 3 1.537 107.629 18.26 0.2870
7 H11 H1 E 6 5 4 1.091 109.952 -173.28 0.0000
8 H12 H1 E 6 5 4 1.091 110.638 -53.99 0.0000
9 O1 Oh S 6 5 4 1.437 110.256 67.02 -0.6240
10 H1O Ho E 9 6 5 0.960 109.490 179.97 0.4010
11 C3 Cg 3 5 4 3 1.636 111.508 -104.26 0.3330
12 H3 H1 E 11 5 4 1.091 111.948 103.39 0.0000
13 C4 Cg 3 11 5 4 1.624 107.103 -133.05 0.2930
14 H4 H1 E 13 11 5 1.092 112.868 136.79 0.0000
15 C5 Cg 3 13 11 5 1.622 107.882 12.29 0.3100
16 H5 H1 E 15 13 11 1.092 110.981 -127.12 0.0000
17 C6 Cg 3 15 13 11 1.529 112.711 109.36 0.2720
18 H61 H1 E 17 15 13 1.090 110.315 59.90 0.0000
19 H62 H1 E 17 15 13 1.091 110.618 -60.32 0.0000
20 O6 Oh S 17 15 13 1.433 108.667 179.51 -0.6520
21 H6O Ho E 20 17 15 0.960 109.494 -59.32 0.3970
22 O5 Os E 15 13 11 1.577 105.503 -8.77 -0.4490
23 O4 Oh S 13 11 5 1.434 107.032 -103.41 -0.7630
24 H4O Ho E 23 13 11 0.960 109.480 178.44 0.4310
25 O3 Oh S 11 5 4 1.439 111.311 -18.70 -0.6910
26 H3O Ho E 25 11 5 0.960 109.418 61.51 0.4100
LOOP
O5 C2
DONE
2dA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.386 115.065 -132.97 0.3980
5 H1 H2 E 4 3 2 1.090 122.721 39.39 0.0000
6 O5 Os M 4 3 2 1.470 69.754 -59.92 -0.4870
7 C5 Cg M 6 4 3 1.490 117.560 -72.03 0.2750
8 H5A H1 E 7 6 4 1.092 108.478 71.52 0.0000
9 H5E H1 E 7 6 4 1.090 108.927 -171.44 0.0000
10 C4 Cg M 7 6 4 1.543 111.684 -49.69 0.3510
11 H4 H1 E 10 7 6 1.091 109.854 -69.03 0.0000
12 O4 Oh S 10 7 6 1.447 108.472 171.92 -0.7110
13 H4O Ho E 12 10 7 0.966 106.152 -168.99 0.4220
14 C3 Cg M 10 7 6 1.545 110.247 52.70 0.1840
15 H3 H1 E 14 10 7 1.091 108.583 60.91 0.0000
16 O3 Oh S 14 10 7 1.459 110.859 178.21 -0.6550
17 H3O Ho E 16 14 10 0.962 110.146 169.76 0.4170
18 C2 Cg M 14 10 7 1.549 111.008 -57.45 0.2460
19 H2 H1 E 18 14 10 1.091 109.256 175.96 0.0000
20 O2 Os M 18 14 10 1.458 110.247 -65.62 -0.4400
LOOP
C2 C1
DONE
2dB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.553 116.316 -128.93 0.4480
5 H1 H2 E 4 3 2 1.091 113.723 25.37 0.0000
6 C2 Cg M 4 3 2 1.543 134.009 -175.87 0.2260
7 H2 H1 E 6 4 3 1.091 110.247 141.57 0.0000
8 C3 Cg 3 6 4 3 1.543 109.102 -97.36 0.2010
9 H3 H1 E 8 6 4 1.092 108.078 -65.99 0.0000
10 C4 Cg 3 8 6 4 1.543 112.432 54.46 0.3350
11 H4 H1 E 10 8 6 1.091 110.326 70.31 0.0000
12 C5 Cg 3 10 8 6 1.539 111.797 -51.79 0.2750
13 H5A H1 E 12 10 8 1.092 110.541 -69.74 0.0000
14 H5E H1 E 12 10 8 1.090 110.214 170.80 0.0000
15 O5 Os E 12 10 8 1.480 110.071 50.34 -0.5190
16 O4 Oh S 10 8 6 1.436 108.765 -169.83 -0.7090
17 H4O Ho E 16 10 8 0.960 109.449 -59.99 0.4360
18 O3 Oh S 8 6 4 1.440 109.342 176.73 -0.7010
19 H3O Ho E 18 8 6 0.960 109.476 177.81 0.4320
20 O2 Os M 6 4 3 1.446 108.761 21.88 -0.4240
LOOP
O5 C1
DONE
2dD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.268 115.026 -133.11 0.3800
5 H1 H1 E 4 3 2 1.090 114.859 26.91 0.0000
6 O4 Os M 4 3 2 1.562 69.561 -75.86 -0.4230
7 C4 Cg M 6 4 3 1.588 112.912 -129.70 0.1890
8 H4 H1 E 7 6 4 1.091 107.600 104.77 0.0000
9 C5 Cg 3 7 6 4 1.537 110.486 -136.68 0.3050
10 H51 H1 E 9 7 6 1.090 110.600 57.42 0.0000
11 H52 H1 E 9 7 6 1.090 110.349 177.71 0.0000
12 O5 Oh S 9 7 6 1.438 108.908 -62.47 -0.6970
13 H5O Ho E 12 9 7 0.962 108.141 56.44 0.4140
14 C3 Cg M 7 6 4 1.624 104.960 -9.27 0.2980
15 H3 H1 E 14 7 6 1.090 111.418 136.70 0.0000
16 O3 Oh S 14 7 6 1.446 109.315 -102.58 -0.6780
17 H3O Ho E 16 14 7 0.969 106.468 140.77 0.4170
18 C2 Cg M 14 7 6 1.641 106.916 15.19 0.2290
19 H2 H1 E 18 14 7 1.091 107.286 100.85 0.0000
20 O2 Os M 18 14 7 1.459 112.998 -140.55 -0.4340
LOOP
C2 C1
DONE
2dU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.298 115.109 -132.95 0.4360
5 H1 H2 E 4 3 2 1.090 33.811 -66.58 0.0000
6 C2 Cg M 4 3 2 1.640 133.355 -123.59 0.2840
7 H2 H1 E 6 4 3 1.089 110.427 15.83 0.0000
8 C3 Cg 3 6 4 3 1.642 106.290 136.04 0.3000
9 H3 H1 E 8 6 4 1.091 107.886 -101.19 0.0000
10 C4 Cg 3 8 6 4 1.620 107.806 14.92 0.1350
11 H4 H1 E 10 8 6 1.091 108.974 -127.93 0.0000
12 C5 Cg 3 10 8 6 1.542 114.725 109.52 0.3730
13 H51 H1 E 12 10 8 1.090 109.887 61.57 0.0000
14 H52 H1 E 12 10 8 1.091 110.456 -58.00 0.0000
15 O5 Oh S 12 10 8 1.439 110.322 -178.69 -0.7250
16 H5O Ho E 15 12 10 0.959 109.321 -36.11 0.4180
17 O4 Os E 10 8 6 1.588 104.668 -11.75 -0.5170
18 O3 Oh S 8 6 4 1.446 112.188 139.89 -0.6420
19 H3O Ho E 18 8 6 0.970 106.239 -9.38 0.4050
20 O2 Os M 6 4 3 1.464 111.148 -105.13 -0.4670
LOOP
O4 C1
DONE
2eA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Oh S 9 7 6 1.434 108.916 -64.43 -0.6630
13 H6O Ho E 12 9 7 0.960 109.470 -59.69 0.4060
14 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
15 H4 H1 E 14 7 6 1.091 108.456 -65.22 0.0000
16 O4 Oh S 14 7 6 1.439 109.886 177.28 -0.7210
17 H4O Ho E 16 14 7 0.960 109.412 -63.34 0.4150
18 C3 Cg M 14 7 6 1.544 113.133 54.81 0.3280
19 H3 H1 E 18 14 7 1.091 109.843 -174.05 0.0000
20 O3 Oh S 18 14 7 1.442 110.012 67.08 -0.7140
21 H3O Ho E 20 18 14 0.960 109.461 179.72 0.4200
22 C2 Cg M 18 14 7 1.541 111.809 -51.50 0.1790
23 H2 H1 E 22 18 14 1.092 109.967 169.74 0.0000
24 O2 Os M 22 18 14 1.437 107.327 -73.67 -0.4370
LOOP
C2 C1
DONE
2eB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 C3 Cg 3 6 4 3 1.540 108.887 135.69 0.3150
9 H3 H1 E 8 6 4 1.091 109.473 176.26 0.0000
10 C4 Cg 3 8 6 4 1.554 111.264 55.47 0.3200
11 H4 H1 E 10 8 6 1.091 108.716 63.72 0.0000
12 C5 Cg 3 10 8 6 1.549 111.196 -55.77 0.2570
13 H5 H1 E 12 10 8 1.092 109.111 -65.44 0.0000
14 C6 Cg 3 12 10 8 1.541 112.018 174.42 0.2780
15 H61 H1 E 14 12 10 1.090 110.614 60.34 0.0000
16 H62 H1 E 14 12 10 1.091 110.136 -59.38 0.0000
17 O6 Oh S 14 12 10 1.439 109.977 -179.42 -0.6770
18 H6O Ho E 17 14 12 0.962 108.042 50.79 0.4080
19 O5 Os E 12 10 8 1.501 109.730 53.07 -0.5320
20 O4 Oh S 10 8 6 1.457 110.079 -178.65 -0.7240
21 H4O Ho E 20 10 8 0.964 110.039 -78.83 0.4200
22 O3 Oh S 8 6 4 1.454 108.210 -66.23 -0.6810
23 H3O Ho E 22 8 6 0.965 108.397 172.17 0.4030
24 O2 Os M 6 4 3 1.463 112.571 -104.80 -0.4590
LOOP
O5 C1
DONE
2fA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.290 114.938 -133.05 0.3990
5 H1 H2 E 4 3 2 1.090 120.789 32.75 0.0000
6 O5 Os M 4 3 2 1.472 68.244 -66.42 -0.4940
7 C5 Cg M 6 4 3 1.495 116.875 -70.92 0.1870
8 H5 H1 E 7 6 4 1.091 107.622 67.25 0.0000
9 C6 Cg 3 7 6 4 1.531 107.907 -177.50 0.0650
10 H61 Hc E 9 7 6 1.091 112.013 60.69 0.0000
11 H62 Hc E 9 7 6 1.091 111.136 -59.35 0.0000
12 H63 Hc E 9 7 6 1.090 111.280 -178.78 0.0000
13 C4 Cg M 7 6 4 1.554 111.650 -50.04 0.2630
14 H4 H1 E 13 7 6 1.091 108.736 170.14 0.0000
15 O4 Oh S 13 7 6 1.452 110.366 -71.52 -0.7390
16 H4O Ho E 15 13 7 0.966 107.152 175.93 0.4470
17 C3 Cg M 13 7 6 1.549 111.442 50.00 0.2280
18 H3 H1 E 17 13 7 1.091 108.535 63.68 0.0000
19 O3 Oh S 17 13 7 1.464 109.243 -179.40 -0.6930
20 H3O Ho E 19 17 13 0.965 108.720 -158.83 0.4260
21 C2 Cg M 17 13 7 1.550 109.944 -55.77 0.4560
22 H2 H1 E 21 17 13 1.091 109.004 -59.37 0.0000
23 O2 Os M 21 17 13 1.463 111.178 -176.89 -0.5450
LOOP
C2 C1
DONE
2fB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.094 122.532 -140.40 0.4180
5 H1 H2 E 4 3 2 1.091 73.877 -8.00 0.0000
6 C2 Cg M 4 3 2 1.545 109.309 -114.38 0.3460
7 H2 H1 E 6 4 3 1.092 110.063 -86.50 0.0000
8 C3 Cg 3 6 4 3 1.542 111.933 150.88 0.2550
9 H3 H1 E 8 6 4 1.092 108.986 -69.25 0.0000
10 C4 Cg 3 8 6 4 1.542 112.898 50.54 0.2290
11 H4 H1 E 10 8 6 1.091 109.948 -175.33 0.0000
12 C5 Cg 3 10 8 6 1.543 109.625 -54.44 0.1060
13 H5 H1 E 12 10 8 1.092 108.258 -61.07 0.0000
14 C6 Cg 3 12 10 8 1.531 115.663 178.40 0.0920
15 H61 Hc E 14 12 10 1.091 111.160 177.14 0.0000
16 H62 Hc E 14 12 10 1.091 112.070 -62.71 0.0000
17 H63 Hc E 14 12 10 1.091 111.199 57.72 0.0000
18 O5 Os E 12 10 8 1.481 108.818 56.43 -0.4420
19 O4 Oh S 10 8 6 1.445 109.758 64.85 -0.6590
20 H4O Ho E 19 10 8 0.960 109.451 -179.30 0.4230
21 O3 Oh S 8 6 4 1.440 109.807 172.76 -0.6760
22 H3O Ho E 21 8 6 0.960 109.419 57.20 0.4270
23 O2 Os M 6 4 3 1.439 107.580 32.59 -0.5190
LOOP
O5 C1
DONE
2gA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Oh S 9 7 6 1.444 110.823 -72.03 -0.6820
13 H6O Ho E 12 9 7 0.960 109.735 -78.35 0.4180
14 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
15 H4 H1 E 14 7 6 1.092 109.342 -68.48 0.0000
16 O4 Oh S 14 7 6 1.451 108.995 172.71 -0.7100
17 H4O Ho E 16 14 7 0.968 107.227 -172.23 0.4360
18 C3 Cg M 14 7 6 1.547 111.254 52.54 0.2860
19 H3 H1 E 18 14 7 1.092 109.616 66.99 0.0000
20 O3 Oh S 18 14 7 1.452 108.604 -174.42 -0.6990
21 H3O Ho E 20 18 14 0.967 107.382 165.20 0.4270
22 C2 Cg M 18 14 7 1.543 112.114 -54.50 0.2460
23 H2 H1 E 22 18 14 1.091 108.373 -65.99 0.0000
24 O2 Os M 22 18 14 1.465 110.086 176.46 -0.4700
LOOP
C2 C1
DONE
2gB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 C3 Cg 3 6 4 3 1.545 110.380 140.59 0.2840
9 H3 H1 E 8 6 4 1.092 109.008 -69.00 0.0000
10 C4 Cg 3 8 6 4 1.548 112.113 51.91 0.2760
11 H4 H1 E 10 8 6 1.092 109.378 67.39 0.0000
12 C5 Cg 3 10 8 6 1.543 111.306 -53.55 0.2250
13 H5 H1 E 12 10 8 1.092 109.126 -64.00 0.0000
14 C6 Cg 3 12 10 8 1.541 112.515 175.39 0.2820
15 H61 H1 E 14 12 10 1.090 110.609 61.43 0.0000
16 H62 H1 E 14 12 10 1.091 110.212 -58.37 0.0000
17 O6 Oh S 14 12 10 1.440 109.810 -178.39 -0.6880
18 H6O Ho E 17 14 12 0.962 108.265 53.10 0.4240
19 O5 Os E 12 10 8 1.495 108.909 54.04 -0.4710
20 O4 Oh S 10 8 6 1.448 109.104 -173.75 -0.7140
21 H4O Ho E 20 10 8 0.967 107.435 -50.50 0.4400
22 O3 Oh S 8 6 4 1.454 109.219 172.60 -0.7090
23 H3O Ho E 22 8 6 0.967 107.396 52.27 0.4320
24 O2 Os M 6 4 3 1.458 110.080 20.25 -0.4750
LOOP
O5 C1
DONE
2hA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.373 114.818 -133.12 0.3940
5 H1 H2 E 4 3 2 1.090 123.975 26.37 0.0000
6 O5 Os M 4 3 2 1.473 66.142 -70.59 -0.4610
7 C5 Cg M 6 4 3 1.486 117.952 -69.56 0.2790
8 H5 H1 E 7 6 4 1.092 108.099 67.53 0.0000
9 C6 Cg 3 7 6 4 1.530 106.736 -176.09 0.0230
10 H61 Hc E 9 7 6 1.091 111.668 63.20 0.0000
11 H62 Hc E 9 7 6 1.091 111.314 -56.98 0.0000
12 H63 Hc E 9 7 6 1.090 111.509 -176.49 0.0000
13 C4 Cg M 7 6 4 1.549 110.695 -51.67 0.1870
14 H4 H1 E 13 7 6 1.091 109.781 -68.51 0.0000
15 O4 Oh S 13 7 6 1.456 109.491 172.11 -0.6440
16 H4O Ho E 15 13 7 0.963 110.183 73.83 0.4050
17 C3 Cg M 13 7 6 1.545 110.317 52.49 0.2360
18 H3 H1 E 17 13 7 1.092 108.830 64.14 0.0000
19 O3 Oh S 17 13 7 1.452 109.689 -178.23 -0.6490
20 H3O Ho E 19 17 13 0.965 106.808 -52.52 0.4250
21 C2 Cg M 17 13 7 1.545 112.380 -55.89 0.2480
22 H2 H1 E 21 17 13 1.091 109.364 174.25 0.0000
23 O2 Os M 21 17 13 1.456 109.714 -67.50 -0.4430
LOOP
C2 C1
DONE
2hB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 42.030 124.543 -153.41 0.3810
5 H1 H2 E 4 3 2 1.091 139.785 159.66 0.0000
6 C2 Cg M 4 3 2 1.542 96.846 27.94 0.2430
7 H2 H1 E 6 4 3 1.091 110.263 89.84 0.0000
8 C3 Cg 3 6 4 3 1.542 108.951 -149.17 0.1820
9 H3 H1 E 8 6 4 1.092 107.999 -65.80 0.0000
10 C4 Cg 3 8 6 4 1.543 112.684 54.72 0.3880
11 H4 H1 E 10 8 6 1.092 109.930 71.13 0.0000
12 C5 Cg 3 10 8 6 1.547 112.131 -51.25 0.1720
13 H5 H1 E 12 10 8 1.092 109.230 -69.17 0.0000
14 C6M Cg 3 12 10 8 1.530 114.214 169.13 0.0390
15 H3M Hc E 14 12 10 1.091 111.441 61.33 0.0000
16 H2M Hc E 14 12 10 1.091 111.709 -58.98 0.0000
17 H1M Hc E 14 12 10 1.091 111.297 -179.18 0.0000
18 O5 Os E 12 10 8 1.483 109.717 48.94 -0.4270
19 O4 Oh S 10 8 6 1.438 108.082 -169.72 -0.7280
20 H4O Ho E 19 10 8 0.960 109.440 -179.68 0.4320
21 O3 Oh S 8 6 4 1.440 109.222 177.05 -0.6650
22 H3O Ho E 21 8 6 0.960 109.425 178.23 0.4180
23 O2 Os M 6 4 3 1.446 108.900 -29.97 -0.4350
LOOP
O5 C1
DONE
2jA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 32.143 115.609 -131.35 -0.3880
5 C2 Cg B 4 3 2 1.436 107.605 124.51 0.1140
6 O6 Os S 5 4 3 1.482 105.995 -111.45 -0.5040
7 C6 Cg 3 6 5 4 1.489 118.583 -68.57 0.3680
8 H6A H1 E 7 6 5 1.091 108.585 71.14 0.0000
9 H6E H1 E 7 6 5 1.090 108.936 -171.67 0.0000
10 C5 Cg 3 7 6 5 1.541 111.422 -50.10 0.2730
11 H5 H1 E 10 7 6 1.091 109.320 -69.49 0.0000
12 O5 Oh S 10 7 6 1.453 108.662 172.04 -0.6990
13 H5O Ho E 12 10 7 0.965 108.090 -177.58 0.4190
14 C4 Cg 3 10 7 6 1.547 110.532 51.66 0.2810
15 H4 H1 E 14 10 7 1.091 108.842 63.65 0.0000
16 O4 Oh S 14 10 7 1.460 110.450 -178.37 -0.6720
17 H4O Ho E 16 14 10 0.964 109.388 -155.63 0.4130
18 C3 Cg B 14 10 7 1.550 111.417 -56.44 0.2710
19 H3 H1 E 18 14 10 1.091 109.045 176.24 0.0000
20 O3 Oh S 18 14 10 1.458 108.952 -66.09 -0.6540
21 H3O Ho E 20 18 14 0.966 107.634 -43.74 0.4250
22 C1 Cg 3 5 4 3 1.562 107.302 6.60 0.4100
23 H11 H1 E 22 5 4 1.091 110.432 -54.56 0.0000
24 H12 H1 E 22 5 4 1.091 109.780 64.37 0.0000
25 O1 Oh S 22 5 4 1.437 111.258 -175.29 -0.6560
26 H1O Ho E 25 22 5 0.970 105.489 -31.79 0.4050
LOOP
C3 C2
DONE
2jB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 32.161 115.934 -131.72 -0.3880
5 C2 Cg B 4 3 2 1.432 133.702 -58.89 0.4130
6 C1 Cg 3 5 4 3 1.565 107.007 -11.65 0.2800
7 H11 H1 E 6 5 4 1.089 110.419 -168.27 0.0000
8 H12 H1 E 6 5 4 1.091 109.821 -50.14 0.0000
9 O1 Oh S 6 5 4 1.444 112.820 71.31 -0.7220
10 H1O Ho E 9 6 5 0.965 107.671 -41.74 0.4320
11 C3 Cg 3 5 4 3 1.569 109.521 -133.16 0.3630
12 H3 H1 E 11 5 4 1.091 109.772 68.90 0.0000
13 C4 Cg 3 11 5 4 1.551 110.614 -170.08 0.1550
14 H4 H1 E 13 11 5 1.090 108.392 -65.40 0.0000
15 C5 Cg 3 13 11 5 1.550 111.966 54.12 0.3740
16 H5 H1 E 15 13 11 1.091 109.534 68.96 0.0000
17 C6 Cg 3 15 13 11 1.547 111.895 -52.01 0.2920
18 H6A H1 E 17 15 13 1.091 110.065 -70.83 0.0000
19 H6E H1 E 17 15 13 1.090 109.985 170.44 0.0000
20 O6 Os E 17 15 13 1.484 111.063 49.63 -0.5510
21 O5 Oh S 15 13 11 1.455 108.361 -172.59 -0.7290
22 H5O Ho E 21 15 13 0.962 111.074 69.64 0.4260
23 O4 Oh S 13 11 5 1.459 109.947 177.92 -0.6840
24 H4O Ho E 23 13 11 0.968 109.165 -169.60 0.4380
25 O3 Oh S 11 5 4 1.461 111.127 -50.93 -0.7250
26 H3O Ho E 25 11 5 0.967 106.570 -171.29 0.4320
LOOP
O6 C2
DONE
2jD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 32.267 115.375 -131.90 -0.3880
5 C2 Cg B 4 3 2 1.437 73.705 143.26 0.1920
6 O5 Os S 5 4 3 1.567 105.400 -104.05 -0.4100
7 C5 Cg 3 6 5 4 1.585 113.292 -102.85 0.1900
8 H5 H1 E 7 6 5 1.091 109.254 118.42 0.0000
9 C6 Cg 3 7 6 5 1.542 109.417 -121.68 0.3400
10 H61 H1 E 9 7 6 1.090 110.186 170.13 0.0000
11 H62 H1 E 9 7 6 1.090 110.250 50.63 0.0000
12 O6 Oh S 9 7 6 1.441 110.517 -70.42 -0.7250
13 H6O Ho E 12 9 7 0.959 110.296 -58.30 0.4250
14 C4 Cg 3 7 6 5 1.625 104.597 1.92 0.2330
15 H4 H1 E 14 7 6 1.090 107.076 101.60 0.0000
16 O4 Oh S 14 7 6 1.458 113.707 -139.62 -0.6710
17 H4O Ho E 16 14 7 0.965 110.086 -134.30 0.4140
18 C3 Cg B 14 7 6 1.642 107.375 -13.44 0.3930
19 H3 H1 E 18 14 7 1.091 111.073 142.12 0.0000
20 O3 Oh S 18 14 7 1.455 107.927 -98.38 -0.7480
21 H3O Ho E 20 18 14 0.969 106.278 -23.03 0.4460
22 C1 Cg 3 5 4 3 1.554 109.050 16.41 0.3890
23 H11 H1 E 22 5 4 1.091 110.219 -56.55 0.0000
24 H12 H1 E 22 5 4 1.091 109.769 62.44 0.0000
25 O1 Oh S 22 5 4 1.438 111.155 -177.27 -0.6540
26 H1O Ho E 25 22 5 0.969 105.999 -50.29 0.3800
LOOP
C3 C2
DONE
2jU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 32.987 115.928 -131.30 -0.3880
5 C2 Cg B 4 3 2 1.442 108.945 -57.79 0.3510
6 C1 Cg 3 5 4 3 1.554 109.500 -7.14 0.3330
7 H11 H1 E 6 5 4 1.090 109.574 -179.89 0.0000
8 H12 H1 E 6 5 4 1.090 110.121 -61.30 0.0000
9 O1 Oh S 6 5 4 1.448 111.622 59.75 -0.6970
10 H1O Ho E 9 6 5 0.961 109.656 173.81 0.4150
11 C3 Cg 3 5 4 3 1.643 111.468 -130.55 0.2230
12 H3 H1 E 11 5 4 1.090 111.499 109.31 0.0000
13 C4 Cg 3 11 5 4 1.639 106.529 -129.94 0.2840
14 H4 H1 E 13 11 5 1.091 107.844 -100.60 0.0000
15 C5 Cg 3 13 11 5 1.619 107.844 15.28 0.1000
16 H5 H1 E 15 13 11 1.089 109.205 -129.69 0.0000
17 C6 Cg 3 15 13 11 1.537 115.282 106.51 0.3490
18 H61 H1 E 17 15 13 1.090 111.054 58.46 0.0000
19 H62 H1 E 17 15 13 1.089 110.316 -62.25 0.0000
20 O6 Oh S 17 15 13 1.435 108.026 178.22 -0.6840
21 H6O Ho E 20 17 15 0.962 107.568 44.32 0.4110
22 O5 Os E 15 13 11 1.585 104.895 -12.75 -0.3890
23 O4 Oh S 13 11 5 1.442 112.118 140.35 -0.6570
24 H4O Ho E 23 13 11 0.969 105.977 -9.00 0.4100
25 O3 Oh S 11 5 4 1.460 110.322 -11.55 -0.6710
26 H3O Ho E 25 11 5 0.971 106.808 11.93 0.4160
LOOP
O5 C2
DONE
2kA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Oh S 9 7 6 1.434 108.908 -64.18 -0.6910
13 H6O Ho E 12 9 7 0.960 109.471 -59.53 0.4220
14 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
15 H4 H1 E 14 7 6 1.091 109.347 173.46 0.0000
16 O4 Oh S 14 7 6 1.440 109.315 -68.60 -0.7120
17 H4O Ho E 16 14 7 0.960 109.466 -58.47 0.4200
18 C3 Cg M 14 7 6 1.541 113.058 50.90 0.3540
19 H3 H1 E 18 14 7 1.091 110.148 -170.51 0.0000
20 O3 Oh S 18 14 7 1.440 107.217 72.05 -0.7440
21 H3O Ho E 20 18 14 0.960 109.437 179.14 0.4360
22 C2 Cg M 18 14 7 1.544 111.196 -48.50 0.2810
23 H2 H1 E 22 18 14 1.091 106.696 -68.80 0.0000
24 O2 Os M 22 18 14 1.439 110.836 175.80 -0.4830
LOOP
C2 C1
DONE
2kB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 C3 Cg 3 6 4 3 1.547 110.415 140.23 0.2530
9 H3 H1 E 8 6 4 1.091 109.195 174.71 0.0000
10 C4 Cg 3 8 6 4 1.545 111.988 53.40 0.2170
11 H4 H1 E 10 8 6 1.091 109.393 -172.98 0.0000
12 C5 Cg 3 10 8 6 1.553 111.117 -52.75 0.3030
13 H5 H1 E 12 10 8 1.092 107.789 -66.12 0.0000
14 C6 Cg 3 12 10 8 1.542 113.025 175.07 0.2590
15 H61 H1 E 14 12 10 1.090 110.096 53.77 0.0000
16 H62 H1 E 14 12 10 1.090 110.533 -65.83 0.0000
17 O6 Oh S 14 12 10 1.441 110.162 173.71 -0.6700
18 H6O Ho E 17 14 12 0.962 108.273 57.74 0.4160
19 O5 Os E 12 10 8 1.499 110.891 51.77 -0.5140
20 O4 Oh S 10 8 6 1.455 108.780 69.68 -0.7000
21 H4O Ho E 20 10 8 0.964 110.377 74.31 0.4250
22 O3 Oh S 8 6 4 1.452 110.271 -66.88 -0.7100
23 H3O Ho E 22 8 6 0.968 107.267 -52.72 0.4420
24 O2 Os M 6 4 3 1.462 111.766 18.28 -0.4780
LOOP
O5 C1
DONE
2lA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Oh S 9 7 6 1.434 108.858 -64.45 -0.6840
13 H6O Ho E 12 9 7 0.960 109.466 -59.52 0.4180
14 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
15 H4 H1 E 14 7 6 1.091 109.671 175.54 0.0000
16 O4 Oh S 14 7 6 1.445 108.372 -65.83 -0.6730
17 H4O Ho E 16 14 7 0.960 109.470 -59.12 0.4360
18 C3 Cg M 14 7 6 1.544 110.422 54.45 0.2530
19 H3 H1 E 18 14 7 1.091 108.559 66.00 0.0000
20 O3 Oh S 18 14 7 1.440 109.147 -176.39 -0.7010
21 H3O Ho E 20 18 14 0.960 109.438 -179.39 0.4330
22 C2 Cg M 18 14 7 1.541 111.714 -54.48 0.3390
23 H2 H1 E 22 18 14 1.091 108.995 -66.63 0.0000
24 O2 Os M 22 18 14 1.440 110.049 175.31 -0.4870
LOOP
C2 C1
DONE
2lB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 C3 Cg 3 6 4 3 1.547 110.130 140.44 0.2590
9 H3 H1 E 8 6 4 1.092 108.676 -66.21 0.0000
10 C4 Cg 3 8 6 4 1.546 112.254 53.31 0.2030
11 H4 H1 E 10 8 6 1.091 109.260 -175.38 0.0000
12 C5 Cg 3 10 8 6 1.545 110.517 -55.04 0.1400
13 H5 H1 E 12 10 8 1.092 107.648 -63.90 0.0000
14 C6 Cg 3 12 10 8 1.539 113.155 176.88 0.3190
15 H61 H1 E 14 12 10 1.090 110.337 53.86 0.0000
16 H62 H1 E 14 12 10 1.091 110.848 -66.38 0.0000
17 O6 Oh S 14 12 10 1.437 109.027 173.44 -0.6930
18 H6O Ho E 17 14 12 0.961 107.830 58.33 0.4190
19 O5 Os E 12 10 8 1.495 110.103 53.62 -0.4020
20 O4 Oh S 10 8 6 1.449 109.638 65.91 -0.6640
21 H4O Ho E 20 10 8 0.967 107.158 51.40 0.4370
22 O3 Oh S 8 6 4 1.455 110.815 175.60 -0.6940
23 H3O Ho E 22 8 6 0.967 107.449 52.82 0.4330
24 O2 Os M 6 4 3 1.459 109.860 20.73 -0.4880
LOOP
O5 C1
DONE
2mA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Oh S 9 7 6 1.444 110.952 -70.49 -0.6880
13 H6O Ho E 12 9 7 0.960 109.923 -72.72 0.4220
14 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
15 H4 H1 E 14 7 6 1.091 109.924 -69.18 0.0000
16 O4 Oh S 14 7 6 1.452 108.824 171.70 -0.7330
17 H4O Ho E 16 14 7 0.966 107.267 -173.46 0.4380
18 C3 Cg M 14 7 6 1.549 110.605 52.31 0.2520
19 H3 H1 E 18 14 7 1.092 108.663 62.49 0.0000
20 O3 Oh S 18 14 7 1.461 110.813 -179.59 -0.6960
21 H3O Ho E 20 18 14 0.964 109.699 -161.58 0.4310
22 C2 Cg M 18 14 7 1.545 111.609 -57.15 0.2450
23 H2 H1 E 22 18 14 1.091 109.207 175.17 0.0000
24 O2 Os M 22 18 14 1.459 109.731 -66.73 -0.4650
LOOP
C2 C1
DONE
2mB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 C3 Cg 3 6 4 3 1.547 107.300 140.06 0.2630
9 H3 H1 E 8 6 4 1.092 107.890 -58.13 0.0000
10 C4 Cg 3 8 6 4 1.553 110.623 60.52 0.3490
11 H4 H1 E 10 8 6 1.091 109.997 63.90 0.0000
12 C5 Cg 3 10 8 6 1.550 110.419 -57.43 0.2060
13 H5 H1 E 12 10 8 1.092 108.705 -67.76 0.0000
14 C6 Cg 3 12 10 8 1.539 111.873 172.30 0.2730
15 H61 H1 E 14 12 10 1.090 110.558 59.60 0.0000
16 H62 H1 E 14 12 10 1.091 110.262 -60.18 0.0000
17 O6 Oh S 14 12 10 1.439 109.850 179.68 -0.6800
18 H6O Ho E 17 14 12 0.962 108.414 55.86 0.4190
19 O5 Os E 12 10 8 1.498 110.843 50.51 -0.3930
20 O4 Oh S 10 8 6 1.452 109.624 -176.73 -0.7460
21 H4O Ho E 20 10 8 0.963 108.380 -79.71 0.4430
22 O3 Oh S 8 6 4 1.457 110.746 -174.70 -0.6920
23 H3O Ho E 22 8 6 0.962 109.624 154.41 0.4300
24 O2 Os M 6 4 3 1.459 109.767 -99.50 -0.4270
LOOP
O5 C1
DONE
2nA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Oh S 9 7 6 1.434 109.011 -63.74 -0.6630
13 H6O Ho E 12 9 7 0.960 109.493 -59.88 0.3960
14 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
15 H4 H1 E 14 7 6 1.091 108.424 -67.01 0.0000
16 O4 Oh S 14 7 6 1.439 109.651 175.64 -0.7330
17 H4O Ho E 16 14 7 0.960 109.442 -61.75 0.4440
18 C3 Cg M 14 7 6 1.543 113.659 53.11 0.3300
19 H3 H1 E 18 14 7 1.091 110.022 -173.93 0.0000
20 O3 Oh S 18 14 7 1.445 109.798 66.31 -0.7140
21 H3O Ho E 20 18 14 0.960 109.446 64.20 0.4410
22 C2 Cg M 18 14 7 1.541 108.602 -53.52 0.2280
23 H2 H1 E 22 18 14 1.091 106.837 -65.32 0.0000
24 O2 Os M 22 18 14 1.439 110.703 179.06 -0.4470
LOOP
C2 C1
DONE
2nB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 C3 Cg 3 6 4 3 1.544 110.844 141.66 0.2340
9 H3 H1 E 8 6 4 1.092 109.398 175.17 0.0000
10 C4 Cg 3 8 6 4 1.546 109.920 54.68 0.2860
11 H4 H1 E 10 8 6 1.091 108.699 62.12 0.0000
12 C5 Cg 3 10 8 6 1.547 111.303 -57.50 0.1980
13 H5 H1 E 12 10 8 1.091 109.233 -61.92 0.0000
14 C6 Cg 3 12 10 8 1.541 112.741 177.70 0.3130
15 H61 H1 E 14 12 10 1.090 110.689 61.33 0.0000
16 H62 H1 E 14 12 10 1.090 110.338 -58.85 0.0000
17 O6 Oh S 14 12 10 1.438 109.178 -178.76 -0.6890
18 H6O Ho E 17 14 12 0.962 107.694 47.58 0.4180
19 O5 Os E 12 10 8 1.500 108.536 56.16 -0.5070
20 O4 Oh S 10 8 6 1.447 109.608 179.74 -0.7070
21 H4O Ho E 20 10 8 0.966 108.053 38.89 0.4300
22 O3 Oh S 8 6 4 1.458 109.599 -65.98 -0.6150
23 H3O Ho E 22 8 6 0.967 107.516 -48.26 0.3890
24 O2 Os M 6 4 3 1.458 111.714 19.64 -0.4730
LOOP
O5 C1
DONE
2oA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.463 117.245 -129.47 0.3050
5 H1 H2 E 4 3 2 1.090 34.578 150.44 0.0000
6 O5 Os M 4 3 2 1.471 105.819 50.53 -0.4240
7 C5 Cg M 6 4 3 1.515 118.146 -155.23 0.0540
8 H5 H1 E 7 6 4 1.092 107.817 65.63 0.0000
9 C6 C B 7 6 4 1.566 116.761 -173.10 0.8960
10 O6B O2 E 9 7 6 1.255 117.285 49.97 -0.8220
11 O6A O2 E 9 7 6 1.252 116.529 -135.07 -0.8220
12 C4 Cg M 7 6 4 1.540 109.060 -52.35 0.2670
13 H4 H1 E 12 7 6 1.091 109.560 176.88 0.0000
14 O4 Oh S 12 7 6 1.455 107.562 -64.91 -0.7040
15 H4O Ho E 14 12 7 0.981 106.629 -34.53 0.4290
16 C3 Cg M 12 7 6 1.551 109.735 56.67 0.2510
17 H3 H1 E 16 12 7 1.092 108.010 56.95 0.0000
18 O3 Oh S 16 12 7 1.460 111.816 174.01 -0.7250
19 H3O Ho E 18 16 12 0.964 107.278 157.34 0.4160
20 C2 Cg M 16 12 7 1.548 110.284 -61.11 0.4130
21 H2 H1 E 20 16 12 1.091 109.347 -64.48 0.0000
22 O2 Os M 20 16 12 1.464 110.220 176.88 -0.5340
LOOP
C2 C1
DONE
2oB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.219 115.043 -133.41 0.3010
5 H1 H2 E 4 3 2 1.091 63.366 -68.89 0.0000
6 C2 Cg M 4 3 2 1.559 138.871 -159.91 0.3830
7 H2 H1 E 6 4 3 1.091 109.614 -94.43 0.0000
8 C3 Cg 3 6 4 3 1.553 110.962 144.51 0.2590
9 H3 H1 E 8 6 4 1.092 108.228 -67.30 0.0000
10 C4 Cg 3 8 6 4 1.548 111.733 51.56 0.2600
11 H4 H1 E 10 8 6 1.091 108.447 -176.52 0.0000
12 C5 Cg 3 10 8 6 1.538 110.856 -55.81 0.0490
13 H5 H1 E 12 10 8 1.092 107.135 -59.52 0.0000
14 C6 C B 12 10 8 1.574 110.283 -172.73 0.8380
15 O6A O2 E 14 12 10 1.254 118.706 -136.36 -0.7940
16 O6B O2 E 14 12 10 1.256 116.247 49.13 -0.7940
17 O5 Os E 12 10 8 1.506 109.239 55.41 -0.4140
18 O4 Oh S 10 8 6 1.450 109.430 65.27 -0.6610
19 H4O Ho E 18 10 8 0.961 107.547 51.96 0.4020
20 O3 Oh S 8 6 4 1.466 112.472 174.09 -0.7080
21 H3O Ho E 20 8 6 0.961 109.065 156.60 0.4040
22 O2 Os M 6 4 3 1.460 107.566 23.78 -0.5250
LOOP
O5 C1
DONE
2pA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 37.824 123.397 -139.13 -0.3880
5 C2 Cg B 4 3 2 1.441 100.262 169.48 0.4170
6 O6 Os S 5 4 3 1.488 110.368 -132.69 -0.5980
7 C6 Cg 3 6 5 4 1.482 118.332 -69.31 0.3930
8 H6A H1 E 7 6 5 1.091 109.250 66.45 0.0000
9 H6E H1 E 7 6 5 1.090 109.091 -175.40 0.0000
10 C5 Cg 3 7 6 5 1.536 109.077 -54.75 0.1530
11 H5 H1 E 10 7 6 1.091 108.321 -65.28 0.0000
12 O5 Oh S 10 7 6 1.437 108.893 177.77 -0.6930
13 H5O Ho E 12 10 7 0.960 109.495 178.45 0.4280
14 C4 Cg 3 10 7 6 1.541 113.177 55.00 0.3940
15 H4 H1 E 14 10 7 1.091 110.012 -174.96 0.0000
16 O4 Oh S 14 10 7 1.445 109.714 65.32 -0.7020
17 H4O Ho E 16 14 10 0.960 109.435 -179.19 0.4320
18 C3 Cg B 14 10 7 1.543 108.511 -54.52 0.1500
19 H3 H1 E 18 14 10 1.091 106.088 -66.29 0.0000
20 O3 Oh S 18 14 10 1.441 110.125 178.95 -0.6650
21 H3O Ho E 20 18 14 0.960 109.411 -65.90 0.4090
22 C1 Cg 3 5 4 3 1.541 105.285 -16.67 0.3270
23 H11 H1 E 22 5 4 1.091 110.426 -58.16 0.0000
24 H12 H1 E 22 5 4 1.091 110.581 61.43 0.0000
25 O1 Oh S 22 5 4 1.436 110.176 -178.22 -0.6440
26 H1O Ho E 25 22 5 0.960 109.427 -60.11 0.3930
LOOP
C3 C2
DONE
2pB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 32.440 116.269 -131.57 -0.3880
5 C2 Cg B 4 3 2 1.428 124.453 -54.93 0.4070
6 C1 Cg 3 5 4 3 1.572 108.289 -11.70 0.3790
7 H11 H1 E 6 5 4 1.088 110.382 -177.73 0.0000
8 H12 H1 E 6 5 4 1.091 110.003 -59.17 0.0000
9 O1 Oh S 6 5 4 1.452 112.720 61.98 -0.7200
10 H1O Ho E 9 6 5 0.961 109.403 178.93 0.4100
11 C3 Cg 3 5 4 3 1.562 106.714 -136.24 0.1800
12 H3 H1 E 11 5 4 1.092 107.885 -44.43 0.0000
13 C4 Cg 3 11 5 4 1.548 113.222 -161.55 0.3280
14 H4 H1 E 13 11 5 1.091 109.035 170.62 0.0000
15 C5 Cg 3 13 11 5 1.546 111.648 50.00 0.1880
16 H5 H1 E 15 13 11 1.091 108.531 65.60 0.0000
17 C6 Cg 3 15 13 11 1.540 111.137 -53.12 0.3640
18 H6A H1 E 17 15 13 1.091 110.957 -65.43 0.0000
19 H6E H1 E 17 15 13 1.090 110.095 174.89 0.0000
20 O6 Os E 17 15 13 1.483 108.996 55.37 -0.5400
21 O5 Oh S 15 13 11 1.454 110.567 -176.42 -0.7050
22 H5O Ho E 21 15 13 0.967 108.400 37.89 0.4330
23 O4 Oh S 13 11 5 1.453 109.303 -71.38 -0.6980
24 H4O Ho E 23 13 11 0.967 106.113 -55.83 0.4270
25 O3 Oh S 11 5 4 1.462 112.137 73.04 -0.6810
26 H3O Ho E 25 11 5 0.967 108.335 -65.45 0.4220
LOOP
O6 C2
DONE
2pD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 38.059 123.158 -139.34 -0.3880
5 C2 Cg B 4 3 2 1.437 59.843 174.87 0.3240
6 O5 Os S 5 4 3 1.578 109.031 -122.78 -0.4530
7 C5 Cg 3 6 5 4 1.580 112.574 -104.97 0.1940
8 H5 H1 E 7 6 5 1.092 109.225 119.03 0.0000
9 C6 Cg 3 7 6 5 1.529 108.517 -121.64 0.2910
10 H61 H1 E 9 7 6 1.090 110.281 176.00 0.0000
11 H62 H1 E 9 7 6 1.091 110.695 55.73 0.0000
12 O6 Oh S 9 7 6 1.433 108.604 -64.48 -0.6950
13 H6O Ho E 12 9 7 0.960 109.454 -59.02 0.4110
14 C4 Cg 3 7 6 5 1.626 105.532 -0.49 0.2820
15 H4 H1 E 14 7 6 1.091 112.773 -134.13 0.0000
16 O4 Oh S 14 7 6 1.437 105.885 105.93 -0.6830
17 H4O Ho E 16 14 7 0.960 109.464 -177.78 0.4210
18 C3 Cg B 14 7 6 1.629 106.867 -10.85 0.3340
19 H3 H1 E 18 14 7 1.090 106.567 -97.07 0.0000
20 O3 Oh S 18 14 7 1.441 113.670 145.25 -0.6610
21 H3O Ho E 20 18 14 0.960 109.502 57.68 0.4150
22 C1 Cg 3 5 4 3 1.533 107.382 -3.35 0.2860
23 H11 H1 E 22 5 4 1.091 110.553 -56.03 0.0000
24 H12 H1 E 22 5 4 1.091 110.436 64.00 0.0000
25 O1 Oh S 22 5 4 1.434 109.386 -175.92 -0.6910
26 H1O Ho E 25 22 5 0.960 109.478 -179.30 0.4190
LOOP
C3 C2
DONE
2pU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O2 Os M 3 2 1 38.386 123.789 -139.28 -0.3880
5 C2 Cg B 4 3 2 1.437 114.612 -29.82 0.2880
6 C1 Cg 3 5 4 3 1.541 107.880 23.64 0.3650
7 H11 H1 E 6 5 4 1.090 109.918 -173.46 0.0000
8 H12 H1 E 6 5 4 1.091 110.660 -54.05 0.0000
9 O1 Oh S 6 5 4 1.437 110.203 66.84 -0.6870
10 H1O Ho E 9 6 5 0.960 109.513 -179.45 0.4180
11 C3 Cg 3 5 4 3 1.631 106.460 -102.87 0.3340
12 H3 H1 E 11 5 4 1.091 109.543 -7.30 0.0000
13 C4 Cg 3 11 5 4 1.631 107.756 -123.45 0.1920
14 H4 H1 E 13 11 5 1.091 111.099 133.10 0.0000
15 C5 Cg 3 13 11 5 1.623 107.338 10.25 0.3690
16 H5 H1 E 15 13 11 1.092 111.285 -129.81 0.0000
17 C6 Cg 3 15 13 11 1.529 112.798 106.76 0.2150
18 H61 H1 E 17 15 13 1.090 110.301 60.35 0.0000
19 H62 H1 E 17 15 13 1.091 110.659 -59.91 0.0000
20 O6 Oh S 17 15 13 1.433 108.649 179.93 -0.6780
21 H6O Ho E 20 17 15 0.960 109.500 -58.51 0.4210
22 O5 Os E 15 13 11 1.576 105.494 -11.41 -0.4800
23 O4 Oh S 13 11 5 1.438 110.850 -105.23 -0.7110
24 H4O Ho E 23 13 11 0.960 109.445 -179.82 0.4380
25 O3 Oh S 11 5 4 1.441 112.255 111.74 -0.7140
26 H3O Ho E 25 11 5 0.960 109.493 177.90 0.4240
LOOP
O5 C2
DONE
2qA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.363 114.978 -133.03 0.4650
5 H1 H1 E 4 3 2 1.090 121.763 32.99 0.0000
6 O5 Os M 4 3 2 1.467 70.798 -67.46 -0.5590
7 C5 Cg M 6 4 3 1.487 117.291 -66.87 0.2340
8 H5 H1 E 7 6 4 1.092 108.269 65.21 0.0000
9 C6 Cg 3 7 6 4 1.531 106.976 -178.31 0.0600
10 H61 Hc E 9 7 6 1.091 111.279 -57.12 0.0000
11 H62 Hc E 9 7 6 1.091 111.508 -176.59 0.0000
12 H63 Hc E 9 7 6 1.091 111.703 63.05 0.0000
13 C4 Cg M 7 6 4 1.546 110.112 -53.83 0.2080
14 H4 H1 E 13 7 6 1.092 109.076 -69.57 0.0000
15 O4 Oh S 13 7 6 1.456 108.902 171.97 -0.6640
16 H4O Ho E 15 13 7 0.963 110.329 76.40 0.4030
17 C3 Cg M 13 7 6 1.550 111.848 51.22 0.3120
18 H3 H1 E 17 13 7 1.092 109.484 68.56 0.0000
19 O3 Oh S 17 13 7 1.451 107.191 -173.73 -0.6970
20 H3O Ho E 19 17 13 0.963 107.525 -56.57 0.4240
21 C2 Cg M 17 13 7 1.550 112.115 -52.85 0.2810
22 H2 H1 E 21 17 13 1.091 108.369 -65.92 0.0000
23 O2 Os M 21 17 13 1.464 112.236 175.32 -0.4670
LOOP
C2 C1
DONE
2qB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.342 114.850 -133.09 0.3910
5 H1 H1 E 4 3 2 1.091 66.637 -64.20 0.0000
6 C2 Cg M 4 3 2 1.554 136.503 -160.98 0.3230
7 H2 H1 E 6 4 3 1.092 109.276 -93.94 0.0000
8 C3 Cg 3 6 4 3 1.546 109.870 145.94 0.3000
9 H3 H1 E 8 6 4 1.092 108.841 -69.08 0.0000
10 C4 Cg 3 8 6 4 1.549 112.577 51.86 0.2500
11 H4 H1 E 10 8 6 1.092 109.316 68.82 0.0000
12 C5 Cg 3 10 8 6 1.548 111.410 -52.00 0.2710
13 H5 H1 E 12 10 8 1.092 109.263 -66.11 0.0000
14 C6 Cg 3 12 10 8 1.530 114.065 172.27 0.0480
15 H61 Hc E 14 12 10 1.091 111.262 -178.50 0.0000
16 H62 Hc E 14 12 10 1.091 111.509 62.03 0.0000
17 H63 Hc E 14 12 10 1.091 111.710 -58.34 0.0000
18 O5 Os E 12 10 8 1.486 109.336 52.29 -0.5350
19 O4 Oh S 10 8 6 1.451 109.144 -172.28 -0.7130
20 H4O Ho E 19 10 8 0.966 107.748 -53.29 0.4210
21 O3 Oh S 8 6 4 1.454 109.133 172.74 -0.6890
22 H3O Ho E 21 8 6 0.966 107.391 52.07 0.4200
23 O2 Os M 6 4 3 1.460 110.327 25.57 -0.4870
LOOP
O5 C1
DONE
2rA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.108 125.437 -138.65 0.4880
5 H1 H2 E 4 3 2 1.090 34.452 139.99 0.0000
6 O5 Os M 4 3 2 1.483 136.062 95.09 -0.5610
7 C5 Cg M 6 4 3 1.483 117.768 -164.72 0.3770
8 H5A H1 E 7 6 4 1.091 109.204 66.57 0.0000
9 H5E H1 E 7 6 4 1.090 109.080 -175.36 0.0000
10 C4 Cg M 7 6 4 1.537 109.246 -54.64 0.1220
11 H4 H1 E 10 7 6 1.091 108.264 -65.95 0.0000
12 O4 Oh S 10 7 6 1.437 108.837 177.17 -0.6630
13 H4O Ho E 12 10 7 0.960 109.433 -61.56 0.4190
14 C3 Cg M 10 7 6 1.542 113.340 54.31 0.3450
15 H3 H1 E 14 10 7 1.091 110.108 -174.25 0.0000
16 O3 Oh S 14 10 7 1.445 109.754 65.90 -0.7370
17 H3O Ho E 16 14 10 0.960 109.441 63.11 0.4430
18 C2 Cg M 14 10 7 1.542 108.334 -53.79 0.2530
19 H2 H1 E 18 14 10 1.091 106.798 -65.63 0.0000
20 O2 Os M 18 14 10 1.439 110.674 178.86 -0.4860
LOOP
C2 C1
DONE
2rB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.205 115.033 -133.24 0.4810
5 H1 H2 E 4 3 2 1.090 58.746 -70.52 0.0000
6 C2 Cg M 4 3 2 1.563 140.544 -157.28 0.3850
7 H2 H1 E 6 4 3 1.092 108.121 -109.69 0.0000
8 C3 Cg 3 6 4 3 1.550 109.259 132.95 0.2030
9 H3 H1 E 8 6 4 1.091 109.709 178.53 0.0000
10 C4 Cg 3 8 6 4 1.548 108.635 58.66 0.2360
11 H4 H1 E 10 8 6 1.091 108.914 60.36 0.0000
12 C5 Cg 3 10 8 6 1.549 110.878 -58.91 0.3350
13 H5A H1 E 12 10 8 1.091 110.751 -65.58 0.0000
14 H5E H1 E 12 10 8 1.090 110.011 175.14 0.0000
15 O5 Os E 12 10 8 1.488 109.926 55.20 -0.5760
16 O4 Oh S 10 8 6 1.453 110.299 178.35 -0.6950
17 H4O Ho E 16 10 8 0.963 110.348 -71.99 0.4110
18 O3 Oh S 8 6 4 1.460 111.251 -60.93 -0.6960
19 H3O Ho E 18 8 6 0.965 108.989 176.00 0.4280
20 O2 Os M 6 4 3 1.459 113.253 8.58 -0.5120
LOOP
O5 C1
DONE
2rD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 31.783 117.445 -130.09 0.4450
5 H1 H2 E 4 3 2 1.090 21.504 -157.11 0.0000
6 O4 Os M 4 3 2 1.561 97.975 72.12 -0.5130
7 C4 Cg M 6 4 3 1.590 113.384 153.92 0.3270
8 H4 H1 E 7 6 4 1.091 109.128 114.99 0.0000
9 C5 Cg 3 7 6 4 1.540 110.745 -124.36 0.1950
10 H51 H1 E 9 7 6 1.090 109.790 172.36 0.0000
11 H52 H1 E 9 7 6 1.090 109.854 53.62 0.0000
12 O5 Oh S 9 7 6 1.441 111.480 -67.27 -0.6670
13 H5O Ho E 12 9 7 0.961 110.927 -63.80 0.4080
14 C3 Cg M 7 6 4 1.627 104.801 -3.59 0.2750
15 H3 H1 E 14 7 6 1.090 111.845 -130.65 0.0000
16 O3 Oh S 14 7 6 1.452 108.122 109.49 -0.7390
17 H3O Ho E 16 14 7 0.969 108.678 -102.78 0.4380
18 C2 Cg M 14 7 6 1.641 107.074 -9.06 0.3180
19 H2 H1 E 18 14 7 1.090 106.590 -95.30 0.0000
20 O2 Os M 18 14 7 1.461 113.571 147.17 -0.4870
LOOP
C2 C1
DONE
2rU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.407 114.701 -133.21 0.3780
5 H1 H1 E 4 3 2 1.091 84.946 -59.46 0.0000
6 C2 Cg M 4 3 2 1.633 131.021 -175.92 0.2930
7 H2 H1 E 6 4 3 1.091 111.731 -2.35 0.0000
8 C3 Cg 3 6 4 3 1.643 106.357 -122.88 0.2890
9 H3 H1 E 8 6 4 1.091 108.114 103.55 0.0000
10 C4 Cg 3 8 6 4 1.616 107.735 -14.49 0.1020
11 H4 H1 E 10 8 6 1.091 109.546 -104.49 0.0000
12 C5 Cg 3 10 8 6 1.534 112.497 133.15 0.3380
13 H51 H1 E 12 10 8 1.090 110.394 -65.27 0.0000
14 H52 H1 E 12 10 8 1.090 110.006 54.34 0.0000
15 O5 Oh S 12 10 8 1.436 109.887 174.05 -0.6920
16 H5O Ho E 15 12 10 0.959 109.586 -178.63 0.4150
17 O4 Os E 10 8 6 1.587 104.949 11.40 -0.4240
18 O3 Oh S 8 6 4 1.443 112.608 -136.62 -0.6830
19 H3O Ho E 18 8 6 0.968 106.484 22.47 0.4280
20 O2 Os M 6 4 3 1.462 109.045 117.82 -0.4440
LOOP
O4 C1
DONE
2tA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Oh S 9 7 6 1.434 108.863 -64.48 -0.6690
13 H6O Ho E 12 9 7 0.960 109.462 -59.57 0.4010
14 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
15 H4 H1 E 14 7 6 1.091 109.540 173.93 0.0000
16 O4 Oh S 14 7 6 1.443 109.067 -67.36 -0.7310
17 H4O Ho E 16 14 7 0.960 109.459 -59.56 0.4170
18 C3 Cg M 14 7 6 1.543 109.739 53.52 0.1240
19 H3 H1 E 18 14 7 1.091 106.734 65.74 0.0000
20 O3 Oh S 18 14 7 1.439 110.707 -178.75 -0.6870
21 H3O Ho E 20 18 14 0.960 109.479 -176.63 0.4420
22 C2 Cg M 18 14 7 1.545 114.910 -52.34 0.2450
23 H2 H1 E 22 18 14 1.091 109.723 171.12 0.0000
24 O2 Os M 22 18 14 1.440 110.347 -69.94 -0.4130
LOOP
C2 C1
DONE
2tB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 C3 Cg 3 6 4 3 1.545 108.990 139.13 0.1740
9 H3 H1 E 8 6 4 1.091 106.777 -66.52 0.0000
10 C4 Cg 3 8 6 4 1.547 114.890 51.64 0.3140
11 H4 H1 E 10 8 6 1.091 109.570 -171.49 0.0000
12 C5 Cg 3 10 8 6 1.547 110.218 -50.96 0.0310
13 H5 H1 E 12 10 8 1.092 107.394 -65.47 0.0000
14 C6 Cg 3 12 10 8 1.535 115.137 174.64 0.3490
15 H61 H1 E 14 12 10 1.090 110.278 53.24 0.0000
16 H62 H1 E 14 12 10 1.091 110.886 -67.01 0.0000
17 O6 Oh S 14 12 10 1.434 108.837 172.73 -0.6660
18 H6O Ho E 17 14 12 0.960 109.430 59.34 0.4060
19 O5 Os E 12 10 8 1.487 109.426 51.66 -0.3540
20 O4 Oh S 10 8 6 1.443 110.169 69.26 -0.6260
21 H4O Ho E 20 10 8 0.960 109.455 179.72 0.4130
22 O3 Oh S 8 6 4 1.439 110.677 177.92 -0.6780
23 H3O Ho E 22 8 6 0.960 109.373 -64.24 0.4250
24 O2 Os M 6 4 3 1.444 109.193 -100.97 -0.4340
LOOP
O5 C1
DONE
2tV INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.351 114.839 -132.95 0.4700
5 H1 H1 E 4 3 2 1.090 124.986 34.06 0.0000
6 O5 Os M 4 3 2 1.470 71.584 -66.23 -0.5160
7 C5 Cg M 6 4 3 1.490 117.436 -68.78 0.3010
8 H5 H1 E 7 6 4 1.092 108.176 67.65 0.0000
9 C6 Cg 3 7 6 4 1.530 106.823 -175.86 0.0070
10 H61 Hc E 9 7 6 1.091 111.306 -56.97 0.0000
11 H62 Hc E 9 7 6 1.091 111.681 63.21 0.0000
12 H63 Hc E 9 7 6 1.091 111.485 -176.46 0.0000
13 C4 Cg M 7 6 4 1.553 110.400 -51.43 0.3020
14 H4 H1 E 13 7 6 1.091 109.486 -67.87 0.0000
15 O4 Oh S 13 7 6 1.446 110.075 172.75 -0.7390
16 H4O Ho E 15 13 7 0.961 109.446 177.45 0.4390
17 C3 Cg M 13 7 6 1.535 112.112 53.80 -0.0140
18 H31 Hc E 17 13 7 1.093 110.620 -177.58 0.0000
19 H32 Hc E 17 13 7 1.093 110.093 66.30 0.0000
20 C2 Cg M 17 13 7 1.535 111.168 -54.29 0.1910
21 H2 H1 E 20 17 13 1.091 108.971 171.23 0.0000
22 O2 Os M 20 17 13 1.451 107.118 -72.88 -0.4410
LOOP
C2 C1
DONE
2tv INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 42.063 124.523 -153.51 0.4280
5 H1 H1 E 4 3 2 1.091 137.718 140.13 0.0000
6 C2 Cg M 4 3 2 1.543 92.512 17.53 0.2080
7 H2 H1 E 6 4 3 1.091 110.018 85.50 0.0000
8 C3 Cg 3 6 4 3 1.538 110.852 -153.13 0.0070
9 H31 Hc E 8 6 4 1.092 110.440 174.77 0.0000
10 H32 Hc E 8 6 4 1.093 108.417 -70.21 0.0000
11 C4 Cg 3 8 6 4 1.542 111.976 51.41 0.2960
12 H4 H1 E 11 8 6 1.091 109.168 71.88 0.0000
13 C5 Cg 3 11 8 6 1.544 113.120 -50.24 0.2710
14 H5 H1 E 13 11 8 1.092 109.438 -67.05 0.0000
15 C6 Cg 3 13 11 8 1.530 114.414 170.77 0.0170
16 H61 Hc E 15 13 11 1.091 111.431 62.00 0.0000
17 H62 Hc E 15 13 11 1.091 111.279 -178.53 0.0000
18 H63 Hc E 15 13 11 1.091 111.734 -58.32 0.0000
19 O5 Os E 13 11 8 1.481 108.725 51.10 -0.4960
20 O4 Oh S 11 8 6 1.436 107.645 -170.11 -0.7290
21 H4O Ho E 20 11 8 0.960 109.450 -178.68 0.4250
22 O2 Os M 6 4 3 1.442 110.000 -34.21 -0.4270
LOOP
O5 C1
DONE
2uA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.331 115.066 -133.04 0.3630
5 H1 H2 E 4 3 2 1.090 112.585 40.61 0.0000
6 O5 Os M 4 3 2 1.464 75.208 -64.60 -0.5150
7 C5 Cg M 6 4 3 1.503 115.778 174.97 0.2320
8 H5 H1 E 7 6 4 1.091 106.633 176.67 0.0000
9 C6 C B 7 6 4 1.591 118.545 -64.62 0.6970
10 O6B O2 E 9 7 6 1.255 117.111 177.25 -0.7570
11 O6A O2 E 9 7 6 1.252 118.306 0.19 -0.7570
12 C4 Cg M 7 6 4 1.541 106.777 61.95 0.2230
13 H4 H1 E 12 7 6 1.092 108.348 60.65 0.0000
14 O4 Oh S 12 7 6 1.461 110.851 178.69 -0.7110
15 H4O Ho E 14 12 7 0.984 107.477 28.92 0.3970
16 C3 Cg M 12 7 6 1.551 110.331 -57.99 0.4170
17 H3 H1 E 16 12 7 1.092 108.572 -66.35 0.0000
18 O3 Oh S 16 12 7 1.454 107.203 176.93 -0.7710
19 H3O Ho E 18 16 12 0.966 105.279 42.17 0.4170
20 C2 Cg M 16 12 7 1.555 113.490 54.77 0.2590
21 H2 H1 E 20 16 12 1.092 108.782 71.56 0.0000
22 O2 Os M 20 16 12 1.469 110.384 -169.42 -0.4940
LOOP
C2 C1
DONE
2uB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.227 114.589 -133.46 0.2780
5 H1 H2 E 4 3 2 1.090 72.253 -57.04 0.0000
6 C2 Cg M 4 3 2 1.557 131.485 -157.03 0.2890
7 H2 H1 E 6 4 3 1.091 107.118 137.49 0.0000
8 C3 Cg 3 6 4 3 1.545 111.752 -104.72 0.2860
9 H3 H1 E 8 6 4 1.091 110.248 64.55 0.0000
10 C4 Cg 3 8 6 4 1.552 109.635 -56.61 0.3080
11 H4 H1 E 10 8 6 1.092 107.907 -61.83 0.0000
12 C5 Cg 3 10 8 6 1.546 112.015 56.37 0.1940
13 H5 H1 E 12 10 8 1.091 107.278 -167.70 0.0000
14 C6 C B 12 10 8 1.581 111.637 77.65 0.7500
15 O6A O2 E 14 12 10 1.252 117.516 -129.70 -0.7830
16 O6B O2 E 14 12 10 1.255 117.682 48.62 -0.7830
17 O5 Os E 12 10 8 1.512 108.685 -52.87 -0.4300
18 O4 Oh S 10 8 6 1.456 110.245 -178.60 -0.7450
19 H4O Ho E 18 10 8 0.987 106.847 -97.51 0.4220
20 O3 Oh S 8 6 4 1.460 109.228 -175.94 -0.7550
21 H3O Ho E 20 8 6 0.968 105.498 164.14 0.4210
22 O2 Os M 6 4 3 1.455 112.599 20.48 -0.4520
LOOP
O5 C1
DONE
2xA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.412 115.134 -132.97 0.4820
5 H1 H2 E 4 3 2 1.090 123.148 41.70 0.0000
6 O5 Os M 4 3 2 1.463 72.514 -59.75 -0.5880
7 C5 Cg M 6 4 3 1.489 117.248 -67.03 0.3350
8 H5A H1 E 7 6 4 1.091 108.858 68.16 0.0000
9 H5E H1 E 7 6 4 1.090 108.909 -174.49 0.0000
10 C4 Cg M 7 6 4 1.539 111.025 -53.24 0.2470
11 H4 H1 E 10 7 6 1.091 108.937 -68.60 0.0000
12 O4 Oh S 10 7 6 1.453 108.593 173.08 -0.7200
13 H4O Ho E 12 10 7 0.967 107.931 -176.07 0.4200
14 C3 Cg M 10 7 6 1.547 110.634 51.97 0.3590
15 H3 H1 E 14 10 7 1.092 109.703 67.85 0.0000
16 O3 Oh S 14 10 7 1.451 108.617 -173.43 -0.7120
17 H3O Ho E 16 14 10 0.966 107.240 165.38 0.4210
18 C2 Cg M 14 10 7 1.543 112.192 -53.97 0.1970
19 H2 H1 E 18 14 10 1.091 108.478 -65.50 0.0000
20 O2 Os M 18 14 10 1.464 110.541 176.58 -0.4410
LOOP
C2 C1
DONE
2xB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.464 114.825 -132.75 0.2480
5 H1 H2 E 4 3 2 1.091 66.134 -66.21 0.0000
6 C2 Cg M 4 3 2 1.557 136.744 -161.60 0.4250
7 H2 H1 E 6 4 3 1.092 109.351 -93.35 0.0000
8 C3 Cg 3 6 4 3 1.547 111.138 145.56 0.2280
9 H3 H1 E 8 6 4 1.092 109.005 -68.97 0.0000
10 C4 Cg 3 8 6 4 1.546 111.370 51.34 0.2860
11 H4 H1 E 10 8 6 1.091 109.653 67.94 0.0000
12 C5 Cg 3 10 8 6 1.541 111.571 -53.00 0.3030
13 H5A H1 E 12 10 8 1.092 110.518 -66.11 0.0000
14 H5E H1 E 12 10 8 1.090 110.176 174.39 0.0000
15 O5 Os E 12 10 8 1.482 109.795 54.26 -0.4470
16 O4 Oh S 10 8 6 1.447 109.213 -172.90 -0.7230
17 H4O Ho E 16 10 8 0.966 107.383 -51.48 0.4300
18 O3 Oh S 8 6 4 1.458 109.994 172.23 -0.6820
19 H3O Ho E 18 8 6 0.967 108.169 55.63 0.4270
20 O2 Os M 6 4 3 1.452 109.095 25.68 -0.4950
LOOP
O5 C1
DONE
2xD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.594 114.988 -132.87 0.4280
5 H1 H1 E 4 3 2 1.090 132.003 29.40 0.0000
6 O4 Os M 4 3 2 1.561 69.372 -71.25 -0.5070
7 C4 Cg M 6 4 3 1.593 113.153 -99.38 0.2370
8 H4 H1 E 7 6 4 1.090 108.789 116.35 0.0000
9 C5 Cg 3 7 6 4 1.543 109.223 -125.39 0.2800
10 H51 H1 E 9 7 6 1.090 111.083 166.42 0.0000
11 H52 H1 E 9 7 6 1.090 109.111 -74.77 0.0000
12 O5 Oh S 9 7 6 1.441 110.629 44.19 -0.6780
13 H5O Ho E 12 9 7 0.962 107.911 -53.44 0.4220
14 C3 Cg M 7 6 4 1.626 104.822 0.57 0.3020
15 H3 H1 E 14 7 6 1.091 107.635 106.72 0.0000
16 O3 Oh S 14 7 6 1.447 113.750 -133.56 -0.7140
17 H3O Ho E 16 14 7 0.963 109.068 176.23 0.4260
18 C2 Cg M 14 7 6 1.634 107.473 -10.20 0.2480
19 H2 H1 E 18 14 7 1.091 108.718 -100.07 0.0000
20 O2 Os M 18 14 7 1.455 111.279 140.82 -0.4440
LOOP
C2 C1
DONE
2xU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.174 114.918 -132.94 0.3880
5 H1 H2 E 4 3 2 1.090 35.467 -62.24 0.0000
6 C2 Cg M 4 3 2 1.632 131.215 -128.66 0.3820
7 H2 H1 E 6 4 3 1.091 109.438 -95.81 0.0000
8 C3 Cg 3 6 4 3 1.636 107.260 145.70 0.2240
9 H3 H1 E 8 6 4 1.091 109.533 -107.12 0.0000
10 C4 Cg 3 8 6 4 1.626 107.660 10.02 0.1420
11 H4 H1 E 10 8 6 1.091 108.631 -124.08 0.0000
12 C5 Cg 3 10 8 6 1.541 115.732 113.08 0.2850
13 H51 H1 E 12 10 8 1.090 109.960 60.60 0.0000
14 H52 H1 E 12 10 8 1.091 110.415 -59.03 0.0000
15 O5 Oh S 12 10 8 1.439 110.113 -179.62 -0.6350
16 H5O Ho E 15 12 10 0.959 109.575 -48.10 0.3960
17 O4 Os E 10 8 6 1.585 104.984 -8.09 -0.4270
18 O3 Oh S 8 6 4 1.450 111.002 133.42 -0.6620
19 H3O Ho E 18 8 6 0.964 109.399 70.42 0.4120
20 O2 Os M 6 4 3 1.454 112.254 24.53 -0.5050
LOOP
O4 C1
DONE
2zA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.493 117.276 -129.39 0.3980
5 H1 H2 E 4 3 2 1.090 32.570 152.52 0.0000
6 O5 Os M 4 3 2 1.458 108.055 55.77 -0.5440
7 C5 Cg M 6 4 3 1.515 118.156 -151.21 0.1870
8 H5 H1 E 7 6 4 1.092 105.702 62.73 0.0000
9 C6 C B 7 6 4 1.597 117.705 178.26 0.7980
10 O6B O2 E 9 7 6 1.252 118.424 -16.19 -0.7870
11 O6A O2 E 9 7 6 1.259 117.589 166.79 -0.7870
12 C4 Cg M 7 6 4 1.550 110.155 -52.17 0.1930
13 H4 H1 E 12 7 6 1.091 108.479 -74.33 0.0000
14 O4 Oh S 12 7 6 1.452 107.400 168.29 -0.6820
15 H4O Ho E 14 12 7 0.983 105.869 47.72 0.4220
16 C3 Cg M 12 7 6 1.555 113.190 47.11 0.3000
17 H3 H1 E 16 12 7 1.092 108.970 72.43 0.0000
18 O3 Oh S 16 12 7 1.458 110.360 -168.45 -0.7430
19 H3O Ho E 18 16 12 0.962 107.044 172.72 0.4390
20 C2 Cg M 16 12 7 1.547 112.948 -48.46 0.3260
21 H2 H1 E 20 16 12 1.091 108.371 -69.20 0.0000
22 O2 Os M 20 16 12 1.467 110.467 172.90 -0.5200
LOOP
C2 C1
DONE
2zB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 115.039 -133.39 0.2510
5 H1 H2 E 4 3 2 1.091 63.566 -66.62 0.0000
6 C2 Cg M 4 3 2 1.556 136.448 -159.63 0.4110
7 H2 H1 E 6 4 3 1.092 109.113 -96.54 0.0000
8 C3 Cg 3 6 4 3 1.551 111.345 142.85 0.2660
9 H3 H1 E 8 6 4 1.092 108.729 -71.83 0.0000
10 C4 Cg 3 8 6 4 1.552 112.291 48.56 0.2670
11 H4 H1 E 10 8 6 1.092 109.244 70.35 0.0000
12 C5 Cg 3 10 8 6 1.542 113.280 -50.40 0.0750
13 H5 H1 E 12 10 8 1.092 107.974 -63.51 0.0000
14 C6 C B 12 10 8 1.584 111.106 -178.60 0.8930
15 O6A O2 E 14 12 10 1.252 118.262 -140.20 -0.8180
16 O6B O2 E 14 12 10 1.258 117.333 41.17 -0.8180
17 O5 Os E 12 10 8 1.502 108.303 51.87 -0.4130
18 O4 Oh S 10 8 6 1.449 108.610 -171.54 -0.7330
19 H4O Ho E 18 10 8 0.987 105.292 166.54 0.4290
20 O3 Oh S 8 6 4 1.459 111.009 168.82 -0.7010
21 H3O Ho E 20 8 6 0.966 105.666 -171.43 0.4030
22 O2 Os M 6 4 3 1.458 107.250 21.17 -0.5120
LOOP
O5 C1
DONE
3AA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.676 79.166 -133.49 0.4480
5 H1 H2 E 4 3 2 1.091 24.223 90.04 0.0000
6 C2 Cg M 4 3 2 1.547 97.401 -30.99 0.2680
7 H2 H1 E 6 4 3 1.092 109.940 -51.47 0.0000
8 O2 Oh S 6 4 3 1.437 106.880 64.80 -0.7350
9 H2O Ho E 8 6 4 0.960 109.480 -177.98 0.4430
10 C3 Cg M 6 4 3 1.543 115.075 -176.20 0.3350
11 H3 H1 E 10 6 4 1.091 110.217 -167.01 0.0000
12 C4 Cg 3 10 6 4 1.543 111.532 -44.66 0.2450
13 H4 H1 E 12 10 6 1.091 108.482 -68.58 0.0000
14 C5 Cg 3 12 10 6 1.532 112.944 51.47 0.3790
15 H5E H1 E 14 12 10 1.090 110.447 -175.26 0.0000
16 H5A H1 E 14 12 10 1.091 110.923 64.60 0.0000
17 O5 Os E 14 12 10 1.479 108.551 -55.64 -0.5640
18 O4 Oh S 12 10 6 1.437 110.197 173.67 -0.7480
19 H4O Ho E 18 12 10 0.960 109.412 -61.02 0.4340
20 O3 Os M 10 6 4 1.441 106.949 75.66 -0.5050
LOOP
O5 C1
DONE
3AB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.397 98.712 -136.08 0.3790
5 H1 H2 E 4 3 2 1.091 66.137 -93.73 0.0000
6 O5 Os M 4 3 2 1.466 132.905 172.33 -0.5290
7 C5 Cg M 6 4 3 1.485 114.414 139.79 0.3560
8 H5E H1 E 7 6 4 1.090 108.916 176.99 0.0000
9 H5A H1 E 7 6 4 1.091 109.188 -65.32 0.0000
10 C4 Cg M 7 6 4 1.546 110.184 56.30 0.2240
11 H4 H1 E 10 7 6 1.091 108.191 65.24 0.0000
12 O4 Oh S 10 7 6 1.458 110.447 -177.16 -0.7300
13 H4O Ho E 12 10 7 0.964 110.010 -151.69 0.4400
14 C3 Cg M 10 7 6 1.551 111.087 -54.27 0.2970
15 H3 H1 E 14 10 7 1.091 109.244 175.99 0.0000
16 C2 Cg B 14 10 7 1.543 111.469 54.81 0.3000
17 H2 H1 E 16 14 10 1.091 109.979 -173.48 0.0000
18 O2 Oh S 16 14 10 1.460 108.027 68.57 -0.7000
19 H2O Ho E 18 16 14 0.965 107.206 -167.33 0.4180
20 O3 Os M 14 10 7 1.454 109.593 -65.87 -0.4550
LOOP
C2 C1
DONE
3AD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.564 98.659 -135.87 0.3680
5 H1 H2 E 4 3 2 1.090 144.009 -170.21 0.0000
6 C2 Cg M 4 3 2 1.632 104.217 14.88 0.2780
7 H2 H1 E 6 4 3 1.092 109.712 54.58 0.0000
8 O2 Oh S 6 4 3 1.459 111.670 174.46 -0.6880
9 H2O Ho E 8 6 4 0.962 111.196 52.33 0.4300
10 C3 Cg M 6 4 3 1.638 107.428 -64.48 0.3700
11 H3 H1 E 10 6 4 1.091 109.719 -115.23 0.0000
12 C4 Cg 3 10 6 4 1.617 107.830 4.89 0.1470
13 H4 H1 E 12 10 6 1.091 109.995 109.41 0.0000
14 C5 Cg 3 12 10 6 1.531 113.111 -128.33 0.3380
15 H52 H1 E 14 12 10 1.090 110.286 -56.49 0.0000
16 H51 H1 E 14 12 10 1.090 110.161 -176.14 0.0000
17 O5 Oh S 14 12 10 1.438 109.271 63.95 -0.6960
18 H5O Ho E 17 14 12 0.963 107.879 70.16 0.3990
19 O4 Os E 12 10 6 1.585 105.385 -6.88 -0.4530
20 O3 Os M 10 6 4 1.445 110.901 124.99 -0.4930
LOOP
O4 C1
DONE
3AU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.667 98.632 -136.10 0.4770
5 H1 H2 E 4 3 2 1.090 95.669 -91.76 0.0000
6 O4 Os M 4 3 2 1.559 125.393 147.34 -0.5320
7 C4 Cg M 6 4 3 1.592 113.400 -118.27 0.3270
8 H4 H1 E 7 6 4 1.091 108.372 -116.19 0.0000
9 C5 Cg 3 7 6 4 1.536 109.955 123.86 0.2270
10 H52 H1 E 9 7 6 1.090 110.003 -58.66 0.0000
11 H51 H1 E 9 7 6 1.090 110.273 -178.18 0.0000
12 O5 Oh S 9 7 6 1.440 109.976 61.40 -0.6500
13 H5O Ho E 12 9 7 0.963 109.100 -48.75 0.3970
14 C3 Cg M 7 6 4 1.623 104.988 1.35 0.2150
15 H3 H1 E 14 7 6 1.091 109.455 110.64 0.0000
16 C2 Cg B 14 7 6 1.636 107.636 -8.35 0.3280
17 H2 H1 E 16 14 7 1.091 108.941 -103.94 0.0000
18 O2 Oh S 16 14 7 1.456 110.454 137.54 -0.7210
19 H2O Ho E 18 16 14 0.967 108.079 -107.31 0.4170
20 O3 Os M 14 7 6 1.449 110.805 -129.50 -0.4850
LOOP
C2 C1
DONE
3BA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.626 99.556 -130.20 0.1300
5 C1 Cg 3 4 3 2 1.560 35.236 112.47 0.4280
6 H12 H1 E 5 4 3 1.091 110.098 -13.70 0.0000
7 H11 H1 E 5 4 3 1.090 109.813 104.72 0.0000
8 O1 Oh S 5 4 3 1.443 112.003 -134.19 -0.6780
9 H1O Ho E 8 5 4 0.961 107.457 73.22 0.3990
10 C3 Cg M 4 3 2 1.559 106.735 7.30 0.3720
11 H3 H1 E 10 4 3 1.092 108.445 98.55 0.0000
12 C4 Cg 3 10 4 3 1.548 110.877 -143.81 0.3350
13 H4 H1 E 12 10 4 1.092 109.910 62.48 0.0000
14 C5 Cg 3 12 10 4 1.550 109.394 -58.65 0.2240
15 H5 H1 E 14 12 10 1.091 109.416 -64.57 0.0000
16 C6 Cg 3 14 12 10 1.544 111.673 55.39 0.3410
17 H6E H1 E 16 14 12 1.090 110.000 -171.23 0.0000
18 H6A H1 E 16 14 12 1.091 110.069 70.07 0.0000
19 O6 Os E 16 14 12 1.491 111.103 -50.56 -0.5070
20 O5 Oh S 14 12 10 1.455 110.457 176.19 -0.6900
21 H5O Ho E 20 14 12 0.963 109.307 77.89 0.4290
22 O4 Oh S 12 10 4 1.461 109.578 -178.37 -0.7240
23 H4O Ho E 22 12 10 0.964 108.580 -150.69 0.4210
24 O3 Os M 10 4 3 1.456 111.120 -18.72 -0.4800
LOOP
O6 C2
DONE
3BB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.404 98.269 -136.13 0.2270
5 C1 Cg 3 4 3 2 1.563 64.474 -94.95 0.2810
6 H12 H1 E 5 4 3 1.091 110.325 40.86 0.0000
7 H11 H1 E 5 4 3 1.090 110.121 159.57 0.0000
8 O1 Oh S 5 4 3 1.444 111.743 -80.01 -0.6260
9 H1O Ho E 8 5 4 0.960 109.452 179.75 0.3950
10 O6 Os M 4 3 2 1.482 134.628 169.57 -0.4770
11 C6 Cg M 10 4 3 1.485 116.916 144.77 0.3110
12 H6E H1 E 11 10 4 1.090 109.104 176.90 0.0000
13 H6A H1 E 11 10 4 1.091 109.162 -65.19 0.0000
14 C5 Cg M 11 10 4 1.543 109.751 56.11 0.3400
15 H5 H1 E 14 11 10 1.091 108.952 69.35 0.0000
16 O5 Oh S 14 11 10 1.444 108.793 -172.08 -0.7200
17 H5O Ho E 16 14 11 0.966 106.322 170.63 0.4290
18 C4 Cg M 14 11 10 1.545 112.662 -52.43 0.1080
19 H4 H1 E 18 14 11 1.092 109.257 -67.90 0.0000
20 O4 Oh S 18 14 11 1.460 109.081 173.87 -0.6750
21 H4O Ho E 20 18 14 0.968 108.634 -176.45 0.4350
22 C3 Cg M 18 14 11 1.550 110.670 52.18 0.4640
23 H3 H1 E 22 18 14 1.092 108.385 68.01 0.0000
24 O3 Os M 22 18 14 1.453 108.659 -174.74 -0.4920
LOOP
C3 C2
DONE
3BC INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.408 98.558 -136.37 0.3130
5 H1 H2 E 4 3 2 1.091 69.916 -94.06 0.0000
6 C2 Cg M 4 3 2 1.560 113.358 10.35 0.3540
7 H2 H1 E 6 4 3 1.092 107.992 101.47 0.0000
8 N2 Ng B 6 4 3 1.482 110.993 -18.32 -0.6460
9 H2N H E 8 6 4 1.005 117.749 -47.60 0.2870
10 C2N C B 8 6 4 1.339 123.653 132.27 0.5290
11 C2M Cg 3 10 8 6 1.543 115.754 177.65 0.0780
12 H23 Hc E 11 10 8 1.091 109.662 69.03 0.0000
13 H22 Hc E 11 10 8 1.091 110.049 -51.17 0.0000
14 H21 Hc E 11 10 8 1.091 110.260 -171.03 0.0000
15 O2N O E 10 8 6 1.228 122.945 -2.35 -0.5160
16 C3 Cg M 6 4 3 1.553 109.221 -141.10 0.1960
17 H3 H1 E 16 6 4 1.092 107.757 63.80 0.0000
18 C4 Cg 3 16 6 4 1.557 111.958 -54.52 0.5790
19 H4 H1 E 18 16 6 1.092 107.671 -66.49 0.0000
20 C5 Cg 3 18 16 6 1.553 111.334 52.25 0.1410
21 H5 H1 E 20 18 16 1.092 109.080 68.78 0.0000
22 C6 Cg 3 20 18 16 1.529 113.959 -169.86 0.0540
23 H63 H1 E 22 20 18 1.090 110.350 177.65 0.0000
24 H62 H1 E 22 20 18 1.091 110.671 57.53 0.0000
25 H61 H1 E 22 20 18 1.090 110.595 -62.81 0.0000
26 O5 Os E 20 18 16 1.484 110.731 -49.92 -0.4890
27 N4 Ng B 18 16 6 1.482 109.381 173.96 -0.8840
28 H4N H E 27 18 16 1.005 118.374 -46.73 0.3270
29 C4N C B 27 18 16 1.334 122.717 137.86 0.7200
30 C4M Cg 3 29 27 18 1.542 116.539 179.84 0.0380
31 H43 Hc E 30 29 27 1.091 109.727 63.50 0.0000
32 H42 Hc E 30 29 27 1.091 109.889 -56.66 0.0000
33 H41 Hc E 30 29 27 1.091 110.231 -176.59 0.0000
34 O4N O E 29 27 18 1.221 121.166 -0.20 -0.6220
35 O3 Os M 16 6 4 1.467 110.961 -179.24 -0.4590
LOOP
O5 C1
DONE
3BD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410
5 C1 Cg 3 4 3 2 1.546 4.633 -120.67 0.3130
6 H12 H1 E 5 4 3 1.090 110.325 114.28 0.0000
7 H11 H1 E 5 4 3 1.091 109.856 -126.60 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -6.24 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 -163.85 0.4140
10 C3 Cg M 4 3 2 1.641 111.508 16.65 0.4400
11 H3 H1 E 10 4 3 1.090 108.442 20.90 0.0000
12 C4 Cg 3 10 4 3 1.636 106.644 136.55 0.2250
13 H4 H1 E 12 10 4 1.091 108.604 98.33 0.0000
14 C5 Cg 3 12 10 4 1.626 107.413 -17.56 0.2710
15 H5 H1 E 14 12 10 1.091 108.621 126.81 0.0000
16 C6 Cg 3 14 12 10 1.543 115.360 -109.99 0.2810
17 H62 H1 E 16 14 12 1.091 109.980 67.38 0.0000
18 H61 H1 E 16 14 12 1.090 110.249 -51.87 0.0000
19 O6 Oh S 16 14 12 1.443 110.886 -171.63 -0.6790
20 H6O Ho E 19 16 14 0.959 110.164 69.40 0.4110
21 O5 Os E 14 12 10 1.587 104.732 10.45 -0.4520
22 O4 Oh S 12 10 4 1.457 112.032 -142.43 -0.7100
23 H4O Ho E 22 12 10 0.965 109.577 -74.18 0.4350
24 O3 Os M 10 4 3 1.453 115.892 -99.73 -0.5220
LOOP
O5 C2
DONE
3BU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470
5 C1 Cg 3 4 3 2 1.553 52.999 -106.31 0.2990
6 H12 H1 E 5 4 3 1.091 110.361 37.48 0.0000
7 H11 H1 E 5 4 3 1.091 109.538 156.30 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 -83.60 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 -172.60 0.3820
10 O5 Os M 4 3 2 1.568 142.358 -178.86 -0.3850
11 C5 Cg M 10 4 3 1.582 113.720 173.86 0.2100
12 H5 H1 E 11 10 4 1.091 108.799 -121.64 0.0000
13 C6 Cg 3 11 10 4 1.541 109.962 118.91 0.3320
14 H62 H1 E 13 11 10 1.090 110.302 -58.44 0.0000
15 H61 H1 E 13 11 10 1.090 109.861 -177.80 0.0000
16 O6 Oh S 13 11 10 1.442 110.695 62.46 -0.7010
17 H6O Ho E 16 13 11 0.959 110.169 52.94 0.4090
18 C4 Cg M 11 10 4 1.624 104.801 -5.21 0.2830
19 H4 H1 E 18 11 10 1.091 107.561 -105.82 0.0000
20 O4 Oh S 18 11 10 1.453 112.691 135.08 -0.7550
21 H4O Ho E 20 18 11 0.964 109.402 171.47 0.4340
22 C3 Cg M 18 11 10 1.637 107.577 11.31 0.3820
23 H3 H1 E 22 18 11 1.091 108.163 103.95 0.0000
24 O3 Os M 22 18 11 1.455 110.878 -138.10 -0.5100
LOOP
C3 C2
DONE
3CA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.591 99.421 -130.21 0.3450
5 C1 Cg 3 4 3 2 1.567 41.168 109.23 0.3860
6 H12 H1 E 5 4 3 1.091 109.446 -31.55 0.0000
7 H11 H1 E 5 4 3 1.091 110.132 86.62 0.0000
8 O1 Oh S 5 4 3 1.446 112.801 -152.28 -0.6960
9 H1O Ho E 8 5 4 0.968 106.626 39.29 0.4020
10 C3 Cg M 4 3 2 1.575 105.291 0.80 0.2470
11 H3 H1 E 10 4 3 1.092 108.668 -30.87 0.0000
12 C4 Cg 3 10 4 3 1.551 113.411 -152.18 0.3670
13 H4 H1 E 12 10 4 1.091 108.797 -167.01 0.0000
14 C5 Cg 3 12 10 4 1.544 112.343 -46.95 0.1950
15 H5 H1 E 14 12 10 1.091 108.612 -61.32 0.0000
16 C6 Cg 3 14 12 10 1.538 109.577 57.29 0.4370
17 H6E H1 E 16 14 12 1.090 109.936 -178.47 0.0000
18 H6A H1 E 16 14 12 1.091 110.981 62.19 0.0000
19 O6 Os E 16 14 12 1.483 109.646 -58.96 -0.6200
20 O5 Oh S 14 12 10 1.462 110.821 -179.28 -0.7090
21 H5O Ho E 20 14 12 0.964 110.741 154.55 0.4150
22 O4 Oh S 12 10 4 1.450 110.082 76.05 -0.7200
23 H4O Ho E 22 12 10 0.965 107.347 -174.93 0.3940
24 O3 Os M 10 4 3 1.466 111.567 86.40 -0.4430
LOOP
O6 C2
DONE
3CB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.453 98.094 -136.06 0.2440
5 C1 Cg 3 4 3 2 1.563 63.216 -96.90 0.2970
6 H12 H1 E 5 4 3 1.091 110.065 46.56 0.0000
7 H11 H1 E 5 4 3 1.088 110.800 165.58 0.0000
8 O1 Oh S 5 4 3 1.447 111.733 -74.36 -0.6690
9 H1O Ho E 8 5 4 0.961 109.456 -178.60 0.4010
10 O6 Os M 4 3 2 1.480 134.325 169.15 -0.4600
11 C6 Cg M 10 4 3 1.482 117.080 144.78 0.3650
12 H6E H1 E 11 10 4 1.090 108.978 178.11 0.0000
13 H6A H1 E 11 10 4 1.091 109.532 -63.87 0.0000
14 C5 Cg M 11 10 4 1.539 109.460 57.67 0.1950
15 H5 H1 E 14 11 10 1.091 107.780 64.61 0.0000
16 O5 Oh S 14 11 10 1.457 110.279 -178.31 -0.6840
17 H5O Ho E 16 14 11 0.965 109.084 80.29 0.4150
18 C4 Cg M 14 11 10 1.549 112.024 -54.46 0.3440
19 H4 H1 E 18 14 11 1.091 108.628 172.57 0.0000
20 O4 Oh S 18 14 11 1.459 109.986 -70.35 -0.6980
21 H4O Ho E 20 18 14 0.964 108.929 -144.70 0.4170
22 C3 Cg M 18 14 11 1.551 111.995 51.70 0.3170
23 H3 H1 E 22 18 14 1.091 109.680 -170.27 0.0000
24 O3 Os M 22 18 14 1.453 106.815 73.47 -0.4840
LOOP
C3 C2
DONE
3CD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840
5 C1 Cg 3 4 3 2 1.556 9.626 -136.04 0.3700
6 H12 H1 E 5 4 3 1.091 109.651 88.60 0.0000
7 H11 H1 E 5 4 3 1.091 110.210 -152.55 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -31.57 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 49.38 0.4140
10 C3 Cg M 4 3 2 1.638 108.658 19.86 0.2820
11 H3 H1 E 10 4 3 1.091 111.006 -104.35 0.0000
12 C4 Cg 3 10 4 3 1.638 106.495 134.41 0.3320
13 H4 H1 E 12 10 4 1.091 111.116 -136.07 0.0000
14 C5 Cg 3 12 10 4 1.621 107.987 -13.87 0.3090
15 H5 H1 E 14 12 10 1.092 110.544 126.66 0.0000
16 C6 Cg 3 14 12 10 1.538 111.506 -110.78 0.2650
17 H62 H1 E 16 14 12 1.091 109.952 69.16 0.0000
18 H61 H1 E 16 14 12 1.090 109.956 -49.70 0.0000
19 O6 Oh S 16 14 12 1.442 111.246 -169.72 -0.6640
20 H6O Ho E 19 16 14 0.960 110.855 67.48 0.4120
21 O5 Os E 14 12 10 1.584 104.926 8.85 -0.4980
22 O4 Oh S 12 10 4 1.453 108.919 105.00 -0.7840
23 H4O Ho E 22 12 10 0.965 110.375 -49.86 0.4440
24 O3 Os M 10 4 3 1.460 111.917 16.34 -0.4780
LOOP
O5 C2
DONE
3CU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390
5 C1 Cg 3 4 3 2 1.537 69.500 -144.67 0.2870
6 H12 H1 E 5 4 3 1.091 110.638 29.87 0.0000
7 H11 H1 E 5 4 3 1.091 109.952 149.16 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 -91.14 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 -179.97 0.4010
10 O5 Os M 4 3 2 1.575 147.962 122.92 -0.4490
11 C5 Cg M 10 4 3 1.577 112.749 -165.42 0.3100
12 H5 H1 E 11 10 4 1.092 109.362 -121.32 0.0000
13 C6 Cg 3 11 10 4 1.529 108.415 119.08 0.2720
14 H62 H1 E 13 11 10 1.091 110.618 -56.09 0.0000
15 H61 H1 E 13 11 10 1.090 110.315 -176.31 0.0000
16 O6 Oh S 13 11 10 1.433 108.667 64.08 -0.6520
17 H6O Ho E 16 13 11 0.960 109.494 59.32 0.3970
18 C4 Cg M 11 10 4 1.622 105.503 -1.90 0.2930
19 H4 H1 E 18 11 10 1.092 112.170 133.69 0.0000
20 O4 Oh S 18 11 10 1.434 107.738 -106.47 -0.7630
21 H4O Ho E 20 18 11 0.960 109.480 -62.64 0.4310
22 C3 Cg M 18 11 10 1.624 107.882 8.77 0.3330
23 H3 H1 E 22 18 11 1.091 112.343 -135.61 0.0000
24 O3 Os M 22 18 11 1.439 105.085 106.18 -0.4750
LOOP
C3 C2
DONE
3DA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.544 98.481 -135.71 0.3980
5 H1 H2 E 4 3 2 1.090 143.293 157.80 0.0000
6 C2 Cg M 4 3 2 1.559 100.528 13.66 0.2460
7 H2 H1 E 6 4 3 1.091 109.379 88.56 0.0000
8 O2 Oh S 6 4 3 1.458 109.515 -153.38 -0.6780
9 H2O Ho E 8 6 4 0.962 110.757 -69.34 0.4320
10 C3 Cg M 6 4 3 1.549 110.494 -31.75 0.1840
11 H3 H1 E 10 6 4 1.091 107.825 63.24 0.0000
12 C4 Cg 3 10 6 4 1.545 111.008 -55.58 0.3510
13 H4 H1 E 12 10 6 1.091 110.279 -64.03 0.0000
14 C5 Cg 3 12 10 6 1.543 110.247 57.45 0.2750
15 H5E H1 E 14 12 10 1.090 110.034 -173.80 0.0000
16 H5A H1 E 14 12 10 1.092 109.852 67.71 0.0000
17 O5 Os E 14 12 10 1.490 111.684 -52.70 -0.4870
18 O4 Oh S 12 10 6 1.447 108.954 176.38 -0.7110
19 H4O Ho E 18 12 10 0.966 106.152 48.96 0.4220
20 O3 Os M 10 6 4 1.459 111.377 -179.63 -0.4320
LOOP
O5 C1
DONE
3DB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.719 100.298 -130.46 0.4480
5 H1 H2 E 4 3 2 1.091 138.149 179.98 0.0000
6 O5 Os M 4 3 2 1.480 43.169 119.64 -0.5190
7 C5 Cg M 6 4 3 1.480 115.118 -158.52 0.2750
8 H5E H1 E 7 6 4 1.090 109.162 177.52 0.0000
9 H5A H1 E 7 6 4 1.092 108.688 -64.77 0.0000
10 C4 Cg M 7 6 4 1.539 110.071 56.42 0.3350
11 H4 H1 E 10 7 6 1.091 109.494 72.24 0.0000
12 O4 Oh S 10 7 6 1.436 107.087 -169.38 -0.7090
13 H4O Ho E 12 10 7 0.960 109.449 -179.03 0.4360
14 C3 Cg M 10 7 6 1.543 111.797 -50.34 0.2010
15 H3 H1 E 14 10 7 1.092 109.081 -68.08 0.0000
16 C2 Cg B 14 10 7 1.543 112.432 51.79 0.2260
17 H2 H1 E 16 14 10 1.091 110.138 -175.60 0.0000
18 O2 Oh S 16 14 10 1.446 109.378 64.40 -0.6450
19 H2O Ho E 18 16 14 0.960 109.425 -178.57 0.4150
20 O3 Os M 14 10 7 1.440 109.833 173.78 -0.4630
LOOP
C2 C1
DONE
3DD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.439 98.549 -135.93 0.3800
5 H1 H1 E 4 3 2 1.090 138.129 177.38 0.0000
6 C2 Cg M 4 3 2 1.631 107.390 17.90 0.2290
7 H2 H1 E 6 4 3 1.091 108.957 30.09 0.0000
8 O2 Oh S 6 4 3 1.459 112.707 149.62 -0.6510
9 H2O Ho E 8 6 4 0.964 109.258 -67.04 0.4110
10 C3 Cg M 6 4 3 1.641 106.976 -85.59 0.2980
11 H3 H1 E 10 6 4 1.090 111.055 137.68 0.0000
12 C4 Cg 3 10 6 4 1.624 106.916 15.94 0.1890
13 H4 H1 E 12 10 6 1.091 107.278 99.07 0.0000
14 C5 Cg 3 12 10 6 1.537 117.355 -138.29 0.3050
15 H52 H1 E 14 12 10 1.090 110.349 -57.47 0.0000
16 H51 H1 E 14 12 10 1.090 110.600 62.82 0.0000
17 O5 Oh S 14 12 10 1.438 108.908 -177.29 -0.6970
18 H5O Ho E 17 14 12 0.962 108.141 -56.44 0.4140
19 O4 Os E 12 10 6 1.588 104.960 -15.19 -0.4230
20 O3 Os M 10 6 4 1.446 108.928 -102.08 -0.4550
LOOP
O4 C1
DONE
3DU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.520 -135.68 0.4360
5 H1 H2 E 4 3 2 1.090 44.078 -112.04 0.0000
6 O4 Os M 4 3 2 1.554 137.950 -176.42 -0.5170
7 C4 Cg M 6 4 3 1.588 113.584 155.63 0.1350
8 H4 H1 E 7 6 4 1.091 108.738 -120.59 0.0000
9 C5 Cg 3 7 6 4 1.542 110.504 119.77 0.3730
10 H52 H1 E 9 7 6 1.091 110.456 -60.02 0.0000
11 H51 H1 E 9 7 6 1.090 109.887 -179.59 0.0000
12 O5 Oh S 9 7 6 1.439 110.322 60.67 -0.7250
13 H5O Ho E 12 9 7 0.959 109.321 36.11 0.4180
14 C3 Cg M 7 6 4 1.620 104.668 -4.25 0.3000
15 H3 H1 E 14 7 6 1.091 107.749 -104.45 0.0000
16 C2 Cg B 14 7 6 1.642 107.806 11.75 0.2840
17 H2 H1 E 16 14 7 1.089 110.775 -134.90 0.0000
18 O2 Oh S 16 14 7 1.464 109.295 105.12 -0.6800
19 H2O Ho E 18 16 14 0.969 107.470 -139.03 0.4070
20 O3 Os M 14 7 6 1.446 112.944 136.27 -0.4310
LOOP
C2 C1
DONE
3EA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 O2 Oh S 6 4 3 1.437 106.903 53.10 -0.6900
9 H2O Ho E 8 6 4 0.960 109.486 -57.88 0.4470
10 C3 Cg M 6 4 3 1.541 114.896 172.06 0.3280
11 H3 H1 E 10 6 4 1.091 110.106 -167.45 0.0000
12 C4 Cg 3 10 6 4 1.544 111.809 -45.05 0.2610
13 H4 H1 E 12 10 6 1.091 108.188 -68.68 0.0000
14 C5 Cg 3 12 10 6 1.541 113.133 51.50 0.3740
15 H5 H1 E 14 12 10 1.092 109.237 63.30 0.0000
16 C6 Cg 3 14 12 10 1.535 114.012 -174.39 0.2590
17 H62 H1 E 16 14 12 1.090 110.525 -56.55 0.0000
18 H61 H1 E 16 14 12 1.091 110.727 63.66 0.0000
19 O6 Oh S 16 14 12 1.434 108.916 -175.95 -0.6630
20 H6O Ho E 19 16 14 0.960 109.470 59.69 0.4060
21 O5 Os E 14 12 10 1.485 107.816 -54.81 -0.5870
22 O4 Oh S 12 10 6 1.439 109.304 174.29 -0.7210
23 H4O Ho E 22 12 10 0.960 109.412 -61.37 0.4150
24 O3 Os M 10 6 4 1.442 106.866 75.38 -0.4880
LOOP
O5 C1
DONE
3EB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Oh S 9 7 6 1.439 109.977 57.72 -0.6770
13 H6O Ho E 12 9 7 0.962 108.042 -50.79 0.4080
14 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
15 H4 H1 E 14 7 6 1.091 108.584 66.50 0.0000
16 O4 Oh S 14 7 6 1.457 110.564 -175.67 -0.7240
17 H4O Ho E 16 14 7 0.964 110.039 -157.92 0.4200
18 C3 Cg M 14 7 6 1.554 111.196 -53.07 0.3150
19 H3 H1 E 18 14 7 1.091 109.198 176.72 0.0000
20 C2 Cg B 18 14 7 1.540 111.264 55.77 0.1840
21 H2 H1 E 20 18 14 1.091 109.856 -175.33 0.0000
22 O2 Oh S 20 18 14 1.463 107.825 66.95 -0.6970
23 H2O Ho E 22 20 18 0.966 108.305 -175.24 0.4320
24 O3 Os M 18 14 7 1.454 110.601 -64.53 -0.4720
LOOP
C2 C1
DONE
3FA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.482 98.666 -135.91 0.3990
5 H1 H2 E 4 3 2 1.090 143.009 167.64 0.0000
6 C2 Cg M 4 3 2 1.566 103.719 15.57 0.4560
7 H2 H1 E 6 4 3 1.091 107.661 -140.81 0.0000
8 O2 Oh S 6 4 3 1.463 112.192 101.91 -0.8040
9 H2O Ho E 8 6 4 0.961 108.560 155.60 0.4530
10 C3 Cg M 6 4 3 1.550 109.810 -22.26 0.2280
11 H3 H1 E 10 6 4 1.091 109.256 60.66 0.0000
12 C4 Cg 3 10 6 4 1.549 109.944 -58.35 0.2630
13 H4 H1 E 12 10 6 1.091 108.978 175.77 0.0000
14 C5 Cg 3 12 10 6 1.554 111.442 55.77 0.1870
15 H5 H1 E 14 12 10 1.091 107.126 67.59 0.0000
16 C6 Cg 3 14 12 10 1.531 115.122 -173.47 0.0650
17 H63 Hc E 16 14 12 1.090 111.280 -55.79 0.0000
18 H62 Hc E 16 14 12 1.091 111.136 -175.22 0.0000
19 H61 Hc E 16 14 12 1.091 112.013 64.74 0.0000
20 O5 Os E 14 12 10 1.495 111.650 -50.00 -0.4940
21 O4 Oh S 12 10 6 1.452 109.204 -66.42 -0.7390
22 H4O Ho E 21 12 10 0.966 107.152 -53.10 0.4470
23 O3 Os M 10 6 4 1.464 112.278 179.81 -0.4610
LOOP
O5 C1
DONE
3FB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 27.023 80.980 -137.29 0.4180
5 H1 H2 E 4 3 2 1.091 89.699 -141.90 0.0000
6 O5 Os M 4 3 2 1.479 135.888 101.36 -0.4420
7 C5 Cg M 6 4 3 1.481 116.331 175.37 0.1060
8 H5 H1 E 7 6 4 1.092 108.301 -57.82 0.0000
9 C6 Cg 3 7 6 4 1.531 108.182 -173.94 0.0920
10 H63 Hc E 9 7 6 1.091 111.199 179.97 0.0000
11 H62 Hc E 9 7 6 1.091 112.070 -59.60 0.0000
12 H61 Hc E 9 7 6 1.091 111.160 60.55 0.0000
13 C4 Cg M 7 6 4 1.543 108.818 59.65 0.2290
14 H4 H1 E 13 7 6 1.091 109.875 -177.36 0.0000
15 O4 Oh S 13 7 6 1.445 108.672 63.53 -0.6590
16 H4O Ho E 15 13 7 0.960 109.451 59.43 0.4230
17 C3 Cg M 13 7 6 1.542 109.625 -56.43 0.2550
18 H3 H1 E 17 13 7 1.092 107.830 -66.01 0.0000
19 C2 Cg B 17 13 7 1.542 112.898 54.44 0.3460
20 H2 H1 E 19 17 13 1.092 109.972 72.13 0.0000
21 O2 Oh S 19 17 13 1.439 107.835 -168.68 -0.7650
22 H2O Ho E 21 19 17 0.960 109.418 -179.92 0.4400
23 O3 Os M 17 13 7 1.440 109.284 176.95 -0.4430
LOOP
C2 C1
DONE
3GA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 O2 Oh S 6 4 3 1.465 111.499 -41.43 -0.7130
9 H2O Ho E 8 6 4 0.967 109.170 -40.31 0.4370
10 C3 Cg M 6 4 3 1.543 111.424 -164.87 0.2860
11 H3 H1 E 10 6 4 1.092 109.239 69.49 0.0000
12 C4 Cg 3 10 6 4 1.547 112.114 -52.22 0.2540
13 H4 H1 E 12 10 6 1.092 109.454 -66.45 0.0000
14 C5 Cg 3 12 10 6 1.543 111.254 54.50 0.2830
15 H5 H1 E 14 12 10 1.092 108.261 65.38 0.0000
16 C6 Cg 3 14 12 10 1.546 112.538 -174.79 0.2760
17 H62 H1 E 16 14 12 1.090 110.682 -45.93 0.0000
18 H61 H1 E 16 14 12 1.091 110.014 73.31 0.0000
19 O6 Oh S 16 14 12 1.444 110.823 -165.78 -0.6820
20 H6O Ho E 19 16 14 0.960 109.735 78.35 0.4180
21 O5 Os E 14 12 10 1.500 109.539 -52.54 -0.5740
22 O4 Oh S 12 10 6 1.451 108.956 174.69 -0.7100
23 H4O Ho E 22 12 10 0.968 107.227 50.66 0.4360
24 O3 Os M 10 6 4 1.452 108.531 -172.18 -0.4660
LOOP
O5 C1
DONE
3GB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Oh S 9 7 6 1.440 109.810 57.27 -0.6880
13 H6O Ho E 12 9 7 0.962 108.265 -53.10 0.4240
14 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
15 H4 H1 E 14 7 6 1.092 109.352 66.92 0.0000
16 O4 Oh S 14 7 6 1.448 108.899 -174.36 -0.7140
17 H4O Ho E 16 14 7 0.967 107.435 172.17 0.4400
18 C3 Cg M 14 7 6 1.548 111.306 -54.04 0.2840
19 H3 H1 E 18 14 7 1.092 109.104 -67.30 0.0000
20 C2 Cg B 18 14 7 1.545 112.113 53.55 0.3100
21 H2 H1 E 20 18 14 1.092 109.394 68.33 0.0000
22 O2 Oh S 20 18 14 1.458 108.975 -172.91 -0.7180
23 H2O Ho E 22 20 18 0.966 108.053 175.61 0.4370
24 O3 Os M 18 14 7 1.454 108.817 174.47 -0.4710
LOOP
C2 C1
DONE
3HA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.582 98.678 -136.05 0.3940
5 H1 H2 E 4 3 2 1.090 147.150 175.74 0.0000
6 C2 Cg M 4 3 2 1.554 100.578 20.48 0.2480
7 H2 H1 E 6 4 3 1.091 109.542 95.73 0.0000
8 O2 Oh S 6 4 3 1.456 109.547 -146.01 -0.6700
9 H2O Ho E 8 6 4 0.965 106.818 171.13 0.4210
10 C3 Cg M 6 4 3 1.545 110.654 -24.92 0.2360
11 H3 H1 E 10 6 4 1.092 108.370 66.81 0.0000
12 C4 Cg 3 10 6 4 1.545 112.380 -53.49 0.1870
13 H4 H1 E 12 10 6 1.091 109.690 -65.16 0.0000
14 C5 Cg 3 12 10 6 1.549 110.317 55.89 0.2790
15 H5 H1 E 14 12 10 1.092 108.902 66.22 0.0000
16 C6 Cg 3 14 12 10 1.530 113.869 -172.74 0.0230
17 H63 Hc E 16 14 12 1.090 111.509 -61.06 0.0000
18 H62 Hc E 16 14 12 1.091 111.314 179.43 0.0000
19 H61 Hc E 16 14 12 1.091 111.668 59.25 0.0000
20 O5 Os E 14 12 10 1.486 110.695 -52.49 -0.4610
21 O4 Oh S 12 10 6 1.456 108.727 175.97 -0.6440
22 H4O Ho E 21 12 10 0.963 110.183 165.58 0.4050
23 O3 Os M 10 6 4 1.452 109.719 -175.81 -0.4180
LOOP
O5 C1
DONE
3HB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 29.347 69.123 -148.90 0.3810
5 H1 H2 E 4 3 2 1.091 126.377 48.27 0.0000
6 O5 Os M 4 3 2 1.479 92.197 -66.81 -0.4270
7 C5 Cg M 6 4 3 1.483 115.750 -171.42 0.1720
8 H5 H1 E 7 6 4 1.092 107.917 -63.31 0.0000
9 C6M Cg 3 7 6 4 1.530 107.056 -179.94 0.0390
10 H1M Hc E 9 7 6 1.091 111.297 57.52 0.0000
11 H2M Hc E 9 7 6 1.091 111.709 -62.68 0.0000
12 H3M Hc E 9 7 6 1.091 111.441 177.01 0.0000
13 C4 Cg M 7 6 4 1.547 109.717 55.61 0.3880
14 H4 H1 E 13 7 6 1.092 109.750 73.54 0.0000
15 O4 Oh S 13 7 6 1.438 107.632 -167.68 -0.7280
16 H4O Ho E 15 13 7 0.960 109.440 -59.01 0.4320
17 C3 Cg M 13 7 6 1.543 112.131 -48.94 0.1820
18 H3 H1 E 17 13 7 1.092 109.049 -68.66 0.0000
19 C2 Cg B 17 13 7 1.542 112.684 51.25 0.2430
20 H2 H1 E 19 17 13 1.091 110.140 -175.78 0.0000
21 O2 Oh S 19 17 13 1.446 109.350 64.20 -0.6730
22 H2O Ho E 21 19 17 0.960 109.408 59.77 0.4320
23 O3 Os M 17 13 7 1.440 109.818 173.25 -0.4410
LOOP
C2 C1
DONE
3JA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.611 99.408 -130.23 0.1140
5 C1 Cg 3 4 3 2 1.562 33.359 109.85 0.4100
6 H12 H1 E 5 4 3 1.091 109.780 -32.30 0.0000
7 H11 H1 E 5 4 3 1.091 110.432 86.63 0.0000
8 O1 Oh S 5 4 3 1.437 111.258 -152.64 -0.6560
9 H1O Ho E 8 5 4 0.970 105.489 31.79 0.4050
10 C3 Cg M 4 3 2 1.561 108.078 4.40 0.2710
11 H3 H1 E 10 4 3 1.091 109.484 -29.48 0.0000
12 C4 Cg 3 10 4 3 1.550 111.054 -149.95 0.2810
13 H4 H1 E 12 10 4 1.091 108.892 64.55 0.0000
14 C5 Cg 3 12 10 4 1.547 111.417 -55.51 0.2730
15 H5 H1 E 14 12 10 1.091 109.946 -64.34 0.0000
16 C6 Cg 3 14 12 10 1.541 110.532 56.44 0.3680
17 H6E H1 E 16 14 12 1.090 110.023 -172.59 0.0000
18 H6A H1 E 16 14 12 1.091 109.951 68.78 0.0000
19 O6 Os E 16 14 12 1.489 111.422 -51.66 -0.5040
20 O5 Oh S 14 12 10 1.453 109.662 176.22 -0.6990
21 H5O Ho E 20 14 12 0.965 108.090 56.66 0.4190
22 O4 Oh S 12 10 4 1.460 109.496 -177.99 -0.6720
23 H4O Ho E 22 12 10 0.964 109.388 -81.32 0.4130
24 O3 Os M 10 4 3 1.458 110.234 89.20 -0.4230
LOOP
O6 C2
DONE
3JB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.338 98.495 -136.31 0.4130
5 C1 Cg 3 4 3 2 1.565 68.430 -90.76 0.2800
6 H12 H1 E 5 4 3 1.091 109.821 33.19 0.0000
7 H11 H1 E 5 4 3 1.089 110.419 151.32 0.0000
8 O1 Oh S 5 4 3 1.444 112.820 -88.26 -0.7220
9 H1O Ho E 8 5 4 0.965 107.671 41.74 0.4320
10 O6 Os M 4 3 2 1.484 136.913 168.93 -0.5510
11 C6 Cg M 10 4 3 1.484 117.065 151.25 0.2920
12 H6E H1 E 11 10 4 1.090 109.046 175.12 0.0000
13 H6A H1 E 11 10 4 1.091 108.728 -67.49 0.0000
14 C5 Cg M 11 10 4 1.547 111.063 53.76 0.3740
15 H5 H1 E 14 11 10 1.091 108.987 71.66 0.0000
16 O5 Oh S 14 11 10 1.455 109.300 -169.66 -0.7290
17 H5O Ho E 16 14 11 0.962 111.074 52.54 0.4260
18 C4 Cg M 14 11 10 1.550 111.895 -49.63 0.1550
19 H4 H1 E 18 14 11 1.090 108.402 -67.51 0.0000
20 O4 Oh S 18 14 11 1.459 110.935 175.25 -0.6840
21 H4O Ho E 20 18 14 0.968 109.165 45.21 0.4380
22 C3 Cg M 18 14 11 1.551 111.966 52.01 0.3630
23 H3 H1 E 22 18 14 1.091 109.562 -175.27 0.0000
24 O3 Os M 22 18 14 1.461 107.359 67.28 -0.4870
LOOP
C3 C2
DONE
3JD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920
5 C1 Cg 3 4 3 2 1.554 10.224 -140.48 0.3890
6 H12 H1 E 5 4 3 1.091 109.769 84.88 0.0000
7 H11 H1 E 5 4 3 1.091 110.219 -156.13 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -35.41 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 50.29 0.3800
10 C3 Cg M 4 3 2 1.637 108.016 16.20 0.3930
11 H3 H1 E 10 4 3 1.091 112.376 -99.86 0.0000
12 C4 Cg 3 10 4 3 1.642 105.965 138.66 0.2330
13 H4 H1 E 12 10 4 1.090 107.367 95.04 0.0000
14 C5 Cg 3 12 10 4 1.625 107.375 -19.81 0.1900
15 H5 H1 E 14 12 10 1.091 108.940 130.16 0.0000
16 C6 Cg 3 14 12 10 1.542 114.908 -106.54 0.3400
17 H62 H1 E 16 14 12 1.090 110.250 66.65 0.0000
18 H61 H1 E 16 14 12 1.090 110.186 -52.85 0.0000
19 O6 Oh S 16 14 12 1.441 110.517 -172.30 -0.7250
20 H6O Ho E 19 16 14 0.959 110.296 58.30 0.4250
21 O5 Os E 14 12 10 1.585 104.597 13.44 -0.4100
22 O4 Oh S 12 10 4 1.458 113.311 -146.22 -0.6710
23 H4O Ho E 22 12 10 0.965 110.086 -102.72 0.4140
24 O3 Os M 10 4 3 1.455 110.333 22.08 -0.4960
LOOP
O5 C2
DONE
3JU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510
5 C1 Cg 3 4 3 2 1.554 50.342 -105.76 0.3330
6 H12 H1 E 5 4 3 1.090 110.121 39.98 0.0000
7 H11 H1 E 5 4 3 1.090 109.574 158.57 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 -81.07 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 -173.81 0.4150
10 O5 Os M 4 3 2 1.569 141.794 -176.42 -0.3890
11 C5 Cg M 10 4 3 1.585 113.364 166.72 0.1000
12 H5 H1 E 11 10 4 1.089 109.200 -122.53 0.0000
13 C6 Cg 3 11 10 4 1.537 108.498 118.12 0.3490
14 H62 H1 E 13 11 10 1.089 110.316 -54.99 0.0000
15 H61 H1 E 13 11 10 1.090 111.054 -175.70 0.0000
16 O6 Oh S 13 11 10 1.435 108.026 64.54 -0.6840
17 H6O Ho E 16 13 11 0.962 107.568 -44.32 0.4110
18 C4 Cg M 11 10 4 1.619 104.895 -5.59 0.2840
19 H4 H1 E 18 11 10 1.091 107.554 -103.32 0.0000
20 O4 Oh S 18 11 10 1.442 113.035 137.27 -0.6570
21 H4O Ho E 20 18 11 0.969 105.977 -113.16 0.4100
22 C3 Cg M 18 11 10 1.639 107.844 12.75 0.2230
23 H3 H1 E 22 18 11 1.090 110.597 -136.61 0.0000
24 O3 Os M 22 18 11 1.460 109.186 103.85 -0.4490
LOOP
C3 C2
DONE
3KA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 O2 Oh S 6 4 3 1.439 110.808 -54.40 -0.7160
9 H2O Ho E 8 6 4 0.960 109.409 -63.57 0.4270
10 C3 Cg M 6 4 3 1.544 115.219 178.76 0.3540
11 H3 H1 E 10 6 4 1.091 109.846 -171.16 0.0000
12 C4 Cg 3 10 6 4 1.541 111.196 -48.97 0.1960
13 H4 H1 E 12 10 6 1.091 109.723 170.85 0.0000
14 C5 Cg 3 12 10 6 1.549 113.058 48.50 0.3010
15 H5 H1 E 14 12 10 1.092 107.347 66.38 0.0000
16 C6 Cg 3 14 12 10 1.535 114.885 -173.99 0.2870
17 H62 H1 E 16 14 12 1.090 110.246 -52.70 0.0000
18 H61 H1 E 16 14 12 1.091 110.887 67.51 0.0000
19 O6 Oh S 16 14 12 1.434 108.908 -172.15 -0.6910
20 H6O Ho E 19 16 14 0.960 109.471 59.53 0.4220
21 O5 Os E 14 12 10 1.489 109.902 -50.90 -0.5400
22 O4 Oh S 12 10 6 1.440 107.338 -72.13 -0.7120
23 H4O Ho E 22 12 10 0.960 109.466 -178.56 0.4200
24 O3 Os M 10 6 4 1.440 110.218 69.79 -0.5020
LOOP
O5 C1
DONE
3KB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Oh S 9 7 6 1.441 110.162 62.18 -0.6700
13 H6O Ho E 12 9 7 0.962 108.273 -57.74 0.4160
14 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
15 H4 H1 E 14 7 6 1.091 108.867 -172.31 0.0000
16 O4 Oh S 14 7 6 1.455 110.952 69.39 -0.7000
17 H4O Ho E 16 14 7 0.964 110.377 163.16 0.4250
18 C3 Cg M 14 7 6 1.545 111.117 -51.77 0.2530
19 H3 H1 E 18 14 7 1.091 109.391 173.95 0.0000
20 C2 Cg B 18 14 7 1.547 111.988 52.75 0.3080
21 H2 H1 E 20 18 14 1.091 108.509 65.85 0.0000
22 O2 Oh S 20 18 14 1.462 109.337 -176.76 -0.7100
23 H2O Ho E 22 20 18 0.965 108.091 178.76 0.4260
24 O3 Os M 18 14 7 1.452 107.992 -68.85 -0.4620
LOOP
C2 C1
DONE
3LA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 O2 Oh S 6 4 3 1.440 109.403 -55.56 -0.7240
9 H2O Ho E 8 6 4 0.960 109.415 -61.40 0.4310
10 C3 Cg M 6 4 3 1.541 112.432 -178.15 0.2530
11 H3 H1 E 10 6 4 1.091 109.206 67.02 0.0000
12 C4 Cg 3 10 6 4 1.544 111.714 -53.08 0.2040
13 H4 H1 E 12 10 6 1.091 109.766 175.51 0.0000
14 C5 Cg 3 12 10 6 1.544 110.422 54.48 0.2160
15 H5 H1 E 14 12 10 1.092 107.514 62.91 0.0000
16 C6 Cg 3 14 12 10 1.535 114.934 -177.18 0.3080
17 H62 H1 E 16 14 12 1.090 110.251 -53.15 0.0000
18 H61 H1 E 16 14 12 1.091 110.918 67.08 0.0000
19 O6 Oh S 16 14 12 1.434 108.858 -172.60 -0.6840
20 H6O Ho E 19 16 14 0.960 109.466 59.52 0.4180
21 O5 Os E 14 12 10 1.490 109.289 -54.45 -0.5270
22 O4 Oh S 12 10 6 1.445 109.785 -64.95 -0.6730
23 H4O Ho E 22 12 10 0.960 109.470 179.80 0.4360
24 O3 Os M 10 6 4 1.440 110.035 -174.48 -0.4620
LOOP
O5 C1
DONE
3LB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Oh S 9 7 6 1.437 109.027 63.12 -0.6930
13 H6O Ho E 12 9 7 0.961 107.830 -58.33 0.4190
14 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
15 H4 H1 E 14 7 6 1.091 109.333 -173.92 0.0000
16 O4 Oh S 14 7 6 1.449 109.628 67.34 -0.6640
17 H4O Ho E 16 14 7 0.967 107.158 -172.89 0.4370
18 C3 Cg M 14 7 6 1.546 110.517 -53.62 0.2590
19 H3 H1 E 18 14 7 1.092 108.098 -64.81 0.0000
20 C2 Cg B 18 14 7 1.547 112.254 55.04 0.3570
21 H2 H1 E 20 18 14 1.092 109.716 67.43 0.0000
22 O2 Oh S 20 18 14 1.459 108.705 -173.71 -0.7260
23 H2O Ho E 22 20 18 0.965 107.724 175.67 0.4320
24 O3 Os M 18 14 7 1.455 109.126 178.29 -0.4550
LOOP
C2 C1
DONE
3MA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 O2 Oh S 6 4 3 1.459 110.007 79.71 -0.7170
9 H2O Ho E 8 6 4 0.965 108.621 167.29 0.4460
10 C3 Cg M 6 4 3 1.545 110.571 -158.93 0.2520
11 H3 H1 E 10 6 4 1.092 108.528 64.93 0.0000
12 C4 Cg 3 10 6 4 1.549 111.609 -54.79 0.3260
13 H4 H1 E 12 10 6 1.091 109.865 -64.38 0.0000
14 C5 Cg 3 12 10 6 1.546 110.605 57.15 0.2760
15 H5 H1 E 14 12 10 1.092 108.214 65.71 0.0000
16 C6 Cg 3 14 12 10 1.544 112.153 -174.59 0.2660
17 H62 H1 E 16 14 12 1.090 110.579 -46.84 0.0000
18 H61 H1 E 16 14 12 1.091 110.051 72.33 0.0000
19 O6 Oh S 16 14 12 1.444 110.952 -166.67 -0.6880
20 H6O Ho E 19 16 14 0.960 109.923 72.72 0.4220
21 O5 Os E 14 12 10 1.497 110.394 -52.31 -0.5070
22 O4 Oh S 12 10 6 1.452 108.734 176.59 -0.7330
23 H4O Ho E 22 12 10 0.966 107.267 52.91 0.4380
24 O3 Os M 10 6 4 1.461 109.595 -177.93 -0.4590
LOOP
O5 C1
DONE
3MB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Oh S 9 7 6 1.439 109.850 57.44 -0.6800
13 H6O Ho E 12 9 7 0.962 108.414 -55.86 0.4190
14 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
15 H4 H1 E 14 7 6 1.091 109.789 70.94 0.0000
16 O4 Oh S 14 7 6 1.452 108.352 -170.58 -0.7460
17 H4O Ho E 16 14 7 0.963 108.380 -159.72 0.4430
18 C3 Cg M 14 7 6 1.553 110.419 -50.51 0.2630
19 H3 H1 E 18 14 7 1.092 108.588 -60.79 0.0000
20 C2 Cg B 18 14 7 1.547 110.623 57.43 0.2410
21 H2 H1 E 20 18 14 1.091 110.076 180.00 0.0000
22 O2 Oh S 20 18 14 1.459 110.769 59.28 -0.6640
23 H2O Ho E 22 20 18 0.964 107.524 -173.81 0.4310
24 O3 Os M 18 14 7 1.457 111.995 -178.50 -0.4560
LOOP
C2 C1
DONE
3NA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 O2 Oh S 6 4 3 1.439 110.664 -54.19 -0.6680
9 H2O Ho E 8 6 4 0.960 109.386 -64.68 0.4150
10 C3 Cg M 6 4 3 1.541 114.996 179.46 0.3300
11 H3 H1 E 10 6 4 1.091 109.966 -173.17 0.0000
12 C4 Cg 3 10 6 4 1.543 108.602 -52.73 0.1670
13 H4 H1 E 12 10 6 1.091 108.011 -66.83 0.0000
14 C5 Cg 3 12 10 6 1.545 113.659 53.52 0.4040
15 H5 H1 E 14 12 10 1.092 109.059 65.09 0.0000
16 C6 Cg 3 14 12 10 1.535 113.747 -172.97 0.2800
17 H62 H1 E 16 14 12 1.090 110.540 -56.41 0.0000
18 H61 H1 E 16 14 12 1.091 110.668 63.75 0.0000
19 O6 Oh S 16 14 12 1.434 109.011 -175.88 -0.6630
20 H6O Ho E 19 16 14 0.960 109.493 59.88 0.3960
21 O5 Os E 14 12 10 1.489 108.589 -53.11 -0.6110
22 O4 Oh S 12 10 6 1.439 109.206 176.30 -0.7330
23 H4O Ho E 22 12 10 0.960 109.442 -63.39 0.4440
24 O3 Os M 10 6 4 1.445 109.604 67.22 -0.4670
LOOP
O5 C1
DONE
3NB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Oh S 9 7 6 1.438 109.178 57.79 -0.6890
13 H6O Ho E 12 9 7 0.962 107.694 -47.58 0.4180
14 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
15 H4 H1 E 14 7 6 1.091 108.641 63.49 0.0000
16 O4 Oh S 14 7 6 1.447 110.674 -178.31 -0.7070
17 H4O Ho E 16 14 7 0.966 108.053 84.25 0.4300
18 C3 Cg M 14 7 6 1.546 111.303 -56.16 0.2340
19 H3 H1 E 18 14 7 1.092 109.685 177.82 0.0000
20 C2 Cg B 18 14 7 1.544 109.920 57.50 0.3010
21 H2 H1 E 20 18 14 1.093 108.226 64.66 0.0000
22 O2 Oh S 20 18 14 1.458 109.185 -178.16 -0.7030
23 H2O Ho E 22 20 18 0.966 108.382 -178.62 0.4240
24 O3 Os M 18 14 7 1.458 109.719 -63.09 -0.4200
LOOP
C2 C1
DONE
3OA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.395 99.023 -130.46 0.3050
5 H1 H2 E 4 3 2 1.090 24.072 100.29 0.0000
6 C2 Cg M 4 3 2 1.563 111.265 10.63 0.4130
7 H2 H1 E 6 4 3 1.091 108.988 73.46 0.0000
8 O2 Oh S 6 4 3 1.464 109.237 -44.39 -0.7710
9 H2O Ho E 8 6 4 0.966 105.614 -34.97 0.4310
10 C3 Cg M 6 4 3 1.548 110.939 -166.09 0.2510
11 H3 H1 E 10 6 4 1.092 108.206 62.18 0.0000
12 C4 Cg 3 10 6 4 1.551 110.284 -55.76 0.2670
13 H4 H1 E 12 10 6 1.091 109.469 -178.62 0.0000
14 C5 Cg 3 12 10 6 1.540 109.735 61.11 0.0540
15 H5 H1 E 14 12 10 1.092 108.800 60.69 0.0000
16 C6 C B 14 12 10 1.566 106.527 176.50 0.8960
17 O6A O2 E 16 14 12 1.252 116.529 -102.85 -0.8220
18 O6B O2 E 16 14 12 1.255 117.285 72.11 -0.8220
19 O5 Os E 14 12 10 1.515 109.060 -56.67 -0.4240
20 O4 Oh S 12 10 6 1.455 111.597 -58.02 -0.7040
21 H4O Ho E 20 12 10 0.981 106.629 154.94 0.4290
22 O3 Os M 10 6 4 1.460 111.666 179.27 -0.5030
LOOP
O5 C1
DONE
3OB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.376 98.399 -136.27 0.3010
5 H1 H2 E 4 3 2 1.091 69.069 -92.25 0.0000
6 O5 Os M 4 3 2 1.462 130.396 170.60 -0.4140
7 C5 Cg M 6 4 3 1.506 116.408 147.12 0.0490
8 H5 H1 E 7 6 4 1.092 106.456 -59.37 0.0000
9 C6 C B 7 6 4 1.574 118.473 -176.63 0.8380
10 O6B O2 E 9 7 6 1.256 116.247 -176.00 -0.7940
11 O6A O2 E 9 7 6 1.254 118.706 9.49 -0.7940
12 C4 Cg M 7 6 4 1.538 109.239 56.00 0.2600
13 H4 H1 E 12 7 6 1.091 109.884 -175.27 0.0000
14 O4 Oh S 12 7 6 1.450 109.662 65.53 -0.6610
15 H4O Ho E 14 12 7 0.961 107.547 -173.76 0.4020
16 C3 Cg M 12 7 6 1.548 110.856 -55.41 0.2590
17 H3 H1 E 16 12 7 1.092 108.063 -63.15 0.0000
18 C2 Cg B 16 12 7 1.553 111.733 55.81 0.3830
19 H2 H1 E 18 16 12 1.091 109.497 69.57 0.0000
20 O2 Oh S 18 16 12 1.460 110.302 -170.66 -0.7320
21 H2O Ho E 20 18 16 0.962 106.473 175.50 0.4010
22 O3 Os M 16 12 7 1.466 108.667 -179.51 -0.4980
LOOP
C2 C1
DONE
3PA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 25.577 79.066 -133.43 0.4170
5 C1 Cg 3 4 3 2 1.541 26.010 100.53 0.3270
6 H12 H1 E 5 4 3 1.091 110.581 1.25 0.0000
7 H11 H1 E 5 4 3 1.091 110.426 120.84 0.0000
8 O1 Oh S 5 4 3 1.436 110.176 -119.10 -0.6440
9 H1O Ho E 8 5 4 0.960 109.427 60.11 0.3930
10 C3 Cg M 4 3 2 1.558 99.850 -27.83 0.1500
11 H3 H1 E 10 4 3 1.091 107.175 74.35 0.0000
12 C4 Cg 3 10 4 3 1.543 115.259 -167.84 0.3940
13 H4 H1 E 12 10 4 1.091 110.047 -172.55 0.0000
14 C5 Cg 3 12 10 4 1.541 108.511 -52.13 0.1530
15 H5 H1 E 14 12 10 1.091 108.437 -65.69 0.0000
16 C6 Cg 3 14 12 10 1.536 113.177 54.52 0.3930
17 H6E H1 E 16 14 12 1.090 110.388 -174.85 0.0000
18 H6A H1 E 16 14 12 1.091 110.767 65.28 0.0000
19 O6 Os E 16 14 12 1.482 109.077 -55.00 -0.5980
20 O5 Oh S 14 12 10 1.437 110.081 176.63 -0.6930
21 H5O Ho E 20 14 12 0.960 109.495 56.94 0.4280
22 O4 Oh S 12 10 4 1.445 109.700 67.72 -0.7020
23 H4O Ho E 22 12 10 0.960 109.435 60.08 0.4320
24 O3 Os M 10 4 3 1.441 111.232 -41.58 -0.4500
LOOP
O6 C2
DONE
3PB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.410 98.300 -136.21 0.4070
5 C1 Cg 3 4 3 2 1.572 62.826 -96.98 0.3790
6 H12 H1 E 5 4 3 1.091 110.003 43.55 0.0000
7 H11 H1 E 5 4 3 1.088 110.382 162.11 0.0000
8 O1 Oh S 5 4 3 1.452 112.720 -77.60 -0.7200
9 H1O Ho E 8 5 4 0.961 109.403 -178.93 0.4100
10 O6 Os M 4 3 2 1.479 135.293 168.58 -0.5400
11 C6 Cg M 10 4 3 1.483 117.190 146.77 0.3640
12 H6E H1 E 11 10 4 1.090 109.004 179.12 0.0000
13 H6A H1 E 11 10 4 1.091 109.618 -62.69 0.0000
14 C5 Cg M 11 10 4 1.540 108.996 58.93 0.1880
15 H5 H1 E 14 11 10 1.091 108.080 63.62 0.0000
16 O5 Oh S 14 11 10 1.454 110.659 -178.62 -0.7050
17 H5O Ho E 16 14 11 0.967 108.400 85.69 0.4330
18 C4 Cg M 14 11 10 1.546 111.137 -55.37 0.3280
19 H4 H1 E 18 14 11 1.091 109.097 173.70 0.0000
20 O4 Oh S 18 14 11 1.453 109.563 -68.11 -0.6980
21 H4O Ho E 20 18 14 0.967 106.113 178.47 0.4270
22 C3 Cg M 18 14 11 1.548 111.648 53.12 0.1800
23 H3 H1 E 22 18 14 1.092 106.115 68.15 0.0000
24 O3 Os M 22 18 14 1.462 110.163 -176.47 -0.4530
LOOP
C3 C2
DONE
3PD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240
5 C1 Cg 3 4 3 2 1.533 28.030 -160.44 0.2860
6 H12 H1 E 5 4 3 1.091 110.436 100.46 0.0000
7 H11 H1 E 5 4 3 1.091 110.553 -139.51 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 -19.62 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 179.30 0.4190
10 C3 Cg M 4 3 2 1.632 94.644 -17.33 0.3340
11 H3 H1 E 10 4 3 1.090 107.716 7.04 0.0000
12 C4 Cg 3 10 4 3 1.629 107.129 121.35 0.2820
13 H4 H1 E 12 10 4 1.091 111.828 -141.87 0.0000
14 C5 Cg 3 12 10 4 1.626 106.867 -18.01 0.1940
15 H5 H1 E 14 12 10 1.092 111.109 129.12 0.0000
16 C6 Cg 3 14 12 10 1.529 112.801 -107.47 0.2910
17 H62 H1 E 16 14 12 1.091 110.695 60.83 0.0000
18 H61 H1 E 16 14 12 1.090 110.281 -59.44 0.0000
19 O6 Oh S 16 14 12 1.433 108.604 -178.96 -0.6950
20 H6O Ho E 19 16 14 0.960 109.454 59.02 0.4110
21 O5 Os E 14 12 10 1.580 105.532 10.85 -0.4530
22 O4 Oh S 12 10 4 1.437 109.593 96.29 -0.6830
23 H4O Ho E 22 12 10 0.960 109.464 62.85 0.4210
24 O3 Os M 10 4 3 1.441 114.290 -111.78 -0.4400
LOOP
O5 C2
DONE
3PU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880
5 C1 Cg 3 4 3 2 1.541 66.606 -151.42 0.3650
6 H12 H1 E 5 4 3 1.091 110.660 23.30 0.0000
7 H11 H1 E 5 4 3 1.090 109.918 142.71 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 -97.59 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 179.45 0.4180
10 O5 Os M 4 3 2 1.576 153.289 123.56 -0.4800
11 C5 Cg M 10 4 3 1.576 112.884 -156.65 0.3690
12 H5 H1 E 11 10 4 1.092 109.275 -128.49 0.0000
13 C6 Cg 3 11 10 4 1.529 108.414 112.31 0.2150
14 H62 H1 E 13 11 10 1.091 110.659 -56.54 0.0000
15 H61 H1 E 13 11 10 1.090 110.301 -176.80 0.0000
16 O6 Oh S 13 11 10 1.433 108.649 63.62 -0.6780
17 H6O Ho E 16 13 11 0.960 109.500 58.51 0.4210
18 C4 Cg M 11 10 4 1.623 105.494 -8.76 0.1920
19 H4 H1 E 18 11 10 1.091 112.074 133.66 0.0000
20 O4 Oh S 18 11 10 1.438 106.122 -107.17 -0.7110
21 H4O Ho E 20 18 11 0.960 109.445 -63.95 0.4380
22 C3 Cg M 18 11 10 1.631 107.338 11.41 0.3340
23 H3 H1 E 22 18 11 1.091 107.070 107.51 0.0000
24 O3 Os M 22 18 11 1.441 112.809 -134.73 -0.4840
LOOP
C3 C2
DONE
3QA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.541 98.563 -135.84 0.4650
5 H1 H1 E 4 3 2 1.090 143.841 166.97 0.0000
6 C2 Cg M 4 3 2 1.556 100.905 19.24 0.2810
7 H2 H1 E 6 4 3 1.091 107.701 -146.56 0.0000
8 O2 Oh S 6 4 3 1.464 109.956 96.40 -0.6950
9 H2O Ho E 8 6 4 0.963 109.360 -58.41 0.4220
10 C3 Cg M 6 4 3 1.550 110.755 -28.22 0.3120
11 H3 H1 E 10 6 4 1.092 109.248 69.54 0.0000
12 C4 Cg 3 10 6 4 1.550 112.115 -52.01 0.2080
13 H4 H1 E 12 10 6 1.092 109.113 -67.92 0.0000
14 C5 Cg 3 12 10 6 1.546 111.848 52.85 0.2340
15 H5 H1 E 14 12 10 1.092 108.966 67.39 0.0000
16 C6 Cg 3 14 12 10 1.531 114.081 -171.50 0.0600
17 H63 Hc E 16 14 12 1.091 111.703 58.97 0.0000
18 H62 Hc E 16 14 12 1.091 111.508 -61.39 0.0000
19 H61 Hc E 16 14 12 1.091 111.279 179.14 0.0000
20 O5 Os E 14 12 10 1.487 110.112 -51.22 -0.5590
21 O4 Oh S 12 10 6 1.456 109.169 173.44 -0.6640
22 H4O Ho E 21 12 10 0.963 110.329 161.22 0.4030
23 O3 Os M 10 6 4 1.451 110.060 -171.22 -0.4670
LOOP
O5 C1
DONE
3QB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.690 -136.00 0.3910
5 H1 H1 E 4 3 2 1.091 73.758 -94.90 0.0000
6 O5 Os M 4 3 2 1.461 131.794 163.13 -0.5350
7 C5 Cg M 6 4 3 1.486 115.375 148.89 0.2710
8 H5 H1 E 7 6 4 1.092 108.323 -60.93 0.0000
9 C6 Cg 3 7 6 4 1.530 107.192 -177.83 0.0480
10 H63 Hc E 9 7 6 1.091 111.710 -62.84 0.0000
11 H62 Hc E 9 7 6 1.091 111.509 176.79 0.0000
12 H61 Hc E 9 7 6 1.091 111.262 57.32 0.0000
13 C4 Cg M 7 6 4 1.548 109.336 58.05 0.2500
14 H4 H1 E 13 7 6 1.092 109.232 68.58 0.0000
15 O4 Oh S 13 7 6 1.451 108.892 -172.72 -0.7130
16 H4O Ho E 15 13 7 0.966 107.748 175.11 0.4210
17 C3 Cg M 13 7 6 1.549 111.410 -52.29 0.3000
18 H3 H1 E 17 13 7 1.092 108.988 -68.86 0.0000
19 C2 Cg B 17 13 7 1.546 112.577 52.00 0.3230
20 H2 H1 E 19 17 13 1.092 109.469 68.14 0.0000
21 O2 Oh S 19 17 13 1.460 109.130 -172.95 -0.7130
22 H2O Ho E 21 19 17 0.966 107.987 174.66 0.4200
23 O3 Os M 17 13 7 1.454 108.773 173.08 -0.4630
LOOP
C2 C1
DONE
3RA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.589 79.139 -133.47 0.4880
5 H1 H2 E 4 3 2 1.090 27.374 95.92 0.0000
6 C2 Cg M 4 3 2 1.547 95.699 -25.09 0.2530
7 H2 H1 E 6 4 3 1.091 106.529 74.90 0.0000
8 O2 Oh S 6 4 3 1.439 110.676 -40.46 -0.7110
9 H2O Ho E 8 6 4 0.960 109.367 -64.82 0.4190
10 C3 Cg M 6 4 3 1.542 115.155 -166.91 0.3450
11 H3 H1 E 10 6 4 1.091 110.101 -172.87 0.0000
12 C4 Cg 3 10 6 4 1.542 108.334 -52.41 0.1220
13 H4 H1 E 12 10 6 1.091 108.377 -66.41 0.0000
14 C5 Cg 3 12 10 6 1.537 113.340 53.79 0.3770
15 H5E H1 E 14 12 10 1.090 110.366 -174.24 0.0000
16 H5A H1 E 14 12 10 1.091 110.701 65.98 0.0000
17 O5 Os E 14 12 10 1.483 109.246 -54.31 -0.5610
18 O4 Oh S 12 10 6 1.437 110.093 175.95 -0.6630
19 H4O Ho E 18 12 10 0.960 109.433 -63.23 0.4190
20 O3 Os M 10 6 4 1.445 109.646 67.35 -0.4880
LOOP
O5 C1
DONE
3RB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.373 98.520 -136.09 0.4810
5 H1 H2 E 4 3 2 1.090 64.264 -93.14 0.0000
6 O5 Os M 4 3 2 1.470 130.910 172.20 -0.5760
7 C5 Cg M 6 4 3 1.488 115.378 141.01 0.3350
8 H5E H1 E 7 6 4 1.090 108.921 174.98 0.0000
9 H5A H1 E 7 6 4 1.091 109.218 -67.32 0.0000
10 C4 Cg M 7 6 4 1.549 109.926 54.38 0.2360
11 H4 H1 E 10 7 6 1.091 108.456 64.34 0.0000
12 O4 Oh S 10 7 6 1.453 110.505 -177.82 -0.6950
13 H4O Ho E 12 10 7 0.963 110.348 -165.05 0.4110
14 C3 Cg M 10 7 6 1.548 110.878 -55.20 0.2030
15 H3 H1 E 14 10 7 1.091 109.669 178.81 0.0000
16 C2 Cg B 14 10 7 1.550 108.635 58.91 0.3850
17 H2 H1 E 16 14 10 1.092 108.039 58.75 0.0000
18 O2 Oh S 16 14 10 1.459 111.068 175.70 -0.7320
19 H2O Ho E 18 16 14 0.963 108.588 169.06 0.4140
20 O3 Os M 14 10 7 1.460 108.674 -62.27 -0.4620
LOOP
C2 C1
DONE
3RD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 21.697 99.148 -131.21 0.4450
5 H1 H2 E 4 3 2 1.090 4.631 -133.95 0.0000
6 C2 Cg M 4 3 2 1.639 108.788 16.92 0.3180
7 H2 H1 E 6 4 3 1.090 106.253 24.71 0.0000
8 O2 Oh S 6 4 3 1.461 116.185 -94.11 -0.7090
9 H2O Ho E 8 6 4 0.962 110.320 178.71 0.4160
10 C3 Cg M 6 4 3 1.641 106.653 138.14 0.2750
11 H3 H1 E 10 6 4 1.090 110.829 -140.13 0.0000
12 C4 Cg 3 10 6 4 1.627 107.074 -17.90 0.3270
13 H4 H1 E 12 10 6 1.091 110.687 126.58 0.0000
14 C5 Cg 3 12 10 6 1.540 111.841 -110.98 0.1950
15 H52 H1 E 14 12 10 1.090 109.854 62.87 0.0000
16 H51 H1 E 14 12 10 1.090 109.790 -55.87 0.0000
17 O5 Oh S 14 12 10 1.441 111.480 -176.24 -0.6670
18 H5O Ho E 17 14 12 0.961 110.927 63.80 0.4080
19 O4 Os E 12 10 6 1.590 104.801 9.06 -0.5130
20 O3 Os M 10 6 4 1.452 110.052 99.39 -0.4950
LOOP
O4 C1
DONE
3RU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.636 98.718 -136.21 0.3780
5 H1 H1 E 4 3 2 1.091 92.407 -91.72 0.0000
6 O4 Os M 4 3 2 1.557 127.421 149.85 -0.4240
7 C4 Cg M 6 4 3 1.587 113.195 -122.12 0.1020
8 H4 H1 E 7 6 4 1.091 108.133 -112.74 0.0000
9 C5 Cg 3 7 6 4 1.534 111.781 126.34 0.3380
10 H52 H1 E 9 7 6 1.090 110.006 -172.13 0.0000
11 H51 H1 E 9 7 6 1.090 110.394 -52.52 0.0000
12 O5 Oh S 9 7 6 1.436 109.887 68.16 -0.6920
13 H5O Ho E 12 9 7 0.959 109.586 178.63 0.4150
14 C3 Cg M 7 6 4 1.616 104.949 4.12 0.2890
15 H3 H1 E 14 7 6 1.091 109.320 105.86 0.0000
16 C2 Cg B 14 7 6 1.643 107.735 -11.40 0.2930
17 H2 H1 E 16 14 7 1.091 110.396 135.88 0.0000
18 O2 Oh S 16 14 7 1.462 110.605 -103.78 -0.6700
19 H2O Ho E 18 16 14 0.963 109.628 -173.50 0.4200
20 O3 Os M 14 7 6 1.443 110.518 -134.81 -0.4490
LOOP
C2 C1
DONE
3TA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 O2 Oh S 6 4 3 1.440 106.453 57.61 -0.6550
9 H2O Ho E 8 6 4 0.960 109.490 -58.28 0.4360
10 C3 Cg M 6 4 3 1.545 112.024 178.31 0.1240
11 H3 H1 E 10 6 4 1.091 106.708 69.61 0.0000
12 C4 Cg 3 10 6 4 1.543 114.910 -48.48 0.4340
13 H4 H1 E 12 10 6 1.091 109.633 172.69 0.0000
14 C5 Cg 3 12 10 6 1.544 109.739 52.34 0.1570
15 H5 H1 E 14 12 10 1.092 107.463 63.77 0.0000
16 C6 Cg 3 14 12 10 1.535 114.896 -176.35 0.3040
17 H62 H1 E 16 14 12 1.090 110.263 -52.86 0.0000
18 H61 H1 E 16 14 12 1.091 110.896 67.37 0.0000
19 O6 Oh S 16 14 12 1.434 108.863 -172.31 -0.6690
20 H6O Ho E 19 16 14 0.960 109.462 59.57 0.4010
21 O5 Os E 14 12 10 1.488 109.541 -53.52 -0.4800
22 O4 Oh S 12 10 6 1.443 110.261 -67.82 -0.7310
23 H4O Ho E 22 12 10 0.960 109.459 -179.88 0.4170
24 O3 Os M 10 6 4 1.439 110.774 -174.86 -0.4390
LOOP
O5 C1
DONE
3TB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Oh S 9 7 6 1.434 108.837 64.00 -0.6660
13 H6O Ho E 12 9 7 0.960 109.430 -59.34 0.4060
14 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
15 H4 H1 E 14 7 6 1.091 109.475 -172.25 0.0000
16 O4 Oh S 14 7 6 1.443 108.917 69.31 -0.6260
17 H4O Ho E 16 14 7 0.960 109.455 59.28 0.4130
18 C3 Cg M 14 7 6 1.547 110.218 -51.66 0.1740
19 H3 H1 E 18 14 7 1.091 106.762 -67.21 0.0000
20 C2 Cg B 18 14 7 1.545 114.890 50.96 0.3400
21 H2 H1 E 20 18 14 1.091 109.957 -172.30 0.0000
22 O2 Oh S 20 18 14 1.444 109.766 67.90 -0.6370
23 H2O Ho E 22 20 18 0.960 109.413 -178.32 0.3970
24 O3 Os M 18 14 7 1.439 110.707 177.22 -0.4470
LOOP
C2 C1
DONE
3UA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.490 98.494 -135.80 0.3630
5 H1 H2 E 4 3 2 1.090 133.285 160.45 0.0000
6 C2 Cg M 4 3 2 1.559 106.137 19.27 0.2590
7 H2 H1 E 6 4 3 1.092 108.691 -14.77 0.0000
8 O2 Oh S 6 4 3 1.469 109.784 103.84 -0.6850
9 H2O Ho E 8 6 4 0.960 110.184 68.39 0.3850
10 C3 Cg M 6 4 3 1.555 110.585 -134.12 0.4170
11 H3 H1 E 10 6 4 1.092 108.809 -73.26 0.0000
12 C4 Cg 3 10 6 4 1.551 113.490 47.73 0.2230
13 H4 H1 E 12 10 6 1.092 108.495 63.78 0.0000
14 C5 Cg 3 12 10 6 1.541 110.331 -54.77 0.2320
15 H5 H1 E 14 12 10 1.091 107.517 172.11 0.0000
16 C6 C B 14 12 10 1.591 111.292 -72.79 0.6970
17 O6A O2 E 16 14 12 1.252 118.306 124.19 -0.7570
18 O6B O2 E 16 14 12 1.255 117.111 -52.87 -0.7570
19 O5 Os E 14 12 10 1.503 106.777 57.99 -0.5150
20 O4 Oh S 12 10 6 1.461 110.962 -178.03 -0.7110
21 H4O Ho E 20 12 10 0.984 107.477 94.04 0.3970
22 O3 Os M 10 6 4 1.454 110.391 168.10 -0.5480
LOOP
O5 C1
DONE
3UB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.486 98.866 -136.63 0.2780
5 H1 H2 E 4 3 2 1.090 81.785 -98.80 0.0000
6 O5 Os M 4 3 2 1.478 136.016 152.83 -0.4300
7 C5 Cg M 6 4 3 1.512 117.828 -89.26 0.1940
8 H5 H1 E 7 6 4 1.091 106.542 -169.54 0.0000
9 C6 C B 7 6 4 1.581 117.000 73.30 0.7500
10 O6B O2 E 9 7 6 1.255 117.682 -174.70 -0.7830
11 O6A O2 E 9 7 6 1.252 117.516 3.62 -0.7830
12 C4 Cg M 7 6 4 1.546 108.685 -54.23 0.3080
13 H4 H1 E 12 7 6 1.092 107.557 -65.54 0.0000
14 O4 Oh S 12 7 6 1.456 111.691 177.10 -0.7450
15 H4O Ho E 14 12 7 0.987 106.847 -27.71 0.4220
16 C3 Cg M 12 7 6 1.552 112.015 52.87 0.2860
17 H3 H1 E 16 12 7 1.091 109.935 64.98 0.0000
18 C2 Cg B 16 12 7 1.545 109.635 -56.37 0.2890
19 H2 H1 E 18 16 12 1.091 107.746 -60.80 0.0000
20 O2 Oh S 18 16 12 1.455 110.598 -177.09 -0.6800
21 H2O Ho E 20 18 16 0.964 105.470 34.40 0.4220
22 O3 Os M 16 12 7 1.460 108.958 -175.86 -0.5280
LOOP
C2 C1
DONE
3VA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.481 98.684 -135.89 0.3890
5 H1 H2 E 4 3 2 1.090 143.995 158.32 0.0000
6 C2 Cg M 4 3 2 1.564 98.936 18.14 0.3990
7 H2 H1 E 6 4 3 1.092 107.476 -151.91 0.0000
8 N2 Ng B 6 4 3 1.483 111.776 89.86 -0.5950
9 H2N H E 8 6 4 1.007 117.335 -84.05 0.2380
10 C2N C B 8 6 4 1.336 122.570 82.01 0.6250
11 CME Cg 3 10 8 6 1.541 116.317 -175.68 0.0320
12 H3M Hc E 11 10 8 1.091 110.069 50.52 0.0000
13 H2M Hc E 11 10 8 1.091 110.181 170.34 0.0000
14 H1M Hc E 11 10 8 1.091 109.644 -69.76 0.0000
15 O2N O E 10 8 6 1.227 121.897 4.65 -0.6050
16 C3 Cg M 6 4 3 1.551 110.856 -34.26 0.1760
17 H3 H1 E 16 6 4 1.091 108.463 65.04 0.0000
18 C4 Cg 3 16 6 4 1.547 111.657 -53.80 0.3260
19 H4 H1 E 18 16 6 1.091 109.161 175.84 0.0000
20 C5 Cg 3 18 16 6 1.548 111.081 55.51 0.1120
21 H5 H1 E 20 18 16 1.091 106.814 64.45 0.0000
22 C6 Cg 3 20 18 16 1.543 114.704 -178.15 0.3620
23 H62 H1 E 22 20 18 1.090 110.167 -176.18 0.0000
24 H61 H1 E 22 20 18 1.090 109.608 -57.43 0.0000
25 O6 Oh S 22 20 18 1.435 111.052 62.92 -0.7110
26 H6O Ho E 25 22 20 0.972 106.687 -28.27 0.4240
27 O5 Os E 20 18 16 1.497 110.914 -51.89 -0.4660
28 O4 Oh S 18 16 6 1.450 108.917 -66.09 -0.7010
29 H4O Ho E 28 18 16 0.968 106.613 -47.88 0.4420
30 O3 Os M 16 6 4 1.462 112.217 -176.56 -0.4470
LOOP
O5 C1
DONE
3VB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.423 98.572 -136.34 0.3050
5 H1 H2 E 4 3 2 1.091 71.466 -92.28 0.0000
6 O5 Os M 4 3 2 1.472 131.894 169.48 -0.4080
7 C5 Cg M 6 4 3 1.495 116.111 147.03 0.1360
8 H5 H1 E 7 6 4 1.092 107.966 -63.70 0.0000
9 C6 Cg 3 7 6 4 1.539 109.857 178.62 0.3530
10 H62 H1 E 9 7 6 1.090 110.929 -56.55 0.0000
11 H61 H1 E 9 7 6 1.091 110.331 -176.87 0.0000
12 O6 Oh S 9 7 6 1.436 108.896 63.69 -0.7140
13 H6O Ho E 12 9 7 0.962 107.704 -58.75 0.4270
14 C4 Cg M 7 6 4 1.544 110.300 53.58 0.2530
15 H4 H1 E 14 7 6 1.091 109.265 -173.55 0.0000
16 O4 Oh S 14 7 6 1.445 109.653 67.69 -0.6900
17 H4O Ho E 16 14 7 0.968 108.059 -163.84 0.4400
18 C3 Cg M 14 7 6 1.544 111.265 -52.85 0.1520
19 H3 H1 E 18 14 7 1.092 108.104 -62.30 0.0000
20 C2 Cg B 18 14 7 1.558 111.369 56.32 0.5440
21 H2 H1 E 20 18 14 1.091 108.714 61.92 0.0000
22 N2 Ng B 20 18 14 1.481 110.595 -177.69 -0.6860
23 H2N H E 22 20 18 1.005 118.080 75.06 0.2540
24 C2N C B 22 20 18 1.336 122.747 -106.72 0.5860
25 O2N O E 24 22 20 1.227 122.402 0.23 -0.5640
26 CME Cg 3 24 22 20 1.543 116.272 179.61 0.0560
27 H3M Hc E 26 24 22 1.092 110.645 35.56 0.0000
28 H2M Hc E 26 24 22 1.091 109.982 155.53 0.0000
29 H1M Hc E 26 24 22 1.091 109.419 -84.79 0.0000
30 O3 Os M 18 14 7 1.462 108.677 -178.29 -0.4440
LOOP
C2 C1
DONE
3WA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.550 -135.71 0.4621
5 H1 H2 E 4 3 2 1.090 140.848 159.80 0.0000
6 C2 Cg M 4 3 2 1.554 101.409 17.32 0.2750
7 H2 H1 E 6 4 3 1.092 108.155 87.79 0.0000
8 N2 Ng B 6 4 3 1.482 111.229 -154.80 -0.4751
9 H2N H E 8 6 4 1.007 117.562 110.34 0.2142
10 C2N C B 8 6 4 1.336 123.787 -73.97 0.5909
11 CME Cg 3 10 8 6 1.539 115.681 -177.62 -0.0340
12 H3M Hc E 11 10 8 1.091 109.810 -60.19 0.0000
13 H2M Hc E 11 10 8 1.091 110.252 179.93 0.0000
14 H1M Hc E 11 10 8 1.091 109.868 60.00 0.0000
15 O2N O E 10 8 6 1.229 122.265 3.32 -0.5757
16 C3 Cg M 6 4 3 1.549 109.899 -30.46 0.2520
17 H3 H1 E 16 6 4 1.091 108.295 65.94 0.0000
18 C4 Cg 3 16 6 4 1.550 112.400 -53.90 0.3213
19 H4 H1 E 18 16 6 1.091 108.333 -69.37 0.0000
20 C5 Cg 3 18 16 6 1.547 112.664 51.61 0.2421
21 H5 H1 E 20 18 16 1.092 107.873 70.23 0.0000
22 C6 Cg 3 20 18 16 1.545 113.564 -171.33 0.2995
23 H62 H1 E 22 20 18 1.090 109.575 173.73 0.0000
24 H61 H1 E 22 20 18 1.090 109.924 -68.06 0.0000
25 O6 Oh S 22 20 18 1.443 112.033 52.74 -0.6618
26 H6O Ho E 25 22 20 0.961 109.813 -82.79 0.3959
27 O5 Os E 20 18 16 1.495 111.317 -46.63 -0.5415
28 O4 Oh S 18 16 6 1.458 109.485 172.59 -0.7305
29 H4O Ho E 28 18 16 0.964 111.017 -55.33 0.4424
30 O3 Os M 16 6 4 1.455 110.348 -176.42 -0.4768
LOOP
O5 C1
DONE
3WB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.516 98.511 -136.43 0.3870
5 H1 H2 E 4 3 2 1.091 72.898 -90.19 0.0000
6 O5 Os M 4 3 2 1.464 129.676 168.95 -0.4980
7 C5 Cg M 6 4 3 1.498 114.507 143.60 0.3210
8 H5 H1 E 7 6 4 1.092 108.050 -62.29 0.0000
9 C6 Cg 3 7 6 4 1.542 108.838 -179.98 0.2470
10 H62 H1 E 9 7 6 1.091 110.098 -62.68 0.0000
11 H61 H1 E 9 7 6 1.090 110.437 177.81 0.0000
12 O6 Oh S 9 7 6 1.442 110.379 57.48 -0.6630
13 H6O Ho E 12 9 7 0.962 108.929 -56.35 0.4130
14 C4 Cg M 7 6 4 1.549 109.860 56.38 0.2770
15 H4 H1 E 14 7 6 1.092 109.334 70.38 0.0000
16 O4 Oh S 14 7 6 1.447 108.932 -170.99 -0.7430
17 H4O Ho E 16 14 7 0.968 107.478 170.69 0.4390
18 C3 Cg M 14 7 6 1.551 111.754 -50.66 0.2170
19 H3 H1 E 18 14 7 1.092 108.749 -66.35 0.0000
20 C2 Cg B 18 14 7 1.550 112.012 52.70 0.2940
21 H2 H1 E 20 18 14 1.092 107.937 -171.40 0.0000
22 N2 Ng B 20 18 14 1.485 111.811 69.61 -0.5580
23 H2N H E 22 20 18 1.007 117.378 -91.94 0.2650
24 C2N C B 22 20 18 1.337 123.528 90.12 0.5850
25 O2N O E 24 22 20 1.229 121.350 -4.57 -0.6000
26 CME Cg 3 24 22 20 1.544 116.722 177.13 0.0560
27 H3M Hc E 26 24 22 1.092 111.211 -15.23 0.0000
28 H2M Hc E 26 24 22 1.091 109.840 -135.47 0.0000
29 H1M Hc E 26 24 22 1.090 109.199 104.92 0.0000
30 O3 Os M 18 14 7 1.458 109.433 176.28 -0.4390
LOOP
C2 C1
DONE
3XA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.552 98.376 -135.65 0.4820
5 H1 H2 E 4 3 2 1.090 143.066 154.55 0.0000
6 C2 Cg M 4 3 2 1.552 98.681 14.07 0.1970
7 H2 H1 E 6 4 3 1.091 107.726 -152.01 0.0000
8 O2 Oh S 6 4 3 1.464 111.006 90.26 -0.6560
9 H2O Ho E 8 6 4 0.967 109.241 -39.05 0.4090
10 C3 Cg M 6 4 3 1.543 111.214 -33.26 0.3590
11 H3 H1 E 10 6 4 1.092 109.408 69.19 0.0000
12 C4 Cg 3 10 6 4 1.547 112.192 -52.80 0.2470
13 H4 H1 E 12 10 6 1.091 109.623 -66.19 0.0000
14 C5 Cg 3 12 10 6 1.539 110.634 53.97 0.3350
15 H5E H1 E 14 12 10 1.090 109.984 -172.58 0.0000
16 H5A H1 E 14 12 10 1.091 110.140 68.68 0.0000
17 O5 Os E 14 12 10 1.489 111.025 -51.97 -0.5880
18 O4 Oh S 12 10 6 1.453 110.240 174.10 -0.7200
19 H4O Ho E 18 12 10 0.967 107.931 54.72 0.4200
20 O3 Os M 10 6 4 1.451 108.116 -172.55 -0.4850
LOOP
O5 C1
DONE
3XB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.682 98.802 -135.60 0.2480
5 H1 H2 E 4 3 2 1.091 72.415 -93.43 0.0000
6 O5 Os M 4 3 2 1.466 132.232 166.71 -0.4470
7 C5 Cg M 6 4 3 1.482 115.196 148.40 0.3030
8 H5E H1 E 7 6 4 1.090 109.061 178.41 0.0000
9 H5A H1 E 7 6 4 1.092 109.076 -63.64 0.0000
10 C4 Cg M 7 6 4 1.541 109.795 57.60 0.2860
11 H4 H1 E 10 7 6 1.091 109.061 67.02 0.0000
12 O4 Oh S 10 7 6 1.447 108.470 -174.60 -0.7230
13 H4O Ho E 12 10 7 0.966 107.383 173.28 0.4300
14 C3 Cg M 10 7 6 1.546 111.571 -54.26 0.2280
15 H3 H1 E 14 10 7 1.092 109.010 -67.31 0.0000
16 C2 Cg B 14 10 7 1.547 111.370 53.00 0.4250
17 H2 H1 E 16 14 10 1.092 109.571 69.62 0.0000
18 O2 Oh S 16 14 10 1.452 108.733 -171.44 -0.6990
19 H2O Ho E 18 16 14 0.965 106.939 170.97 0.3980
20 O3 Os M 14 10 7 1.458 108.945 174.50 -0.4490
LOOP
C2 C1
DONE
3XD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.757 98.427 -135.59 0.4280
5 H1 H1 E 4 3 2 1.090 154.297 167.70 0.0000
6 C2 Cg M 4 3 2 1.636 88.449 18.82 0.2480
7 H2 H1 E 6 4 3 1.091 107.679 -173.80 0.0000
8 O2 Oh S 6 4 3 1.455 113.910 66.16 -0.6570
9 H2O Ho E 8 6 4 0.967 107.830 -15.92 0.4070
10 C3 Cg M 6 4 3 1.634 106.860 -57.15 0.3020
11 H3 H1 E 10 6 4 1.091 108.695 100.33 0.0000
12 C4 Cg 3 10 6 4 1.626 107.473 -15.89 0.2370
13 H4 H1 E 12 10 6 1.090 108.401 126.25 0.0000
14 C5 Cg 3 12 10 6 1.543 116.861 -110.85 0.2800
15 H52 H1 E 14 12 10 1.090 109.111 -166.53 0.0000
16 H51 H1 E 14 12 10 1.090 111.083 -47.72 0.0000
17 O5 Oh S 14 12 10 1.441 110.629 74.51 -0.6780
18 H5O Ho E 17 14 12 0.962 107.911 53.44 0.4220
19 O4 Os E 12 10 6 1.593 104.822 10.20 -0.5070
20 O3 Os M 10 6 4 1.447 111.050 -140.89 -0.4820
LOOP
O4 C1
DONE
3XU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.387 98.861 -135.83 0.3880
5 H1 H2 E 4 3 2 1.090 46.961 -113.71 0.0000
6 O4 Os M 4 3 2 1.557 141.976 -176.87 -0.4270
7 C4 Cg M 6 4 3 1.585 113.491 160.80 0.1420
8 H4 H1 E 7 6 4 1.091 108.575 -119.30 0.0000
9 C5 Cg 3 7 6 4 1.541 109.761 121.74 0.2850
10 H52 H1 E 9 7 6 1.091 110.415 -59.53 0.0000
11 H51 H1 E 9 7 6 1.090 109.960 -179.16 0.0000
12 O5 Oh S 9 7 6 1.439 110.113 61.06 -0.6350
13 H5O Ho E 12 9 7 0.959 109.575 48.10 0.3960
14 C3 Cg M 7 6 4 1.626 104.984 -3.27 0.2240
15 H3 H1 E 14 7 6 1.091 107.946 -110.07 0.0000
16 C2 Cg B 14 7 6 1.636 107.660 8.09 0.3820
17 H2 H1 E 16 14 7 1.091 109.319 108.55 0.0000
18 O2 Oh S 16 14 7 1.454 110.186 -132.48 -0.7310
19 H2O Ho E 18 16 14 0.963 109.130 -172.15 0.4200
20 O3 Os M 14 7 6 1.450 112.399 130.64 -0.4440
LOOP
C2 C1
DONE
3YA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.519 98.653 -135.65 0.4680
5 H1 H2 E 4 3 2 1.090 141.692 162.29 0.0000
6 C2 Cg M 4 3 2 1.558 103.961 13.89 0.2450
7 H2 H1 E 6 4 3 1.092 106.853 -149.41 0.0000
8 N2 Ng B 6 4 3 1.486 111.224 93.53 -0.5520
9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360
10 C2N C B 8 6 4 1.338 124.714 152.48 0.5880
11 CME Cg 3 10 8 6 1.544 117.110 -175.73 0.0630
12 H3M Hc E 11 10 8 1.092 111.363 2.06 0.0000
13 H2M Hc E 11 10 8 1.091 109.387 122.31 0.0000
14 H1M Hc E 11 10 8 1.090 109.379 -118.32 0.0000
15 O2N O E 10 8 6 1.228 121.379 4.88 -0.5790
16 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650
17 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000
18 C4 Cg 3 16 6 4 1.546 112.211 -50.71 0.3220
19 H4 H1 E 18 16 6 1.091 108.977 -70.26 0.0000
20 C5 Cg 3 18 16 6 1.544 112.523 51.74 0.2460
21 H5 H1 E 20 18 16 1.092 108.088 68.11 0.0000
22 C6 Cg 3 20 18 16 1.544 112.817 -173.43 0.3280
23 H62 H1 E 22 20 18 1.090 110.073 -62.63 0.0000
24 H61 H1 E 22 20 18 1.090 109.603 179.01 0.0000
25 O6 Oh S 22 20 18 1.444 111.701 58.39 -0.6880
26 H6O Ho E 25 22 20 0.960 109.460 179.56 0.4210
27 O5 Os E 20 18 16 1.500 111.305 -49.14 -0.5680
28 O4 Oh S 18 16 6 1.448 107.905 171.55 -0.7330
29 H4O Ho E 28 18 16 0.967 106.060 48.68 0.4490
30 O3 Os M 16 6 4 1.457 109.988 -171.07 -0.4110
LOOP
O5 C1
DONE
3YB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.493 98.498 -136.36 0.2870
5 H1 H2 E 4 3 2 1.091 71.450 -93.59 0.0000
6 O5 Os M 4 3 2 1.468 130.511 167.53 -0.4330
7 C5 Cg M 6 4 3 1.493 115.188 144.42 0.2080
8 H5 H1 E 7 6 4 1.092 108.293 -60.80 0.0000
9 C6 Cg 3 7 6 4 1.540 109.520 -179.10 0.2890
10 H62 H1 E 9 7 6 1.091 110.298 -62.00 0.0000
11 H61 H1 E 9 7 6 1.090 110.526 178.17 0.0000
12 O6 Oh S 9 7 6 1.439 109.712 58.17 -0.6890
13 H6O Ho E 12 9 7 0.961 108.379 -54.80 0.4240
14 C4 Cg M 7 6 4 1.542 108.679 57.57 0.3020
15 H4 H1 E 14 7 6 1.092 109.552 66.23 0.0000
16 O4 Oh S 14 7 6 1.444 108.611 -175.00 -0.7160
17 H4O Ho E 16 14 7 0.967 106.789 174.20 0.4360
18 C3 Cg M 14 7 6 1.547 111.743 -55.34 0.1800
19 H3 H1 E 18 14 7 1.092 108.855 -63.61 0.0000
20 C2 Cg B 18 14 7 1.555 110.847 55.82 0.4800
21 H2 H1 E 20 18 14 1.092 108.016 63.51 0.0000
22 N2 Ng B 20 18 14 1.484 110.897 -176.40 -0.7220
23 H2N H E 22 20 18 1.006 117.592 78.54 0.3000
24 C2N C B 22 20 18 1.336 123.143 -111.93 0.6480
25 O2N O E 24 22 20 1.226 122.116 6.61 -0.5760
26 CME Cg 3 24 22 20 1.542 116.434 -175.43 0.0340
27 H3M Hc E 26 24 22 1.092 110.630 37.74 0.0000
28 H2M Hc E 26 24 22 1.091 110.076 157.79 0.0000
29 H1M Hc E 26 24 22 1.091 109.335 -82.58 0.0000
30 O3 Os M 18 14 7 1.462 108.350 179.31 -0.4520
LOOP
C2 C1
DONE
3ZA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.420 99.000 -130.34 0.3980
5 H1 H2 E 4 3 2 1.090 21.912 102.13 0.0000
6 C2 Cg M 4 3 2 1.551 109.472 7.93 0.3260
7 H2 H1 E 6 4 3 1.091 107.487 74.75 0.0000
8 O2 Oh S 6 4 3 1.467 110.139 -42.45 -0.7320
9 H2O Ho E 8 6 4 0.965 107.076 -40.93 0.4060
10 C3 Cg M 6 4 3 1.547 112.398 -166.09 0.3000
11 H3 H1 E 10 6 4 1.092 108.680 71.61 0.0000
12 C4 Cg 3 10 6 4 1.555 112.948 -49.44 0.1930
13 H4 H1 E 12 10 6 1.091 109.268 -72.54 0.0000
14 C5 Cg 3 12 10 6 1.550 113.190 48.46 0.1870
15 H5 H1 E 14 12 10 1.092 106.693 67.16 0.0000
16 C6 C B 14 12 10 1.597 111.674 -179.86 0.7980
17 O6A O2 E 16 14 12 1.259 117.589 -37.92 -0.7870
18 O6B O2 E 16 14 12 1.252 118.424 145.06 -0.7870
19 O5 Os E 14 12 10 1.515 110.155 -47.11 -0.5440
20 O4 Oh S 12 10 6 1.452 109.657 168.36 -0.6820
21 H4O Ho E 20 12 10 0.983 105.869 -171.10 0.4220
22 O3 Os M 10 6 4 1.458 107.208 -171.22 -0.4980
LOOP
O5 C1
DONE
3ZB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.413 98.374 -136.24 0.2510
5 H1 H2 E 4 3 2 1.091 70.111 -94.11 0.0000
6 O5 Os M 4 3 2 1.460 133.490 168.28 -0.4130
7 C5 Cg M 6 4 3 1.502 116.304 144.38 0.0750
8 H5 H1 E 7 6 4 1.092 106.868 -58.62 0.0000
9 C6 C B 7 6 4 1.584 116.788 -176.23 0.8930
10 O6B O2 E 9 7 6 1.258 117.333 -166.06 -0.8180
11 O6A O2 E 9 7 6 1.252 118.262 15.31 -0.8180
12 C4 Cg M 7 6 4 1.542 108.303 57.48 0.2670
13 H4 H1 E 12 7 6 1.092 108.248 69.44 0.0000
14 O4 Oh S 12 7 6 1.449 108.907 -172.84 -0.7330
15 H4O Ho E 14 12 7 0.987 105.292 -42.75 0.4290
16 C3 Cg M 12 7 6 1.552 113.280 -51.87 0.2660
17 H3 H1 E 16 12 7 1.092 108.760 -69.98 0.0000
18 C2 Cg B 16 12 7 1.551 112.291 50.40 0.4110
19 H2 H1 E 18 16 12 1.092 109.200 71.99 0.0000
20 O2 Oh S 18 16 12 1.458 111.055 -168.01 -0.7400
21 H2O Ho E 20 18 16 0.962 106.072 172.93 0.4220
22 O3 Os M 16 12 7 1.459 107.412 172.72 -0.4920
LOOP
C2 C1
DONE
3aA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.188 125.377 -138.64 0.4480
5 H1 H2 E 4 3 2 1.091 32.906 146.73 0.0000
6 O5 Os M 4 3 2 1.484 133.629 99.38 -0.5640
7 C5 Cg M 6 4 3 1.479 117.874 -165.14 0.3790
8 H5A H1 E 7 6 4 1.091 109.412 64.62 0.0000
9 H5E H1 E 7 6 4 1.090 109.141 -176.99 0.0000
10 C4 Cg M 7 6 4 1.532 108.551 -56.56 0.2450
11 H4 H1 E 10 7 6 1.091 108.287 -64.52 0.0000
12 O4 Oh S 10 7 6 1.437 109.023 178.50 -0.7480
13 H4O Ho E 12 10 7 0.960 109.412 -63.47 0.4340
14 C3 Cg M 10 7 6 1.543 112.944 55.64 0.3350
15 H3 H1 E 14 10 7 1.091 109.892 -174.01 0.0000
16 C2 Cg B 14 10 7 1.543 111.532 -51.47 0.2680
17 H2 H1 E 16 14 10 1.092 109.910 169.41 0.0000
18 O2 Oh S 16 14 10 1.437 107.286 -74.11 -0.7350
19 H2O Ho E 18 16 14 0.960 109.480 -58.08 0.4430
20 O3 Os M 14 10 7 1.441 110.011 67.03 -0.5050
LOOP
C2 C1
DONE
3aB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.197 114.912 -133.16 0.3790
5 H1 H2 E 4 3 2 1.091 60.190 -69.03 0.0000
6 C2 Cg M 4 3 2 1.563 137.254 -156.94 0.3000
7 H2 H1 E 6 4 3 1.091 109.469 14.39 0.0000
8 O2 Oh S 6 4 3 1.460 111.691 -105.49 -0.7000
9 H2O Ho E 8 6 4 0.965 107.206 46.97 0.4180
10 C3 Cg M 6 4 3 1.543 109.402 134.96 0.2970
11 H3 H1 E 10 6 4 1.091 109.527 174.23 0.0000
12 C4 Cg 3 10 6 4 1.551 111.469 53.21 0.2240
13 H4 H1 E 12 10 6 1.091 108.923 64.26 0.0000
14 C5 Cg 3 12 10 6 1.546 111.087 -54.81 0.3560
15 H5A H1 E 14 12 10 1.091 110.570 -66.53 0.0000
16 H5E H1 E 14 12 10 1.090 109.958 174.33 0.0000
17 O5 Os E 14 12 10 1.485 110.184 54.27 -0.5290
18 O4 Oh S 12 10 6 1.458 110.429 -177.71 -0.7300
19 H4O Ho E 18 12 10 0.964 110.010 -85.04 0.4400
20 O3 Os M 10 6 4 1.454 108.942 -67.85 -0.4550
LOOP
O5 C1
DONE
3aD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.368 114.897 -133.01 0.3680
5 H1 H2 E 4 3 2 1.090 119.976 17.53 0.0000
6 O4 Os M 4 3 2 1.561 59.259 -79.14 -0.4530
7 C4 Cg M 6 4 3 1.585 113.130 -121.92 0.1470
8 H4 H1 E 7 6 4 1.091 108.094 110.87 0.0000
9 C5 Cg 3 7 6 4 1.531 111.011 -129.51 0.3380
10 H51 H1 E 9 7 6 1.090 110.161 -65.64 0.0000
11 H52 H1 E 9 7 6 1.090 110.286 174.71 0.0000
12 O5 Oh S 9 7 6 1.438 109.271 54.27 -0.6960
13 H5O Ho E 12 9 7 0.963 107.879 -70.16 0.3990
14 C3 Cg M 7 6 4 1.617 105.385 -6.71 0.3700
15 H3 H1 E 14 7 6 1.091 110.266 -112.89 0.0000
16 C2 Cg B 14 7 6 1.638 107.830 6.88 0.2780
17 H2 H1 E 16 14 7 1.092 109.588 114.25 0.0000
18 O2 Oh S 16 14 7 1.459 110.296 -126.81 -0.6880
19 H2O Ho E 18 16 14 0.962 111.196 67.05 0.4300
20 O3 Os M 14 7 6 1.445 109.680 127.75 -0.4930
LOOP
C2 C1
DONE
3aU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.454 114.767 -133.16 0.4770
5 H1 H2 E 4 3 2 1.090 87.975 -58.14 0.0000
6 C2 Cg M 4 3 2 1.636 130.777 -176.24 0.3280
7 H2 H1 E 6 4 3 1.091 107.572 122.70 0.0000
8 O2 Oh S 6 4 3 1.456 114.449 2.64 -0.7210
9 H2O Ho E 8 6 4 0.967 108.079 -13.83 0.4170
10 C3 Cg M 6 4 3 1.636 107.243 -120.25 0.2150
11 H3 H1 E 10 6 4 1.091 109.548 106.72 0.0000
12 C4 Cg 3 10 6 4 1.623 107.636 -12.21 0.3270
13 H4 H1 E 12 10 6 1.091 110.021 -108.06 0.0000
14 C5 Cg 3 12 10 6 1.536 113.561 128.49 0.2270
15 H51 H1 E 14 12 10 1.090 110.273 60.89 0.0000
16 H52 H1 E 14 12 10 1.090 110.003 -58.63 0.0000
17 O5 Oh S 14 12 10 1.440 109.976 -178.69 -0.6500
18 H5O Ho E 17 14 12 0.963 109.100 48.75 0.3970
19 O4 Os E 12 10 6 1.592 104.988 8.35 -0.5320
20 O3 Os M 10 6 4 1.449 110.684 -133.44 -0.4850
LOOP
O4 C1
DONE
3bA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.597 116.875 -129.05 0.1300
5 C1 Cg 3 4 3 2 1.560 38.289 130.05 0.4280
6 H11 H1 E 5 4 3 1.090 109.813 -63.29 0.0000
7 H12 H1 E 5 4 3 1.091 110.098 55.13 0.0000
8 O1 Oh S 5 4 3 1.443 112.003 175.62 -0.6780
9 H1O Ho E 8 5 4 0.961 107.457 -73.22 0.3990
10 O6 Os M 4 3 2 1.483 117.931 41.66 -0.5070
11 C6 Cg M 10 4 3 1.491 117.309 -140.69 0.3410
12 H6A H1 E 11 10 4 1.091 108.839 69.58 0.0000
13 H6E H1 E 11 10 4 1.090 108.907 -173.08 0.0000
14 C5 Cg M 11 10 4 1.544 111.103 -51.77 0.2240
15 H5 H1 E 14 11 10 1.091 108.357 -70.02 0.0000
16 O5 Oh S 14 11 10 1.455 108.467 172.51 -0.6900
17 H5O Ho E 16 14 11 0.963 109.307 159.42 0.4290
18 C4 Cg M 14 11 10 1.550 111.673 50.56 0.3350
19 H4 H1 E 18 14 11 1.092 110.207 65.56 0.0000
20 O4 Oh S 18 14 11 1.461 109.228 -175.33 -0.7240
21 H4O Ho E 20 18 14 0.964 108.580 -89.49 0.4210
22 C3 Cg M 18 14 11 1.548 109.394 -55.39 0.3720
23 H3 H1 E 22 18 14 1.092 107.364 -59.65 0.0000
24 O3 Os M 22 18 14 1.456 111.878 -176.69 -0.4800
LOOP
C3 C2
DONE
3bB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.272 115.141 -133.35 0.2270
5 C1 Cg 3 4 3 2 1.563 58.191 -68.63 0.2810
6 H11 H1 E 5 4 3 1.090 110.121 173.79 0.0000
7 H12 H1 E 5 4 3 1.091 110.325 -67.50 0.0000
8 O1 Oh S 5 4 3 1.444 111.743 53.37 -0.6260
9 H1O Ho E 8 5 4 0.960 109.452 -179.75 0.3950
10 C3 Cg M 4 3 2 1.564 137.751 -159.39 0.4640
11 H3 H1 E 10 4 3 1.092 108.642 -99.82 0.0000
12 C4 Cg 3 10 4 3 1.550 112.585 140.12 0.1080
13 H4 H1 E 12 10 4 1.092 109.044 -68.01 0.0000
14 C5 Cg 3 12 10 4 1.545 110.670 52.19 0.3400
15 H5 H1 E 14 12 10 1.091 109.543 69.26 0.0000
16 C6 Cg 3 14 12 10 1.543 112.662 -52.18 0.3110
17 H6A H1 E 16 14 12 1.091 110.545 -68.04 0.0000
18 H6E H1 E 16 14 12 1.090 110.160 172.58 0.0000
19 O6 Os E 16 14 12 1.485 109.751 52.43 -0.4770
20 O5 Oh S 14 12 10 1.444 107.942 -172.32 -0.7200
21 H5O Ho E 20 14 12 0.966 106.322 -48.08 0.4290
22 O4 Oh S 12 10 4 1.460 110.433 173.08 -0.6750
23 H4O Ho E 22 12 10 0.968 108.634 54.62 0.4350
24 O3 Os M 10 4 3 1.453 110.350 18.53 -0.4920
LOOP
O6 C2
DONE
3bC INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.219 114.902 -133.41 0.3130
5 H1 H2 E 4 3 2 1.091 63.376 -66.80 0.0000
6 O5 Os M 4 3 2 1.462 111.147 34.64 -0.4890
7 C5 Cg M 6 4 3 1.484 116.049 -131.39 0.1410
8 H5 H1 E 7 6 4 1.092 107.980 64.45 0.0000
9 C6 Cg 3 7 6 4 1.529 106.426 -179.26 0.0540
10 H61 H1 E 9 7 6 1.090 110.595 -174.86 0.0000
11 H62 H1 E 9 7 6 1.091 110.671 64.80 0.0000
12 H63 H1 E 9 7 6 1.090 110.350 -55.32 0.0000
13 C4 Cg M 7 6 4 1.553 110.731 -54.91 0.5790
14 H4 H1 E 13 7 6 1.092 108.444 -68.36 0.0000
15 N4 Ng B 13 7 6 1.482 109.943 171.30 -0.8840
16 H4N H E 15 13 7 1.005 118.374 -75.81 0.3270
17 C4N C B 15 13 7 1.334 122.717 99.60 0.7200
18 O4N O E 17 15 13 1.221 121.166 0.20 -0.6220
19 C4M Cg 3 17 15 13 1.542 116.539 -179.84 0.0380
20 H41 Hc E 19 17 15 1.091 110.231 176.59 0.0000
21 H42 Hc E 19 17 15 1.091 109.889 56.66 0.0000
22 H43 Hc E 19 17 15 1.091 109.727 -63.50 0.0000
23 C3 Cg M 13 7 6 1.557 111.334 49.92 0.1960
24 H3 H1 E 23 13 7 1.092 107.756 66.07 0.0000
25 C2 Cg B 23 13 7 1.553 111.958 -52.25 0.3540
26 H2 H1 E 25 23 13 1.092 108.181 -62.79 0.0000
27 N2 Ng B 25 23 13 1.482 111.059 177.26 -0.6460
28 H2N H E 27 25 23 1.005 117.749 -74.11 0.2870
29 C2N C B 27 25 23 1.339 123.653 106.02 0.5290
30 O2N O E 29 27 25 1.228 122.945 2.35 -0.5160
31 C2M Cg 3 29 27 25 1.543 115.754 -177.65 0.0780
32 H21 Hc E 31 29 27 1.091 110.260 171.03 0.0000
33 H22 Hc E 31 29 27 1.091 110.049 51.17 0.0000
34 H23 Hc E 31 29 27 1.091 109.662 -69.03 0.0000
35 O3 Os M 23 13 7 1.467 111.072 -176.91 -0.4590
LOOP
C2 C1
DONE
3bD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410
5 C1 Cg 3 4 3 2 1.546 22.070 -155.25 0.3130
6 H11 H1 E 5 4 3 1.091 109.856 0.87 0.0000
7 H12 H1 E 5 4 3 1.090 110.325 119.99 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -119.49 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 163.85 0.4140
10 O5 Os M 4 3 2 1.565 96.957 71.60 -0.4520
11 C5 Cg M 10 4 3 1.587 113.494 153.37 0.2710
12 H5 H1 E 11 10 4 1.091 109.010 115.27 0.0000
13 C6 Cg 3 11 10 4 1.543 109.502 -125.08 0.2810
14 H61 H1 E 13 11 10 1.090 110.249 169.67 0.0000
15 H62 H1 E 13 11 10 1.091 109.980 50.42 0.0000
16 O6 Oh S 13 11 10 1.443 110.886 -70.57 -0.6790
17 H6O Ho E 16 13 11 0.959 110.164 -69.40 0.4110
18 C4 Cg M 11 10 4 1.626 104.732 -0.82 0.2250
19 H4 H1 E 18 11 10 1.091 107.421 106.22 0.0000
20 O4 Oh S 18 11 10 1.457 113.168 -134.63 -0.7100
21 H4O Ho E 20 18 11 0.965 109.577 -164.20 0.4350
22 C3 Cg M 18 11 10 1.636 107.413 -10.45 0.4400
23 H3 H1 E 22 18 11 1.090 107.628 -98.64 0.0000
24 O3 Os M 22 18 11 1.453 110.696 144.44 -0.5220
LOOP
C3 C2
DONE
3bU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470
5 C1 Cg 3 4 3 2 1.553 43.383 -64.68 0.2990
6 H11 H1 E 5 4 3 1.091 109.538 173.60 0.0000
7 H12 H1 E 5 4 3 1.091 110.361 -67.58 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 53.50 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 172.60 0.3820
10 C3 Cg M 4 3 2 1.635 135.193 -142.32 0.3820
11 H3 H1 E 10 4 3 1.091 108.980 -85.98 0.0000
12 C4 Cg 3 10 4 3 1.637 107.249 157.15 0.2830
13 H4 H1 E 12 10 4 1.091 108.865 -102.82 0.0000
14 C5 Cg 3 12 10 4 1.624 107.577 13.45 0.2100
15 H5 H1 E 14 12 10 1.091 108.969 -127.62 0.0000
16 C6 Cg 3 14 12 10 1.541 114.994 109.54 0.3320
17 H61 H1 E 16 14 12 1.090 109.861 59.82 0.0000
18 H62 H1 E 16 14 12 1.090 110.302 -59.54 0.0000
19 O6 Oh S 16 14 12 1.442 110.695 179.56 -0.7010
20 H6O Ho E 19 16 14 0.959 110.169 -52.94 0.4090
21 O5 Os E 14 12 10 1.582 104.801 -11.31 -0.3850
22 O4 Oh S 12 10 4 1.453 111.864 137.73 -0.7550
23 H4O Ho E 22 12 10 0.964 109.402 67.17 0.4340
24 O3 Os M 10 4 3 1.455 113.678 34.22 -0.5100
LOOP
O5 C2
DONE
3cA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.586 116.969 -129.11 0.3450
5 C1 Cg 3 4 3 2 1.567 44.165 126.75 0.3860
6 H11 H1 E 5 4 3 1.091 110.132 -50.25 0.0000
7 H12 H1 E 5 4 3 1.091 109.446 67.92 0.0000
8 O1 Oh S 5 4 3 1.446 112.801 -171.35 -0.6960
9 H1O Ho E 8 5 4 0.968 106.626 -39.29 0.4020
10 O6 Os M 4 3 2 1.483 117.808 35.58 -0.6200
11 C6 Cg M 10 4 3 1.483 118.572 -140.03 0.4370
12 H6A H1 E 11 10 4 1.091 109.541 67.42 0.0000
13 H6E H1 E 11 10 4 1.090 108.752 -174.83 0.0000
14 C5 Cg M 11 10 4 1.538 109.646 -54.60 0.1950
15 H5 H1 E 14 11 10 1.091 108.701 -59.59 0.0000
16 O5 Oh S 14 11 10 1.462 111.474 -178.00 -0.7090
17 H5O Ho E 16 14 11 0.964 110.741 83.12 0.4150
18 C4 Cg M 14 11 10 1.544 109.577 58.96 0.3670
19 H4 H1 E 18 14 11 1.091 108.427 -177.56 0.0000
20 O4 Oh S 18 14 11 1.450 110.035 65.74 -0.7200
21 H4O Ho E 20 18 14 0.965 107.347 50.59 0.3940
22 C3 Cg M 18 14 11 1.551 112.343 -57.29 0.2470
23 H3 H1 E 22 18 14 1.092 108.943 168.11 0.0000
24 O3 Os M 22 18 14 1.466 107.388 -76.78 -0.4430
LOOP
C3 C2
DONE
3cB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.348 115.227 -133.37 0.2440
5 C1 Cg 3 4 3 2 1.563 56.302 -67.37 0.2970
6 H11 H1 E 5 4 3 1.088 110.800 167.68 0.0000
7 H12 H1 E 5 4 3 1.091 110.065 -73.30 0.0000
8 O1 Oh S 5 4 3 1.447 111.733 47.62 -0.6690
9 H1O Ho E 8 5 4 0.961 109.456 178.60 0.4010
10 C3 Cg M 4 3 2 1.569 136.938 -155.77 0.3170
11 H3 H1 E 10 4 3 1.091 109.321 19.65 0.0000
12 C4 Cg 3 10 4 3 1.551 113.143 142.19 0.3440
13 H4 H1 E 12 10 4 1.091 109.341 168.38 0.0000
14 C5 Cg 3 12 10 4 1.549 111.995 47.93 0.1950
15 H5 H1 E 14 12 10 1.091 108.324 67.05 0.0000
16 C6 Cg 3 14 12 10 1.539 112.024 -51.70 0.3650
17 H6A H1 E 16 14 12 1.091 110.698 -66.37 0.0000
18 H6E H1 E 16 14 12 1.090 110.083 174.22 0.0000
19 O6 Os E 16 14 12 1.482 109.460 54.46 -0.4600
20 O5 Oh S 14 12 10 1.457 110.756 -175.28 -0.6840
21 H5O Ho E 20 14 12 0.965 109.084 44.29 0.4150
22 O4 Oh S 12 10 4 1.459 109.536 -74.38 -0.6980
23 H4O Ho E 22 12 10 0.964 108.929 -91.80 0.4170
24 O3 Os M 10 4 3 1.453 110.172 -98.32 -0.4840
LOOP
O6 C2
DONE
3cD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840
5 C1 Cg 3 4 3 2 1.556 17.540 -147.50 0.3700
6 H11 H1 E 5 4 3 1.091 110.210 18.90 0.0000
7 H12 H1 E 5 4 3 1.091 109.651 137.75 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -102.08 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 -49.38 0.4140
10 O5 Os M 4 3 2 1.564 97.899 67.10 -0.4980
11 C5 Cg M 10 4 3 1.584 113.350 147.62 0.3090
12 H5 H1 E 11 10 4 1.092 109.375 118.93 0.0000
13 C6 Cg 3 11 10 4 1.538 110.489 -119.98 0.2650
14 H61 H1 E 13 11 10 1.090 109.956 165.98 0.0000
15 H62 H1 E 13 11 10 1.091 109.952 47.12 0.0000
16 O6 Oh S 13 11 10 1.442 111.246 -74.00 -0.6640
17 H6O Ho E 16 13 11 0.960 110.855 -67.48 0.4120
18 C4 Cg M 11 10 4 1.621 104.926 0.33 0.3320
19 H4 H1 E 18 11 10 1.091 111.196 -131.00 0.0000
20 O4 Oh S 18 11 10 1.453 109.530 109.63 -0.7840
21 H4O Ho E 20 18 11 0.965 110.375 -68.04 0.4440
22 C3 Cg M 18 11 10 1.638 107.987 -8.85 0.2820
23 H3 H1 E 22 18 11 1.091 111.251 134.95 0.0000
24 O3 Os M 22 18 11 1.460 108.216 -106.61 -0.4780
LOOP
C3 C2
DONE
3cU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390
5 C1 Cg 3 4 3 2 1.537 53.448 -6.93 0.2870
6 H11 H1 E 5 4 3 1.091 109.952 -154.15 0.0000
7 H12 H1 E 5 4 3 1.091 110.638 -34.86 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 86.15 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 179.97 0.4010
10 C3 Cg M 4 3 2 1.636 113.047 -107.26 0.3330
11 H3 H1 E 10 4 3 1.091 111.948 41.20 0.0000
12 C4 Cg 3 10 4 3 1.624 107.103 164.76 0.2930
13 H4 H1 E 12 10 4 1.092 112.868 136.79 0.0000
14 C5 Cg 3 12 10 4 1.622 107.882 12.29 0.3100
15 H5 H1 E 14 12 10 1.092 110.981 -127.12 0.0000
16 C6 Cg 3 14 12 10 1.529 112.711 109.36 0.2720
17 H61 H1 E 16 14 12 1.090 110.315 59.90 0.0000
18 H62 H1 E 16 14 12 1.091 110.618 -60.32 0.0000
19 O6 Oh S 16 14 12 1.433 108.667 179.51 -0.6520
20 H6O Ho E 19 16 14 0.960 109.494 -59.32 0.3970
21 O5 Os E 14 12 10 1.577 105.503 -8.77 -0.4490
22 O4 Oh S 12 10 4 1.434 107.032 -103.41 -0.7630
23 H4O Ho E 22 12 10 0.960 109.480 178.44 0.4310
24 O3 Os M 10 4 3 1.439 111.311 -80.89 -0.4750
LOOP
O5 C2
DONE
3dA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.386 115.065 -132.97 0.3980
5 H1 H2 E 4 3 2 1.090 122.721 39.39 0.0000
6 O5 Os M 4 3 2 1.470 69.754 -59.92 -0.4870
7 C5 Cg M 6 4 3 1.490 117.560 -72.03 0.2750
8 H5A H1 E 7 6 4 1.092 108.478 71.52 0.0000
9 H5E H1 E 7 6 4 1.090 108.927 -171.44 0.0000
10 C4 Cg M 7 6 4 1.543 111.684 -49.69 0.3510
11 H4 H1 E 10 7 6 1.091 109.854 -69.03 0.0000
12 O4 Oh S 10 7 6 1.447 108.472 171.92 -0.7110
13 H4O Ho E 12 10 7 0.966 106.152 -168.99 0.4220
14 C3 Cg M 10 7 6 1.545 110.247 52.70 0.1840
15 H3 H1 E 14 10 7 1.091 108.583 60.91 0.0000
16 C2 Cg B 14 10 7 1.549 111.008 -57.45 0.2460
17 H2 H1 E 16 14 10 1.091 109.256 175.96 0.0000
18 O2 Oh S 16 14 10 1.458 110.247 -65.62 -0.6780
19 H2O Ho E 18 16 14 0.962 110.757 -168.88 0.4320
20 O3 Os M 14 10 7 1.459 110.859 178.21 -0.4320
LOOP
C2 C1
DONE
3dB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.553 116.316 -128.93 0.4480
5 H1 H2 E 4 3 2 1.091 113.723 25.37 0.0000
6 C2 Cg M 4 3 2 1.543 134.009 -175.87 0.2260
7 H2 H1 E 6 4 3 1.091 110.247 141.57 0.0000
8 O2 Oh S 6 4 3 1.446 108.761 21.88 -0.6450
9 H2O Ho E 8 6 4 0.960 109.425 59.50 0.4150
10 C3 Cg M 6 4 3 1.543 109.102 -97.36 0.2010
11 H3 H1 E 10 6 4 1.092 108.078 -65.99 0.0000
12 C4 Cg 3 10 6 4 1.543 112.432 54.46 0.3350
13 H4 H1 E 12 10 6 1.091 110.326 70.31 0.0000
14 C5 Cg 3 12 10 6 1.539 111.797 -51.79 0.2750
15 H5A H1 E 14 12 10 1.092 110.541 -69.74 0.0000
16 H5E H1 E 14 12 10 1.090 110.214 170.80 0.0000
17 O5 Os E 14 12 10 1.480 110.071 50.34 -0.5190
18 O4 Oh S 12 10 6 1.436 108.765 -169.83 -0.7090
19 H4O Ho E 18 12 10 0.960 109.449 -59.99 0.4360
20 O3 Os M 10 6 4 1.440 109.342 176.73 -0.4630
LOOP
O5 C1
DONE
3dD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.268 115.026 -133.11 0.3800
5 H1 H1 E 4 3 2 1.090 114.859 26.91 0.0000
6 O4 Os M 4 3 2 1.562 69.561 -75.86 -0.4230
7 C4 Cg M 6 4 3 1.588 112.912 -129.70 0.1890
8 H4 H1 E 7 6 4 1.091 107.600 104.77 0.0000
9 C5 Cg 3 7 6 4 1.537 110.486 -136.68 0.3050
10 H51 H1 E 9 7 6 1.090 110.600 57.42 0.0000
11 H52 H1 E 9 7 6 1.090 110.349 177.71 0.0000
12 O5 Oh S 9 7 6 1.438 108.908 -62.47 -0.6970
13 H5O Ho E 12 9 7 0.962 108.141 56.44 0.4140
14 C3 Cg M 7 6 4 1.624 104.960 -9.27 0.2980
15 H3 H1 E 14 7 6 1.090 111.418 136.70 0.0000
16 C2 Cg B 14 7 6 1.641 106.916 15.19 0.2290
17 H2 H1 E 16 14 7 1.091 107.286 100.85 0.0000
18 O2 Oh S 16 14 7 1.459 112.998 -140.55 -0.6510
19 H2O Ho E 18 16 14 0.964 109.258 -171.53 0.4110
20 O3 Os M 14 7 6 1.446 109.315 -102.58 -0.4550
LOOP
C2 C1
DONE
3dU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.298 115.109 -132.95 0.4360
5 H1 H2 E 4 3 2 1.090 33.811 -66.58 0.0000
6 C2 Cg M 4 3 2 1.640 133.355 -123.59 0.2840
7 H2 H1 E 6 4 3 1.089 110.427 15.83 0.0000
8 O2 Oh S 6 4 3 1.464 111.148 -105.13 -0.6800
9 H2O Ho E 8 6 4 0.969 107.470 22.02 0.4070
10 C3 Cg M 6 4 3 1.642 106.290 136.04 0.3000
11 H3 H1 E 10 6 4 1.091 107.886 -101.19 0.0000
12 C4 Cg 3 10 6 4 1.620 107.806 14.92 0.1350
13 H4 H1 E 12 10 6 1.091 108.974 -127.93 0.0000
14 C5 Cg 3 12 10 6 1.542 114.725 109.52 0.3730
15 H51 H1 E 14 12 10 1.090 109.887 61.57 0.0000
16 H52 H1 E 14 12 10 1.091 110.456 -58.00 0.0000
17 O5 Oh S 14 12 10 1.439 110.322 -178.69 -0.7250
18 H5O Ho E 17 14 12 0.959 109.321 -36.11 0.4180
19 O4 Os E 12 10 6 1.588 104.668 -11.75 -0.5170
20 O3 Os M 10 6 4 1.446 112.188 139.89 -0.4310
LOOP
O4 C1
DONE
3eA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Oh S 9 7 6 1.434 108.916 -64.43 -0.6630
13 H6O Ho E 12 9 7 0.960 109.470 -59.69 0.4060
14 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
15 H4 H1 E 14 7 6 1.091 108.456 -65.22 0.0000
16 O4 Oh S 14 7 6 1.439 109.886 177.28 -0.7210
17 H4O Ho E 16 14 7 0.960 109.412 -63.34 0.4150
18 C3 Cg M 14 7 6 1.544 113.133 54.81 0.3280
19 H3 H1 E 18 14 7 1.091 109.843 -174.05 0.0000
20 C2 Cg B 18 14 7 1.541 111.809 -51.50 0.1790
21 H2 H1 E 20 18 14 1.092 109.967 169.74 0.0000
22 O2 Oh S 20 18 14 1.437 107.327 -73.67 -0.6900
23 H2O Ho E 22 20 18 0.960 109.486 -178.36 0.4470
24 O3 Os M 18 14 7 1.442 110.012 67.08 -0.4880
LOOP
C2 C1
DONE
3eB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 O2 Oh S 6 4 3 1.463 112.571 -104.80 -0.6970
9 H2O Ho E 8 6 4 0.966 108.305 55.11 0.4320
10 C3 Cg M 6 4 3 1.540 108.887 135.69 0.3150
11 H3 H1 E 10 6 4 1.091 109.473 176.26 0.0000
12 C4 Cg 3 10 6 4 1.554 111.264 55.47 0.3200
13 H4 H1 E 12 10 6 1.091 108.716 63.72 0.0000
14 C5 Cg 3 12 10 6 1.549 111.196 -55.77 0.2570
15 H5 H1 E 14 12 10 1.092 109.111 -65.44 0.0000
16 C6 Cg 3 14 12 10 1.541 112.018 174.42 0.2780
17 H61 H1 E 16 14 12 1.090 110.614 60.34 0.0000
18 H62 H1 E 16 14 12 1.091 110.136 -59.38 0.0000
19 O6 Oh S 16 14 12 1.439 109.977 -179.42 -0.6770
20 H6O Ho E 19 16 14 0.962 108.042 50.79 0.4080
21 O5 Os E 14 12 10 1.501 109.730 53.07 -0.5320
22 O4 Oh S 12 10 6 1.457 110.079 -178.65 -0.7240
23 H4O Ho E 22 12 10 0.964 110.039 -78.83 0.4200
24 O3 Os M 10 6 4 1.454 108.210 -66.23 -0.4720
LOOP
O5 C1
DONE
3fA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.290 114.938 -133.05 0.3990
5 H1 H2 E 4 3 2 1.090 120.789 32.75 0.0000
6 O5 Os M 4 3 2 1.472 68.244 -66.42 -0.4940
7 C5 Cg M 6 4 3 1.495 116.875 -70.92 0.1870
8 H5 H1 E 7 6 4 1.091 107.622 67.25 0.0000
9 C6 Cg 3 7 6 4 1.531 107.907 -177.50 0.0650
10 H61 Hc E 9 7 6 1.091 112.013 60.69 0.0000
11 H62 Hc E 9 7 6 1.091 111.136 -59.35 0.0000
12 H63 Hc E 9 7 6 1.090 111.280 -178.78 0.0000
13 C4 Cg M 7 6 4 1.554 111.650 -50.04 0.2630
14 H4 H1 E 13 7 6 1.091 108.736 170.14 0.0000
15 O4 Oh S 13 7 6 1.452 110.366 -71.52 -0.7390
16 H4O Ho E 15 13 7 0.966 107.152 175.93 0.4470
17 C3 Cg M 13 7 6 1.549 111.442 50.00 0.2280
18 H3 H1 E 17 13 7 1.091 108.535 63.68 0.0000
19 C2 Cg B 17 13 7 1.550 109.944 -55.77 0.4560
20 H2 H1 E 19 17 13 1.091 109.004 -59.37 0.0000
21 O2 Oh S 19 17 13 1.463 111.178 -176.89 -0.8040
22 H2O Ho E 21 19 17 0.961 108.560 80.99 0.4530
23 O3 Os M 17 13 7 1.464 109.243 -179.40 -0.4610
LOOP
C2 C1
DONE
3fB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.094 122.532 -140.40 0.4180
5 H1 H2 E 4 3 2 1.091 73.877 -8.00 0.0000
6 C2 Cg M 4 3 2 1.545 109.309 -114.38 0.3460
7 H2 H1 E 6 4 3 1.092 110.063 -86.50 0.0000
8 O2 Oh S 6 4 3 1.439 107.580 32.59 -0.7650
9 H2O Ho E 8 6 4 0.960 109.418 -59.18 0.4400
10 C3 Cg M 6 4 3 1.542 111.933 150.88 0.2550
11 H3 H1 E 10 6 4 1.092 108.986 -69.25 0.0000
12 C4 Cg 3 10 6 4 1.542 112.898 50.54 0.2290
13 H4 H1 E 12 10 6 1.091 109.948 -175.33 0.0000
14 C5 Cg 3 12 10 6 1.543 109.625 -54.44 0.1060
15 H5 H1 E 14 12 10 1.092 108.258 -61.07 0.0000
16 C6 Cg 3 14 12 10 1.531 115.663 178.40 0.0920
17 H61 Hc E 16 14 12 1.091 111.160 177.14 0.0000
18 H62 Hc E 16 14 12 1.091 112.070 -62.71 0.0000
19 H63 Hc E 16 14 12 1.091 111.199 57.72 0.0000
20 O5 Os E 14 12 10 1.481 108.818 56.43 -0.4420
21 O4 Oh S 12 10 6 1.445 109.758 64.85 -0.6590
22 H4O Ho E 21 12 10 0.960 109.451 -179.30 0.4230
23 O3 Os M 10 6 4 1.440 109.807 172.76 -0.4430
LOOP
O5 C1
DONE
3gA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Oh S 9 7 6 1.444 110.823 -72.03 -0.6820
13 H6O Ho E 12 9 7 0.960 109.735 -78.35 0.4180
14 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
15 H4 H1 E 14 7 6 1.092 109.342 -68.48 0.0000
16 O4 Oh S 14 7 6 1.451 108.995 172.71 -0.7100
17 H4O Ho E 16 14 7 0.968 107.227 -172.23 0.4360
18 C3 Cg M 14 7 6 1.547 111.254 52.54 0.2860
19 H3 H1 E 18 14 7 1.092 109.616 66.99 0.0000
20 C2 Cg B 18 14 7 1.543 112.114 -54.50 0.2460
21 H2 H1 E 20 18 14 1.091 108.373 -65.99 0.0000
22 O2 Oh S 20 18 14 1.465 110.086 176.46 -0.7130
23 H2O Ho E 22 20 18 0.967 109.170 -83.89 0.4370
24 O3 Os M 18 14 7 1.452 108.604 -174.42 -0.4660
LOOP
C2 C1
DONE
3gB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 O2 Oh S 6 4 3 1.458 110.080 20.25 -0.7180
9 H2O Ho E 8 6 4 0.966 108.053 -54.43 0.4370
10 C3 Cg M 6 4 3 1.545 110.380 140.59 0.2840
11 H3 H1 E 10 6 4 1.092 109.008 -69.00 0.0000
12 C4 Cg 3 10 6 4 1.548 112.113 51.91 0.2760
13 H4 H1 E 12 10 6 1.092 109.378 67.39 0.0000
14 C5 Cg 3 12 10 6 1.543 111.306 -53.55 0.2250
15 H5 H1 E 14 12 10 1.092 109.126 -64.00 0.0000
16 C6 Cg 3 14 12 10 1.541 112.515 175.39 0.2820
17 H61 H1 E 16 14 12 1.090 110.609 61.43 0.0000
18 H62 H1 E 16 14 12 1.091 110.212 -58.37 0.0000
19 O6 Oh S 16 14 12 1.440 109.810 -178.39 -0.6880
20 H6O Ho E 19 16 14 0.962 108.265 53.10 0.4240
21 O5 Os E 14 12 10 1.495 108.909 54.04 -0.4710
22 O4 Oh S 12 10 6 1.448 109.104 -173.75 -0.7140
23 H4O Ho E 22 12 10 0.967 107.435 -50.50 0.4400
24 O3 Os M 10 6 4 1.454 109.219 172.60 -0.4710
LOOP
O5 C1
DONE
3hA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.373 114.818 -133.12 0.3940
5 H1 H2 E 4 3 2 1.090 123.975 26.37 0.0000
6 O5 Os M 4 3 2 1.473 66.142 -70.59 -0.4610
7 C5 Cg M 6 4 3 1.486 117.952 -69.56 0.2790
8 H5 H1 E 7 6 4 1.092 108.099 67.53 0.0000
9 C6 Cg 3 7 6 4 1.530 106.736 -176.09 0.0230
10 H61 Hc E 9 7 6 1.091 111.668 63.20 0.0000
11 H62 Hc E 9 7 6 1.091 111.314 -56.98 0.0000
12 H63 Hc E 9 7 6 1.090 111.509 -176.49 0.0000
13 C4 Cg M 7 6 4 1.549 110.695 -51.67 0.1870
14 H4 H1 E 13 7 6 1.091 109.781 -68.51 0.0000
15 O4 Oh S 13 7 6 1.456 109.491 172.11 -0.6440
16 H4O Ho E 15 13 7 0.963 110.183 73.83 0.4050
17 C3 Cg M 13 7 6 1.545 110.317 52.49 0.2360
18 H3 H1 E 17 13 7 1.092 108.830 64.14 0.0000
19 C2 Cg B 17 13 7 1.545 112.380 -55.89 0.2480
20 H2 H1 E 19 17 13 1.091 109.364 174.25 0.0000
21 O2 Oh S 19 17 13 1.456 109.714 -67.50 -0.6700
22 H2O Ho E 21 19 17 0.965 106.818 -49.47 0.4210
23 O3 Os M 17 13 7 1.452 109.689 -178.23 -0.4180
LOOP
C2 C1
DONE
3hB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 42.030 124.543 -153.41 0.3810
5 H1 H2 E 4 3 2 1.091 139.785 159.66 0.0000
6 C2 Cg M 4 3 2 1.542 96.846 27.94 0.2430
7 H2 H1 E 6 4 3 1.091 110.263 89.84 0.0000
8 O2 Oh S 6 4 3 1.446 108.900 -29.97 -0.6730
9 H2O Ho E 8 6 4 0.960 109.408 -178.72 0.4320
10 C3 Cg M 6 4 3 1.542 108.951 -149.17 0.1820
11 H3 H1 E 10 6 4 1.092 107.999 -65.80 0.0000
12 C4 Cg 3 10 6 4 1.543 112.684 54.72 0.3880
13 H4 H1 E 12 10 6 1.092 109.930 71.13 0.0000
14 C5 Cg 3 12 10 6 1.547 112.131 -51.25 0.1720
15 H5 H1 E 14 12 10 1.092 109.230 -69.17 0.0000
16 C6M Cg 3 14 12 10 1.530 114.214 169.13 0.0390
17 H3M Hc E 16 14 12 1.091 111.441 61.33 0.0000
18 H2M Hc E 16 14 12 1.091 111.709 -58.98 0.0000
19 H1M Hc E 16 14 12 1.091 111.297 -179.18 0.0000
20 O5 Os E 14 12 10 1.483 109.717 48.94 -0.4270
21 O4 Oh S 12 10 6 1.438 108.082 -169.72 -0.7280
22 H4O Ho E 21 12 10 0.960 109.440 -179.68 0.4320
23 O3 Os M 10 6 4 1.440 109.222 177.05 -0.4410
LOOP
O5 C1
DONE
3jA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.606 116.955 -129.13 0.1140
5 C1 Cg 3 4 3 2 1.562 37.871 133.82 0.4100
6 H11 H1 E 5 4 3 1.091 110.432 -44.43 0.0000
7 H12 H1 E 5 4 3 1.091 109.780 74.50 0.0000
8 O1 Oh S 5 4 3 1.437 111.258 -165.16 -0.6560
9 H1O Ho E 8 5 4 0.970 105.489 -31.79 0.4050
10 O6 Os M 4 3 2 1.482 115.122 42.33 -0.5040
11 C6 Cg M 10 4 3 1.489 118.583 -143.57 0.3680
12 H6A H1 E 11 10 4 1.091 108.585 71.14 0.0000
13 H6E H1 E 11 10 4 1.090 108.936 -171.67 0.0000
14 C5 Cg M 11 10 4 1.541 111.422 -50.10 0.2730
15 H5 H1 E 14 11 10 1.091 109.320 -69.49 0.0000
16 O5 Oh S 14 11 10 1.453 108.662 172.04 -0.6990
17 H5O Ho E 16 14 11 0.965 108.090 -177.58 0.4190
18 C4 Cg M 14 11 10 1.547 110.532 51.66 0.2810
19 H4 H1 E 18 14 11 1.091 108.842 63.65 0.0000
20 O4 Oh S 18 14 11 1.460 110.450 -178.37 -0.6720
21 H4O Ho E 20 18 14 0.964 109.388 -155.63 0.4130
22 C3 Cg M 18 14 11 1.550 111.417 -56.44 0.2710
23 H3 H1 E 22 18 14 1.091 109.045 176.24 0.0000
24 O3 Os M 22 18 14 1.458 108.952 -66.09 -0.4230
LOOP
C3 C2
DONE
3jB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.167 115.000 -133.41 0.4130
5 C1 Cg 3 4 3 2 1.565 63.386 -70.64 0.2800
6 H11 H1 E 5 4 3 1.089 110.419 -177.38 0.0000
7 H12 H1 E 5 4 3 1.091 109.821 -59.25 0.0000
8 O1 Oh S 5 4 3 1.444 112.820 62.20 -0.7220
9 H1O Ho E 8 5 4 0.965 107.671 -41.74 0.4320
10 C3 Cg M 4 3 2 1.569 133.651 -166.33 0.3630
11 H3 H1 E 10 4 3 1.091 109.772 23.93 0.0000
12 C4 Cg 3 10 4 3 1.551 110.614 144.95 0.1550
13 H4 H1 E 12 10 4 1.090 108.392 -65.40 0.0000
14 C5 Cg 3 12 10 4 1.550 111.966 54.12 0.3740
15 H5 H1 E 14 12 10 1.091 109.534 68.96 0.0000
16 C6 Cg 3 14 12 10 1.547 111.895 -52.01 0.2920
17 H6A H1 E 16 14 12 1.091 110.065 -70.83 0.0000
18 H6E H1 E 16 14 12 1.090 109.985 170.44 0.0000
19 O6 Os E 16 14 12 1.484 111.063 49.63 -0.5510
20 O5 Oh S 14 12 10 1.455 108.361 -172.59 -0.7290
21 H5O Ho E 20 14 12 0.962 111.074 69.64 0.4260
22 O4 Oh S 12 10 4 1.459 109.947 177.92 -0.6840
23 H4O Ho E 22 12 10 0.968 109.165 -169.60 0.4380
24 O3 Os M 10 4 3 1.461 111.127 -95.90 -0.4870
LOOP
O6 C2
DONE
3jD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920
5 C1 Cg 3 4 3 2 1.554 16.572 -148.09 0.3890
6 H11 H1 E 5 4 3 1.091 110.219 17.52 0.0000
7 H12 H1 E 5 4 3 1.091 109.769 136.51 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -103.20 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 -50.29 0.3800
10 O5 Os M 4 3 2 1.567 99.436 71.06 -0.4100
11 C5 Cg M 10 4 3 1.585 113.292 149.88 0.1900
12 H5 H1 E 11 10 4 1.091 109.254 118.42 0.0000
13 C6 Cg 3 11 10 4 1.542 109.417 -121.68 0.3400
14 H61 H1 E 13 11 10 1.090 110.186 170.13 0.0000
15 H62 H1 E 13 11 10 1.090 110.250 50.63 0.0000
16 O6 Oh S 13 11 10 1.441 110.517 -70.42 -0.7250
17 H6O Ho E 16 13 11 0.959 110.296 -58.30 0.4250
18 C4 Cg M 11 10 4 1.625 104.597 1.92 0.2330
19 H4 H1 E 18 11 10 1.090 107.076 101.60 0.0000
20 O4 Oh S 18 11 10 1.458 113.707 -139.62 -0.6710
21 H4O Ho E 20 18 11 0.965 110.086 -134.30 0.4140
22 C3 Cg M 18 11 10 1.642 107.375 -13.44 0.3930
23 H3 H1 E 22 18 11 1.091 111.073 142.12 0.0000
24 O3 Os M 22 18 11 1.455 107.927 -98.38 -0.4960
LOOP
C3 C2
DONE
3jU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510
5 C1 Cg 3 4 3 2 1.554 41.375 -67.07 0.3330
6 H11 H1 E 5 4 3 1.090 109.574 170.02 0.0000
7 H12 H1 E 5 4 3 1.090 110.121 -71.39 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 49.66 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 173.81 0.4150
10 C3 Cg M 4 3 2 1.643 134.152 -137.11 0.2230
11 H3 H1 E 10 4 3 1.090 111.499 28.62 0.0000
12 C4 Cg 3 10 4 3 1.639 106.529 149.37 0.2840
13 H4 H1 E 12 10 4 1.091 107.844 -100.60 0.0000
14 C5 Cg 3 12 10 4 1.619 107.844 15.28 0.1000
15 H5 H1 E 14 12 10 1.089 109.205 -129.69 0.0000
16 C6 Cg 3 14 12 10 1.537 115.282 106.51 0.3490
17 H61 H1 E 16 14 12 1.090 111.054 58.46 0.0000
18 H62 H1 E 16 14 12 1.089 110.316 -62.25 0.0000
19 O6 Oh S 16 14 12 1.435 108.026 178.22 -0.6840
20 H6O Ho E 19 16 14 0.962 107.568 44.32 0.4110
21 O5 Os E 14 12 10 1.585 104.895 -12.75 -0.3890
22 O4 Oh S 12 10 4 1.442 112.118 140.35 -0.6570
23 H4O Ho E 22 12 10 0.969 105.977 -9.00 0.4100
24 O3 Os M 10 4 3 1.460 110.322 -92.24 -0.4490
LOOP
O5 C2
DONE
3kA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Oh S 9 7 6 1.434 108.908 -64.18 -0.6910
13 H6O Ho E 12 9 7 0.960 109.471 -59.53 0.4220
14 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
15 H4 H1 E 14 7 6 1.091 109.347 173.46 0.0000
16 O4 Oh S 14 7 6 1.440 109.315 -68.60 -0.7120
17 H4O Ho E 16 14 7 0.960 109.466 -58.47 0.4200
18 C3 Cg M 14 7 6 1.541 113.058 50.90 0.3540
19 H3 H1 E 18 14 7 1.091 110.148 -170.51 0.0000
20 C2 Cg B 18 14 7 1.544 111.196 -48.50 0.2810
21 H2 H1 E 20 18 14 1.091 106.696 -68.80 0.0000
22 O2 Oh S 20 18 14 1.439 110.836 175.80 -0.7160
23 H2O Ho E 22 20 18 0.960 109.409 -65.65 0.4270
24 O3 Os M 18 14 7 1.440 107.217 72.05 -0.5020
LOOP
C2 C1
DONE
3kB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 O2 Oh S 6 4 3 1.462 111.766 18.28 -0.7100
9 H2O Ho E 8 6 4 0.965 108.091 -56.20 0.4260
10 C3 Cg M 6 4 3 1.547 110.415 140.23 0.2530
11 H3 H1 E 10 6 4 1.091 109.195 174.71 0.0000
12 C4 Cg 3 10 6 4 1.545 111.988 53.40 0.2170
13 H4 H1 E 12 10 6 1.091 109.393 -172.98 0.0000
14 C5 Cg 3 12 10 6 1.553 111.117 -52.75 0.3030
15 H5 H1 E 14 12 10 1.092 107.789 -66.12 0.0000
16 C6 Cg 3 14 12 10 1.542 113.025 175.07 0.2590
17 H61 H1 E 16 14 12 1.090 110.096 53.77 0.0000
18 H62 H1 E 16 14 12 1.090 110.533 -65.83 0.0000
19 O6 Oh S 16 14 12 1.441 110.162 173.71 -0.6700
20 H6O Ho E 19 16 14 0.962 108.273 57.74 0.4160
21 O5 Os E 14 12 10 1.499 110.891 51.77 -0.5140
22 O4 Oh S 12 10 6 1.455 108.780 69.68 -0.7000
23 H4O Ho E 22 12 10 0.964 110.377 74.31 0.4250
24 O3 Os M 10 6 4 1.452 110.271 -66.88 -0.4620
LOOP
O5 C1
DONE
3lA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Oh S 9 7 6 1.434 108.858 -64.45 -0.6840
13 H6O Ho E 12 9 7 0.960 109.466 -59.52 0.4180
14 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
15 H4 H1 E 14 7 6 1.091 109.671 175.54 0.0000
16 O4 Oh S 14 7 6 1.445 108.372 -65.83 -0.6730
17 H4O Ho E 16 14 7 0.960 109.470 -59.12 0.4360
18 C3 Cg M 14 7 6 1.544 110.422 54.45 0.2530
19 H3 H1 E 18 14 7 1.091 108.559 66.00 0.0000
20 C2 Cg B 18 14 7 1.541 111.714 -54.48 0.3390
21 H2 H1 E 20 18 14 1.091 108.995 -66.63 0.0000
22 O2 Oh S 20 18 14 1.440 110.049 175.31 -0.7240
23 H2O Ho E 22 20 18 0.960 109.415 -62.60 0.4310
24 O3 Os M 18 14 7 1.440 109.147 -176.39 -0.4620
LOOP
C2 C1
DONE
3lB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 O2 Oh S 6 4 3 1.459 109.860 20.73 -0.7260
9 H2O Ho E 8 6 4 0.965 107.724 -55.10 0.4320
10 C3 Cg M 6 4 3 1.547 110.130 140.44 0.2590
11 H3 H1 E 10 6 4 1.092 108.676 -66.21 0.0000
12 C4 Cg 3 10 6 4 1.546 112.254 53.31 0.2030
13 H4 H1 E 12 10 6 1.091 109.260 -175.38 0.0000
14 C5 Cg 3 12 10 6 1.545 110.517 -55.04 0.1400
15 H5 H1 E 14 12 10 1.092 107.648 -63.90 0.0000
16 C6 Cg 3 14 12 10 1.539 113.155 176.88 0.3190
17 H61 H1 E 16 14 12 1.090 110.337 53.86 0.0000
18 H62 H1 E 16 14 12 1.091 110.848 -66.38 0.0000
19 O6 Oh S 16 14 12 1.437 109.027 173.44 -0.6930
20 H6O Ho E 19 16 14 0.961 107.830 58.33 0.4190
21 O5 Os E 14 12 10 1.495 110.103 53.62 -0.4020
22 O4 Oh S 12 10 6 1.449 109.638 65.91 -0.6640
23 H4O Ho E 22 12 10 0.967 107.158 51.40 0.4370
24 O3 Os M 10 6 4 1.455 110.815 175.60 -0.4550
LOOP
O5 C1
DONE
3mA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Oh S 9 7 6 1.444 110.952 -70.49 -0.6880
13 H6O Ho E 12 9 7 0.960 109.923 -72.72 0.4220
14 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
15 H4 H1 E 14 7 6 1.091 109.924 -69.18 0.0000
16 O4 Oh S 14 7 6 1.452 108.824 171.70 -0.7330
17 H4O Ho E 16 14 7 0.966 107.267 -173.46 0.4380
18 C3 Cg M 14 7 6 1.549 110.605 52.31 0.2520
19 H3 H1 E 18 14 7 1.092 108.663 62.49 0.0000
20 C2 Cg B 18 14 7 1.545 111.609 -57.15 0.2450
21 H2 H1 E 20 18 14 1.091 109.207 175.17 0.0000
22 O2 Oh S 20 18 14 1.459 109.731 -66.73 -0.7170
23 H2O Ho E 22 20 18 0.965 108.621 -45.43 0.4460
24 O3 Os M 18 14 7 1.461 110.813 -179.59 -0.4590
LOOP
C2 C1
DONE
3mB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 O2 Oh S 6 4 3 1.459 109.767 -99.50 -0.6640
9 H2O Ho E 8 6 4 0.964 107.524 55.50 0.4310
10 C3 Cg M 6 4 3 1.547 107.300 140.06 0.2630
11 H3 H1 E 10 6 4 1.092 107.890 -58.13 0.0000
12 C4 Cg 3 10 6 4 1.553 110.623 60.52 0.3490
13 H4 H1 E 12 10 6 1.091 109.997 63.90 0.0000
14 C5 Cg 3 12 10 6 1.550 110.419 -57.43 0.2060
15 H5 H1 E 14 12 10 1.092 108.705 -67.76 0.0000
16 C6 Cg 3 14 12 10 1.539 111.873 172.30 0.2730
17 H61 H1 E 16 14 12 1.090 110.558 59.60 0.0000
18 H62 H1 E 16 14 12 1.091 110.262 -60.18 0.0000
19 O6 Oh S 16 14 12 1.439 109.850 179.68 -0.6800
20 H6O Ho E 19 16 14 0.962 108.414 55.86 0.4190
21 O5 Os E 14 12 10 1.498 110.843 50.51 -0.3930
22 O4 Oh S 12 10 6 1.452 109.624 -176.73 -0.7460
23 H4O Ho E 22 12 10 0.963 108.380 -79.71 0.4430
24 O3 Os M 10 6 4 1.457 110.746 -174.70 -0.4560
LOOP
O5 C1
DONE
3nA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Oh S 9 7 6 1.434 109.011 -63.74 -0.6630
13 H6O Ho E 12 9 7 0.960 109.493 -59.88 0.3960
14 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
15 H4 H1 E 14 7 6 1.091 108.424 -67.01 0.0000
16 O4 Oh S 14 7 6 1.439 109.651 175.64 -0.7330
17 H4O Ho E 16 14 7 0.960 109.442 -61.75 0.4440
18 C3 Cg M 14 7 6 1.543 113.659 53.11 0.3300
19 H3 H1 E 18 14 7 1.091 110.022 -173.93 0.0000
20 C2 Cg B 18 14 7 1.541 108.602 -53.52 0.2280
21 H2 H1 E 20 18 14 1.091 106.837 -65.32 0.0000
22 O2 Oh S 20 18 14 1.439 110.703 179.06 -0.6680
23 H2O Ho E 22 20 18 0.960 109.386 -64.03 0.4150
24 O3 Os M 18 14 7 1.445 109.798 66.31 -0.4670
LOOP
C2 C1
DONE
3nB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 O2 Oh S 6 4 3 1.458 111.714 19.64 -0.7030
9 H2O Ho E 8 6 4 0.966 108.382 -58.42 0.4240
10 C3 Cg M 6 4 3 1.544 110.844 141.66 0.2340
11 H3 H1 E 10 6 4 1.092 109.398 175.17 0.0000
12 C4 Cg 3 10 6 4 1.546 109.920 54.68 0.2860
13 H4 H1 E 12 10 6 1.091 108.699 62.12 0.0000
14 C5 Cg 3 12 10 6 1.547 111.303 -57.50 0.1980
15 H5 H1 E 14 12 10 1.091 109.233 -61.92 0.0000
16 C6 Cg 3 14 12 10 1.541 112.741 177.70 0.3130
17 H61 H1 E 16 14 12 1.090 110.689 61.33 0.0000
18 H62 H1 E 16 14 12 1.090 110.338 -58.85 0.0000
19 O6 Oh S 16 14 12 1.438 109.178 -178.76 -0.6890
20 H6O Ho E 19 16 14 0.962 107.694 47.58 0.4180
21 O5 Os E 14 12 10 1.500 108.536 56.16 -0.5070
22 O4 Oh S 12 10 6 1.447 109.608 179.74 -0.7070
23 H4O Ho E 22 12 10 0.966 108.053 38.89 0.4300
24 O3 Os M 10 6 4 1.458 109.599 -65.98 -0.4200
LOOP
O5 C1
DONE
3oA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.463 117.245 -129.47 0.3050
5 H1 H2 E 4 3 2 1.090 34.578 150.44 0.0000
6 O5 Os M 4 3 2 1.471 105.819 50.53 -0.4240
7 C5 Cg M 6 4 3 1.515 118.146 -155.23 0.0540
8 H5 H1 E 7 6 4 1.092 107.817 65.63 0.0000
9 C6 C B 7 6 4 1.566 116.761 -173.10 0.8960
10 O6B O2 E 9 7 6 1.255 117.285 49.97 -0.8220
11 O6A O2 E 9 7 6 1.252 116.529 -135.07 -0.8220
12 C4 Cg M 7 6 4 1.540 109.060 -52.35 0.2670
13 H4 H1 E 12 7 6 1.091 109.560 176.88 0.0000
14 O4 Oh S 12 7 6 1.455 107.562 -64.91 -0.7040
15 H4O Ho E 14 12 7 0.981 106.629 -34.53 0.4290
16 C3 Cg M 12 7 6 1.551 109.735 56.67 0.2510
17 H3 H1 E 16 12 7 1.092 108.010 56.95 0.0000
18 C2 Cg B 16 12 7 1.548 110.284 -61.11 0.4130
19 H2 H1 E 18 16 12 1.091 109.347 -64.48 0.0000
20 O2 Oh S 18 16 12 1.464 110.220 176.88 -0.7710
21 H2O Ho E 20 18 16 0.966 105.614 -87.16 0.4310
22 O3 Os M 16 12 7 1.460 111.816 174.01 -0.5030
LOOP
C2 C1
DONE
3oB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.219 115.043 -133.41 0.3010
5 H1 H2 E 4 3 2 1.091 63.366 -68.89 0.0000
6 C2 Cg M 4 3 2 1.559 138.871 -159.91 0.3830
7 H2 H1 E 6 4 3 1.091 109.614 -94.43 0.0000
8 O2 Oh S 6 4 3 1.460 107.566 23.78 -0.7320
9 H2O Ho E 8 6 4 0.962 106.473 -54.35 0.4010
10 C3 Cg M 6 4 3 1.553 110.962 144.51 0.2590
11 H3 H1 E 10 6 4 1.092 108.228 -67.30 0.0000
12 C4 Cg 3 10 6 4 1.548 111.733 51.56 0.2600
13 H4 H1 E 12 10 6 1.091 108.447 -176.52 0.0000
14 C5 Cg 3 12 10 6 1.538 110.856 -55.81 0.0490
15 H5 H1 E 14 12 10 1.092 107.135 -59.52 0.0000
16 C6 C B 14 12 10 1.574 110.283 -172.73 0.8380
17 O6A O2 E 16 14 12 1.254 118.706 -136.36 -0.7940
18 O6B O2 E 16 14 12 1.256 116.247 49.13 -0.7940
19 O5 Os E 14 12 10 1.506 109.239 55.41 -0.4140
20 O4 Oh S 12 10 6 1.450 109.430 65.27 -0.6610
21 H4O Ho E 20 12 10 0.961 107.547 51.96 0.4020
22 O3 Os M 10 6 4 1.466 112.472 174.09 -0.4980
LOOP
O5 C1
DONE
3pA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 38.107 125.493 -138.65 0.4170
5 C1 Cg 3 4 3 2 1.541 32.225 137.95 0.3270
6 H11 H1 E 5 4 3 1.091 110.426 -89.86 0.0000
7 H12 H1 E 5 4 3 1.091 110.581 29.73 0.0000
8 O1 Oh S 5 4 3 1.436 110.176 150.08 -0.6440
9 H1O Ho E 8 5 4 0.960 109.427 -60.11 0.3930
10 O6 Os M 4 3 2 1.488 134.068 95.67 -0.5980
11 C6 Cg M 10 4 3 1.482 118.332 -161.65 0.3930
12 H6A H1 E 11 10 4 1.091 109.250 66.45 0.0000
13 H6E H1 E 11 10 4 1.090 109.091 -175.40 0.0000
14 C5 Cg M 11 10 4 1.536 109.077 -54.75 0.1530
15 H5 H1 E 14 11 10 1.091 108.321 -65.28 0.0000
16 O5 Oh S 14 11 10 1.437 108.893 177.77 -0.6930
17 H5O Ho E 16 14 11 0.960 109.495 178.45 0.4280
18 C4 Cg M 14 11 10 1.541 113.177 55.00 0.3940
19 H4 H1 E 18 14 11 1.091 110.012 -174.96 0.0000
20 O4 Oh S 18 14 11 1.445 109.714 65.32 -0.7020
21 H4O Ho E 20 18 14 0.960 109.435 -179.19 0.4320
22 C3 Cg M 18 14 11 1.543 108.511 -54.52 0.1500
23 H3 H1 E 22 18 14 1.091 106.088 -66.29 0.0000
24 O3 Os M 22 18 14 1.441 110.125 178.95 -0.4500
LOOP
C3 C2
DONE
3pB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.269 115.092 -133.40 0.4070
5 C1 Cg 3 4 3 2 1.572 55.875 -67.58 0.3790
6 H11 H1 E 5 4 3 1.088 110.382 170.92 0.0000
7 H12 H1 E 5 4 3 1.091 110.003 -70.52 0.0000
8 O1 Oh S 5 4 3 1.452 112.720 50.63 -0.7200
9 H1O Ho E 8 5 4 0.961 109.403 178.93 0.4100
10 C3 Cg M 4 3 2 1.562 136.654 -159.34 0.1800
11 H3 H1 E 10 4 3 1.092 107.885 -98.54 0.0000
12 C4 Cg 3 10 4 3 1.548 113.222 144.34 0.3280
13 H4 H1 E 12 10 4 1.091 109.035 170.62 0.0000
14 C5 Cg 3 12 10 4 1.546 111.648 50.00 0.1880
15 H5 H1 E 14 12 10 1.091 108.531 65.60 0.0000
16 C6 Cg 3 14 12 10 1.540 111.137 -53.12 0.3640
17 H6A H1 E 16 14 12 1.091 110.957 -65.43 0.0000
18 H6E H1 E 16 14 12 1.090 110.095 174.89 0.0000
19 O6 Os E 16 14 12 1.483 108.996 55.37 -0.5400
20 O5 Oh S 14 12 10 1.454 110.567 -176.42 -0.7050
21 H5O Ho E 20 14 12 0.967 108.400 37.89 0.4330
22 O4 Oh S 12 10 4 1.453 109.303 -71.38 -0.6980
23 H4O Ho E 22 12 10 0.967 106.113 -55.83 0.4270
24 O3 Os M 10 4 3 1.462 112.137 18.93 -0.4530
LOOP
O6 C2
DONE
3pD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240
5 C1 Cg 3 4 3 2 1.533 11.296 11.27 0.2860
6 H11 H1 E 5 4 3 1.091 110.553 139.19 0.0000
7 H12 H1 E 5 4 3 1.091 110.436 -100.78 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 19.30 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 -179.30 0.4190
10 O5 Os M 4 3 2 1.578 107.245 118.43 -0.4530
11 C5 Cg M 10 4 3 1.580 112.574 125.89 0.1940
12 H5 H1 E 11 10 4 1.092 109.225 119.03 0.0000
13 C6 Cg 3 11 10 4 1.529 108.517 -121.64 0.2910
14 H61 H1 E 13 11 10 1.090 110.281 176.00 0.0000
15 H62 H1 E 13 11 10 1.091 110.695 55.73 0.0000
16 O6 Oh S 13 11 10 1.433 108.604 -64.48 -0.6950
17 H6O Ho E 16 13 11 0.960 109.454 -59.02 0.4110
18 C4 Cg M 11 10 4 1.626 105.532 -0.49 0.2820
19 H4 H1 E 18 11 10 1.091 112.773 -134.13 0.0000
20 O4 Oh S 18 11 10 1.437 105.885 105.93 -0.6830
21 H4O Ho E 20 18 11 0.960 109.464 -177.78 0.4210
22 C3 Cg M 18 11 10 1.629 106.867 -10.85 0.3340
23 H3 H1 E 22 18 11 1.090 106.567 -97.07 0.0000
24 O3 Os M 22 18 11 1.441 113.670 145.25 -0.4400
LOOP
C3 C2
DONE
3pU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880
5 C1 Cg 3 4 3 2 1.541 49.994 0.67 0.3650
6 H11 H1 E 5 4 3 1.090 109.918 -145.53 0.0000
7 H12 H1 E 5 4 3 1.091 110.660 -26.12 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 94.77 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 -179.45 0.4180
10 C3 Cg M 4 3 2 1.631 108.524 -109.61 0.3340
11 H3 H1 E 10 4 3 1.091 109.543 -74.21 0.0000
12 C4 Cg 3 10 4 3 1.631 107.756 169.64 0.1920
13 H4 H1 E 12 10 4 1.091 111.099 133.10 0.0000
14 C5 Cg 3 12 10 4 1.623 107.338 10.25 0.3690
15 H5 H1 E 14 12 10 1.092 111.285 -129.81 0.0000
16 C6 Cg 3 14 12 10 1.529 112.798 106.76 0.2150
17 H61 H1 E 16 14 12 1.090 110.301 60.35 0.0000
18 H62 H1 E 16 14 12 1.091 110.659 -59.91 0.0000
19 O6 Oh S 16 14 12 1.433 108.649 179.93 -0.6780
20 H6O Ho E 19 16 14 0.960 109.500 -58.51 0.4210
21 O5 Os E 14 12 10 1.576 105.494 -11.41 -0.4800
22 O4 Oh S 12 10 4 1.438 110.850 -105.23 -0.7110
23 H4O Ho E 22 12 10 0.960 109.445 -179.82 0.4380
24 O3 Os M 10 4 3 1.441 112.255 44.83 -0.4840
LOOP
O5 C2
DONE
3qA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.363 114.978 -133.03 0.4650
5 H1 H1 E 4 3 2 1.090 121.763 32.99 0.0000
6 O5 Os M 4 3 2 1.467 70.798 -67.46 -0.5590
7 C5 Cg M 6 4 3 1.487 117.291 -66.87 0.2340
8 H5 H1 E 7 6 4 1.092 108.269 65.21 0.0000
9 C6 Cg 3 7 6 4 1.531 106.976 -178.31 0.0600
10 H61 Hc E 9 7 6 1.091 111.279 -57.12 0.0000
11 H62 Hc E 9 7 6 1.091 111.508 -176.59 0.0000
12 H63 Hc E 9 7 6 1.091 111.703 63.05 0.0000
13 C4 Cg M 7 6 4 1.546 110.112 -53.83 0.2080
14 H4 H1 E 13 7 6 1.092 109.076 -69.57 0.0000
15 O4 Oh S 13 7 6 1.456 108.902 171.97 -0.6640
16 H4O Ho E 15 13 7 0.963 110.329 76.40 0.4030
17 C3 Cg M 13 7 6 1.550 111.848 51.22 0.3120
18 H3 H1 E 17 13 7 1.092 109.484 68.56 0.0000
19 C2 Cg B 17 13 7 1.550 112.115 -52.85 0.2810
20 H2 H1 E 19 17 13 1.091 108.369 -65.92 0.0000
21 O2 Oh S 19 17 13 1.464 112.236 175.32 -0.6950
22 H2O Ho E 21 19 17 0.963 109.360 -65.35 0.4220
23 O3 Os M 17 13 7 1.451 107.191 -173.73 -0.4670
LOOP
C2 C1
DONE
3qB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.342 114.850 -133.09 0.3910
5 H1 H1 E 4 3 2 1.091 66.637 -64.20 0.0000
6 C2 Cg M 4 3 2 1.554 136.503 -160.98 0.3230
7 H2 H1 E 6 4 3 1.092 109.276 -93.94 0.0000
8 O2 Oh S 6 4 3 1.460 110.327 25.57 -0.7130
9 H2O Ho E 8 6 4 0.966 107.987 -53.85 0.4200
10 C3 Cg M 6 4 3 1.546 109.870 145.94 0.3000
11 H3 H1 E 10 6 4 1.092 108.841 -69.08 0.0000
12 C4 Cg 3 10 6 4 1.549 112.577 51.86 0.2500
13 H4 H1 E 12 10 6 1.092 109.316 68.82 0.0000
14 C5 Cg 3 12 10 6 1.548 111.410 -52.00 0.2710
15 H5 H1 E 14 12 10 1.092 109.263 -66.11 0.0000
16 C6 Cg 3 14 12 10 1.530 114.065 172.27 0.0480
17 H61 Hc E 16 14 12 1.091 111.262 -178.50 0.0000
18 H62 Hc E 16 14 12 1.091 111.509 62.03 0.0000
19 H63 Hc E 16 14 12 1.091 111.710 -58.34 0.0000
20 O5 Os E 14 12 10 1.486 109.336 52.29 -0.5350
21 O4 Oh S 12 10 6 1.451 109.144 -172.28 -0.7130
22 H4O Ho E 21 12 10 0.966 107.748 -53.29 0.4210
23 O3 Os M 10 6 4 1.454 109.133 172.74 -0.4630
LOOP
O5 C1
DONE
3rA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.108 125.437 -138.65 0.4880
5 H1 H2 E 4 3 2 1.090 34.452 139.99 0.0000
6 O5 Os M 4 3 2 1.483 136.062 95.09 -0.5610
7 C5 Cg M 6 4 3 1.483 117.768 -164.72 0.3770
8 H5A H1 E 7 6 4 1.091 109.204 66.57 0.0000
9 H5E H1 E 7 6 4 1.090 109.080 -175.36 0.0000
10 C4 Cg M 7 6 4 1.537 109.246 -54.64 0.1220
11 H4 H1 E 10 7 6 1.091 108.264 -65.95 0.0000
12 O4 Oh S 10 7 6 1.437 108.837 177.17 -0.6630
13 H4O Ho E 12 10 7 0.960 109.433 -61.56 0.4190
14 C3 Cg M 10 7 6 1.542 113.340 54.31 0.3450
15 H3 H1 E 14 10 7 1.091 110.108 -174.25 0.0000
16 C2 Cg B 14 10 7 1.542 108.334 -53.79 0.2530
17 H2 H1 E 16 14 10 1.091 106.798 -65.63 0.0000
18 O2 Oh S 16 14 10 1.439 110.674 178.86 -0.7110
19 H2O Ho E 18 16 14 0.960 109.367 -64.08 0.4190
20 O3 Os M 14 10 7 1.445 109.754 65.90 -0.4880
LOOP
C2 C1
DONE
3rB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.205 115.033 -133.24 0.4810
5 H1 H2 E 4 3 2 1.090 58.746 -70.52 0.0000
6 C2 Cg M 4 3 2 1.563 140.544 -157.28 0.3850
7 H2 H1 E 6 4 3 1.092 108.121 -109.69 0.0000
8 O2 Oh S 6 4 3 1.459 113.253 8.58 -0.7320
9 H2O Ho E 8 6 4 0.963 108.588 -45.68 0.4140
10 C3 Cg M 6 4 3 1.550 109.259 132.95 0.2030
11 H3 H1 E 10 6 4 1.091 109.709 178.53 0.0000
12 C4 Cg 3 10 6 4 1.548 108.635 58.66 0.2360
13 H4 H1 E 12 10 6 1.091 108.914 60.36 0.0000
14 C5 Cg 3 12 10 6 1.549 110.878 -58.91 0.3350
15 H5A H1 E 14 12 10 1.091 110.751 -65.58 0.0000
16 H5E H1 E 14 12 10 1.090 110.011 175.14 0.0000
17 O5 Os E 14 12 10 1.488 109.926 55.20 -0.5760
18 O4 Oh S 12 10 6 1.453 110.299 178.35 -0.6950
19 H4O Ho E 18 12 10 0.963 110.348 -71.99 0.4110
20 O3 Os M 10 6 4 1.460 111.251 -60.93 -0.4620
LOOP
O5 C1
DONE
3rD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 31.783 117.445 -130.09 0.4450
5 H1 H2 E 4 3 2 1.090 21.504 -157.11 0.0000
6 O4 Os M 4 3 2 1.561 97.975 72.12 -0.5130
7 C4 Cg M 6 4 3 1.590 113.384 153.92 0.3270
8 H4 H1 E 7 6 4 1.091 109.128 114.99 0.0000
9 C5 Cg 3 7 6 4 1.540 110.745 -124.36 0.1950
10 H51 H1 E 9 7 6 1.090 109.790 172.36 0.0000
11 H52 H1 E 9 7 6 1.090 109.854 53.62 0.0000
12 O5 Oh S 9 7 6 1.441 111.480 -67.27 -0.6670
13 H5O Ho E 12 9 7 0.961 110.927 -63.80 0.4080
14 C3 Cg M 7 6 4 1.627 104.801 -3.59 0.2750
15 H3 H1 E 14 7 6 1.090 111.845 -130.65 0.0000
16 C2 Cg B 14 7 6 1.641 107.074 -9.06 0.3180
17 H2 H1 E 16 14 7 1.090 106.590 -95.30 0.0000
18 O2 Oh S 16 14 7 1.461 113.571 147.17 -0.7090
19 H2O Ho E 18 16 14 0.962 110.320 57.03 0.4160
20 O3 Os M 14 7 6 1.452 108.122 109.49 -0.4950
LOOP
C2 C1
DONE
3rU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.407 114.701 -133.21 0.3780
5 H1 H1 E 4 3 2 1.091 84.946 -59.46 0.0000
6 C2 Cg M 4 3 2 1.633 131.021 -175.92 0.2930
7 H2 H1 E 6 4 3 1.091 111.731 -2.35 0.0000
8 O2 Oh S 6 4 3 1.462 109.045 117.82 -0.6700
9 H2O Ho E 8 6 4 0.963 109.628 -69.88 0.4200
10 C3 Cg M 6 4 3 1.643 106.357 -122.88 0.2890
11 H3 H1 E 10 6 4 1.091 108.114 103.55 0.0000
12 C4 Cg 3 10 6 4 1.616 107.735 -14.49 0.1020
13 H4 H1 E 12 10 6 1.091 109.546 -104.49 0.0000
14 C5 Cg 3 12 10 6 1.534 112.497 133.15 0.3380
15 H51 H1 E 14 12 10 1.090 110.394 -65.27 0.0000
16 H52 H1 E 14 12 10 1.090 110.006 54.34 0.0000
17 O5 Oh S 14 12 10 1.436 109.887 174.05 -0.6920
18 H5O Ho E 17 14 12 0.959 109.586 -178.63 0.4150
19 O4 Os E 12 10 6 1.587 104.949 11.40 -0.4240
20 O3 Os M 10 6 4 1.443 112.608 -136.62 -0.4490
LOOP
O4 C1
DONE
3tA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Oh S 9 7 6 1.434 108.863 -64.48 -0.6690
13 H6O Ho E 12 9 7 0.960 109.462 -59.57 0.4010
14 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
15 H4 H1 E 14 7 6 1.091 109.540 173.93 0.0000
16 O4 Oh S 14 7 6 1.443 109.067 -67.36 -0.7310
17 H4O Ho E 16 14 7 0.960 109.459 -59.56 0.4170
18 C3 Cg M 14 7 6 1.543 109.739 53.52 0.1240
19 H3 H1 E 18 14 7 1.091 106.734 65.74 0.0000
20 C2 Cg B 18 14 7 1.545 114.910 -52.34 0.2450
21 H2 H1 E 20 18 14 1.091 109.723 171.12 0.0000
22 O2 Oh S 20 18 14 1.440 110.347 -69.94 -0.6550
23 H2O Ho E 22 20 18 0.960 109.490 -179.95 0.4360
24 O3 Os M 18 14 7 1.439 110.707 -178.75 -0.4390
LOOP
C2 C1
DONE
3tB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 O2 Oh S 6 4 3 1.444 109.193 -100.97 -0.6370
9 H2O Ho E 8 6 4 0.960 109.413 58.90 0.3970
10 C3 Cg M 6 4 3 1.545 108.990 139.13 0.1740
11 H3 H1 E 10 6 4 1.091 106.777 -66.52 0.0000
12 C4 Cg 3 10 6 4 1.547 114.890 51.64 0.3140
13 H4 H1 E 12 10 6 1.091 109.570 -171.49 0.0000
14 C5 Cg 3 12 10 6 1.547 110.218 -50.96 0.0310
15 H5 H1 E 14 12 10 1.092 107.394 -65.47 0.0000
16 C6 Cg 3 14 12 10 1.535 115.137 174.64 0.3490
17 H61 H1 E 16 14 12 1.090 110.278 53.24 0.0000
18 H62 H1 E 16 14 12 1.091 110.886 -67.01 0.0000
19 O6 Oh S 16 14 12 1.434 108.837 172.73 -0.6660
20 H6O Ho E 19 16 14 0.960 109.430 59.34 0.4060
21 O5 Os E 14 12 10 1.487 109.426 51.66 -0.3540
22 O4 Oh S 12 10 6 1.443 110.169 69.26 -0.6260
23 H4O Ho E 22 12 10 0.960 109.455 179.72 0.4130
24 O3 Os M 10 6 4 1.439 110.677 177.92 -0.4470
LOOP
O5 C1
DONE
3uA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.331 115.066 -133.04 0.3630
5 H1 H2 E 4 3 2 1.090 112.585 40.61 0.0000
6 O5 Os M 4 3 2 1.464 75.208 -64.60 -0.5150
7 C5 Cg M 6 4 3 1.503 115.778 174.97 0.2320
8 H5 H1 E 7 6 4 1.091 106.633 176.67 0.0000
9 C6 C B 7 6 4 1.591 118.545 -64.62 0.6970
10 O6B O2 E 9 7 6 1.255 117.111 177.25 -0.7570
11 O6A O2 E 9 7 6 1.252 118.306 0.19 -0.7570
12 C4 Cg M 7 6 4 1.541 106.777 61.95 0.2230
13 H4 H1 E 12 7 6 1.092 108.348 60.65 0.0000
14 O4 Oh S 12 7 6 1.461 110.851 178.69 -0.7110
15 H4O Ho E 14 12 7 0.984 107.477 28.92 0.3970
16 C3 Cg M 12 7 6 1.551 110.331 -57.99 0.4170
17 H3 H1 E 16 12 7 1.092 108.572 -66.35 0.0000
18 C2 Cg B 16 12 7 1.555 113.490 54.77 0.2590
19 H2 H1 E 18 16 12 1.092 108.782 71.56 0.0000
20 O2 Oh S 18 16 12 1.469 110.384 -169.42 -0.6850
21 H2O Ho E 20 18 16 0.960 110.184 53.77 0.3850
22 O3 Os M 16 12 7 1.454 107.203 176.93 -0.5480
LOOP
C2 C1
DONE
3uB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.227 114.589 -133.46 0.2780
5 H1 H2 E 4 3 2 1.090 72.253 -57.04 0.0000
6 C2 Cg M 4 3 2 1.557 131.485 -157.03 0.2890
7 H2 H1 E 6 4 3 1.091 107.118 137.49 0.0000
8 O2 Oh S 6 4 3 1.455 112.599 20.48 -0.6800
9 H2O Ho E 8 6 4 0.964 105.470 -160.22 0.4220
10 C3 Cg M 6 4 3 1.545 111.752 -104.72 0.2860
11 H3 H1 E 10 6 4 1.091 110.248 64.55 0.0000
12 C4 Cg 3 10 6 4 1.552 109.635 -56.61 0.3080
13 H4 H1 E 12 10 6 1.092 107.907 -61.83 0.0000
14 C5 Cg 3 12 10 6 1.546 112.015 56.37 0.1940
15 H5 H1 E 14 12 10 1.091 107.278 -167.70 0.0000
16 C6 C B 14 12 10 1.581 111.637 77.65 0.7500
17 O6A O2 E 16 14 12 1.252 117.516 -129.70 -0.7830
18 O6B O2 E 16 14 12 1.255 117.682 48.62 -0.7830
19 O5 Os E 14 12 10 1.512 108.685 -52.87 -0.4300
20 O4 Oh S 12 10 6 1.456 110.245 -178.60 -0.7450
21 H4O Ho E 20 12 10 0.987 106.847 -97.51 0.4220
22 O3 Os M 10 6 4 1.460 109.228 -175.94 -0.5280
LOOP
O5 C1
DONE
3vA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.287 114.935 -133.03 0.3890
5 H1 H2 E 4 3 2 1.090 123.196 38.74 0.0000
6 O5 Os M 4 3 2 1.470 74.128 -62.95 -0.4660
7 C5 Cg M 6 4 3 1.497 117.776 -69.87 0.1120
8 H5 H1 E 7 6 4 1.091 107.067 65.15 0.0000
9 C6 Cg 3 7 6 4 1.543 110.655 -179.51 0.3620
10 H61 H1 E 9 7 6 1.090 109.608 -176.18 0.0000
11 H62 H1 E 9 7 6 1.090 110.167 -57.43 0.0000
12 O6 Oh S 9 7 6 1.435 111.052 63.47 -0.7110
13 H6O Ho E 12 9 7 0.972 106.687 28.27 0.4240
14 C4 Cg M 7 6 4 1.548 110.914 -51.03 0.3260
15 H4 H1 E 14 7 6 1.091 109.088 172.26 0.0000
16 O4 Oh S 14 7 6 1.450 110.237 -68.94 -0.7010
17 H4O Ho E 16 14 7 0.968 106.613 169.99 0.4420
18 C3 Cg M 14 7 6 1.547 111.081 51.89 0.1760
19 H3 H1 E 18 14 7 1.091 107.961 63.63 0.0000
20 C2 Cg B 18 14 7 1.551 111.657 -55.51 0.3990
21 H2 H1 E 20 18 14 1.092 107.862 -63.61 0.0000
22 N2 Ng B 20 18 14 1.483 110.775 178.49 -0.5950
23 H2N H E 22 20 18 1.007 117.335 -40.12 0.2380
24 C2N C B 22 20 18 1.336 122.570 153.82 0.6250
25 O2N O E 24 22 20 1.227 121.897 -4.65 -0.6050
26 CME Cg 3 24 22 20 1.541 116.317 175.68 0.0320
27 H1M Hc E 26 24 22 1.091 109.644 69.76 0.0000
28 H2M Hc E 26 24 22 1.091 110.181 -170.34 0.0000
29 H3M Hc E 26 24 22 1.091 110.069 -50.52 0.0000
30 O3 Os M 18 14 7 1.462 109.029 179.93 -0.4470
LOOP
C2 C1
DONE
3vB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.231 114.893 -133.39 0.3050
5 H1 H2 E 4 3 2 1.091 65.505 -67.74 0.0000
6 C2 Cg M 4 3 2 1.568 137.512 -160.40 0.5440
7 H2 H1 E 6 4 3 1.091 107.972 -101.23 0.0000
8 N2 Ng B 6 4 3 1.481 111.069 18.97 -0.6860
9 H2N H E 8 6 4 1.005 118.080 45.86 0.2540
10 C2N C B 8 6 4 1.336 122.747 -132.36 0.5860
11 CME Cg 3 10 8 6 1.543 116.272 -179.61 0.0560
12 H1M Hc E 11 10 8 1.091 109.419 84.79 0.0000
13 H2M Hc E 11 10 8 1.091 109.982 -155.53 0.0000
14 H3M Hc E 11 10 8 1.092 110.645 -35.56 0.0000
15 O2N O E 10 8 6 1.227 122.402 -0.23 -0.5640
16 C3 Cg M 6 4 3 1.558 108.807 140.94 0.1520
17 H3 H1 E 16 6 4 1.092 108.105 -63.18 0.0000
18 C4 Cg 3 16 6 4 1.544 111.369 55.44 0.2530
19 H4 H1 E 18 16 6 1.091 109.237 -177.04 0.0000
20 C5 Cg 3 18 16 6 1.544 111.265 -56.32 0.1360
21 H5 H1 E 20 18 16 1.092 107.572 -64.67 0.0000
22 C6 Cg 3 20 18 16 1.539 112.869 176.15 0.3530
23 H61 H1 E 22 20 18 1.091 110.331 53.32 0.0000
24 H62 H1 E 22 20 18 1.090 110.929 -67.00 0.0000
25 O6 Oh S 22 20 18 1.436 108.896 172.76 -0.7140
26 H6O Ho E 25 22 20 0.962 107.704 58.75 0.4270
27 O5 Os E 20 18 16 1.495 110.300 52.85 -0.4080
28 O4 Oh S 18 16 6 1.445 108.904 64.66 -0.6900
29 H4O Ho E 28 18 16 0.968 108.059 41.88 0.4400
30 O3 Os M 16 6 4 1.462 113.219 178.26 -0.4440
LOOP
O5 C1
DONE
3wA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.378 115.021 -132.94 0.4621
5 H1 H2 E 4 3 2 1.090 120.003 38.85 0.0000
6 O5 Os M 4 3 2 1.469 73.200 -63.39 -0.5415
7 C5 Cg M 6 4 3 1.495 117.898 -69.31 0.2421
8 H5 H1 E 7 6 4 1.092 106.799 68.49 0.0000
9 C6 Cg 3 7 6 4 1.545 109.924 -175.74 0.2995
10 H61 H1 E 9 7 6 1.090 109.924 -166.49 0.0000
11 H62 H1 E 9 7 6 1.090 109.575 -48.28 0.0000
12 O6 Oh S 9 7 6 1.443 112.033 72.71 -0.6618
13 H6O Ho E 12 9 7 0.961 109.813 82.79 0.3959
14 C4 Cg M 7 6 4 1.547 111.317 -49.02 0.3213
15 H4 H1 E 14 7 6 1.091 109.249 -73.83 0.0000
16 O4 Oh S 14 7 6 1.458 108.618 168.10 -0.7305
17 H4O Ho E 16 14 7 0.964 111.017 -68.07 0.4424
18 C3 Cg M 14 7 6 1.550 112.664 46.63 0.2520
19 H3 H1 E 18 14 7 1.091 108.491 68.12 0.0000
20 C2 Cg B 18 14 7 1.549 112.400 -51.61 0.2750
21 H2 H1 E 20 18 14 1.092 108.473 171.95 0.0000
22 N2 Ng B 20 18 14 1.482 111.789 -70.12 -0.4751
23 H2N H E 22 20 18 1.007 117.562 12.93 0.2142
24 C2N C B 22 20 18 1.336 123.787 -162.76 0.5909
25 O2N O E 24 22 20 1.229 122.265 -3.32 -0.5757
26 CME Cg 3 24 22 20 1.539 115.681 177.62 -0.0340
27 H1M Hc E 26 24 22 1.091 109.868 -60.00 0.0000
28 H2M Hc E 26 24 22 1.091 110.252 -179.93 0.0000
29 H3M Hc E 26 24 22 1.091 109.810 60.19 0.0000
30 O3 Os M 18 14 7 1.455 109.482 -174.62 -0.4768
LOOP
C2 C1
DONE
3wB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.322 114.834 -133.45 0.3870
5 H1 H2 E 4 3 2 1.091 67.634 -69.01 0.0000
6 C2 Cg M 4 3 2 1.557 139.933 -164.47 0.2940
7 H2 H1 E 6 4 3 1.092 107.791 25.05 0.0000
8 N2 Ng B 6 4 3 1.485 112.591 -94.31 -0.5580
9 H2N H E 8 6 4 1.007 117.378 -30.20 0.2650
10 C2N C B 8 6 4 1.337 123.528 147.74 0.5850
11 CME Cg 3 10 8 6 1.544 116.722 -177.13 0.0560
12 H1M Hc E 11 10 8 1.090 109.199 -104.92 0.0000
13 H2M Hc E 11 10 8 1.091 109.840 135.47 0.0000
14 H3M Hc E 11 10 8 1.092 111.211 15.23 0.0000
15 O2N O E 10 8 6 1.229 121.350 4.57 -0.6000
16 C3 Cg M 6 4 3 1.550 108.254 141.57 0.2170
17 H3 H1 E 16 6 4 1.092 107.807 -64.62 0.0000
18 C4 Cg 3 16 6 4 1.551 112.012 54.98 0.2770
19 H4 H1 E 18 16 6 1.092 109.220 68.41 0.0000
20 C5 Cg 3 18 16 6 1.549 111.754 -52.70 0.3210
21 H5 H1 E 20 18 16 1.092 108.891 -67.49 0.0000
22 C6 Cg 3 20 18 16 1.542 112.546 172.10 0.2470
23 H61 H1 E 22 20 18 1.090 110.437 60.16 0.0000
24 H62 H1 E 22 20 18 1.091 110.098 -59.35 0.0000
25 O6 Oh S 22 20 18 1.442 110.379 -179.51 -0.6630
26 H6O Ho E 25 22 20 0.962 108.929 56.35 0.4130
27 O5 Os E 20 18 16 1.498 109.860 50.66 -0.4980
28 O4 Oh S 18 16 6 1.447 108.869 -173.07 -0.7430
29 H4O Ho E 28 18 16 0.968 107.478 -48.60 0.4390
30 O3 Os M 16 6 4 1.458 111.031 177.66 -0.4390
LOOP
O5 C1
DONE
3xA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.412 115.134 -132.97 0.4820
5 H1 H2 E 4 3 2 1.090 123.148 41.70 0.0000
6 O5 Os M 4 3 2 1.463 72.514 -59.75 -0.5880
7 C5 Cg M 6 4 3 1.489 117.248 -67.03 0.3350
8 H5A H1 E 7 6 4 1.091 108.858 68.16 0.0000
9 H5E H1 E 7 6 4 1.090 108.909 -174.49 0.0000
10 C4 Cg M 7 6 4 1.539 111.025 -53.24 0.2470
11 H4 H1 E 10 7 6 1.091 108.937 -68.60 0.0000
12 O4 Oh S 10 7 6 1.453 108.593 173.08 -0.7200
13 H4O Ho E 12 10 7 0.967 107.931 -176.07 0.4200
14 C3 Cg M 10 7 6 1.547 110.634 51.97 0.3590
15 H3 H1 E 14 10 7 1.092 109.703 67.85 0.0000
16 C2 Cg B 14 10 7 1.543 112.192 -53.97 0.1970
17 H2 H1 E 16 14 10 1.091 108.478 -65.50 0.0000
18 O2 Oh S 16 14 10 1.464 110.541 176.58 -0.6560
19 H2O Ho E 18 16 14 0.967 109.241 -84.85 0.4090
20 O3 Os M 14 10 7 1.451 108.617 -173.43 -0.4850
LOOP
C2 C1
DONE
3xB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.464 114.825 -132.75 0.2480
5 H1 H2 E 4 3 2 1.091 66.134 -66.21 0.0000
6 C2 Cg M 4 3 2 1.557 136.744 -161.60 0.4250
7 H2 H1 E 6 4 3 1.092 109.351 -93.35 0.0000
8 O2 Oh S 6 4 3 1.452 109.095 25.68 -0.6990
9 H2O Ho E 8 6 4 0.965 106.939 -49.61 0.3980
10 C3 Cg M 6 4 3 1.547 111.138 145.56 0.2280
11 H3 H1 E 10 6 4 1.092 109.005 -68.97 0.0000
12 C4 Cg 3 10 6 4 1.546 111.370 51.34 0.2860
13 H4 H1 E 12 10 6 1.091 109.653 67.94 0.0000
14 C5 Cg 3 12 10 6 1.541 111.571 -53.00 0.3030
15 H5A H1 E 14 12 10 1.092 110.518 -66.11 0.0000
16 H5E H1 E 14 12 10 1.090 110.176 174.39 0.0000
17 O5 Os E 14 12 10 1.482 109.795 54.26 -0.4470
18 O4 Oh S 12 10 6 1.447 109.213 -172.90 -0.7230
19 H4O Ho E 18 12 10 0.966 107.383 -51.48 0.4300
20 O3 Os M 10 6 4 1.458 109.994 172.23 -0.4490
LOOP
O5 C1
DONE
3xD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.594 114.988 -132.87 0.4280
5 H1 H1 E 4 3 2 1.090 132.003 29.40 0.0000
6 O4 Os M 4 3 2 1.561 69.372 -71.25 -0.5070
7 C4 Cg M 6 4 3 1.593 113.153 -99.38 0.2370
8 H4 H1 E 7 6 4 1.090 108.789 116.35 0.0000
9 C5 Cg 3 7 6 4 1.543 109.223 -125.39 0.2800
10 H51 H1 E 9 7 6 1.090 111.083 166.42 0.0000
11 H52 H1 E 9 7 6 1.090 109.111 -74.77 0.0000
12 O5 Oh S 9 7 6 1.441 110.629 44.19 -0.6780
13 H5O Ho E 12 9 7 0.962 107.911 -53.44 0.4220
14 C3 Cg M 7 6 4 1.626 104.822 0.57 0.3020
15 H3 H1 E 14 7 6 1.091 107.635 106.72 0.0000
16 C2 Cg B 14 7 6 1.634 107.473 -10.20 0.2480
17 H2 H1 E 16 14 7 1.091 108.718 -100.07 0.0000
18 O2 Oh S 16 14 7 1.455 111.279 140.82 -0.6570
19 H2O Ho E 18 16 14 0.967 107.830 -104.95 0.4070
20 O3 Os M 14 7 6 1.447 113.750 -133.56 -0.4820
LOOP
C2 C1
DONE
3xU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.174 114.918 -132.94 0.3880
5 H1 H2 E 4 3 2 1.090 35.467 -62.24 0.0000
6 C2 Cg M 4 3 2 1.632 131.215 -128.66 0.3820
7 H2 H1 E 6 4 3 1.091 109.438 -95.81 0.0000
8 O2 Oh S 6 4 3 1.454 112.254 24.53 -0.7310
9 H2O Ho E 8 6 4 0.963 109.130 -68.38 0.4200
10 C3 Cg M 6 4 3 1.636 107.260 145.70 0.2240
11 H3 H1 E 10 6 4 1.091 109.533 -107.12 0.0000
12 C4 Cg 3 10 6 4 1.626 107.660 10.02 0.1420
13 H4 H1 E 12 10 6 1.091 108.631 -124.08 0.0000
14 C5 Cg 3 12 10 6 1.541 115.732 113.08 0.2850
15 H51 H1 E 14 12 10 1.090 109.960 60.60 0.0000
16 H52 H1 E 14 12 10 1.091 110.415 -59.03 0.0000
17 O5 Oh S 14 12 10 1.439 110.113 -179.62 -0.6350
18 H5O Ho E 17 14 12 0.959 109.575 -48.10 0.3960
19 O4 Os E 12 10 6 1.585 104.984 -8.09 -0.4270
20 O3 Os M 10 6 4 1.450 111.002 133.42 -0.4440
LOOP
O4 C1
DONE
3yA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.337 115.005 -132.87 0.4680
5 H1 H2 E 4 3 2 1.090 120.341 36.84 0.0000
6 O5 Os M 4 3 2 1.463 68.163 -62.20 -0.5680
7 C5 Cg M 6 4 3 1.500 118.098 -74.28 0.2460
8 H5 H1 E 7 6 4 1.092 107.019 68.26 0.0000
9 C6 Cg 3 7 6 4 1.544 110.054 -175.47 0.3280
10 H61 H1 E 9 7 6 1.090 109.603 -54.04 0.0000
11 H62 H1 E 9 7 6 1.090 110.073 -172.40 0.0000
12 O6 Oh S 9 7 6 1.444 111.701 66.58 -0.6880
13 H6O Ho E 12 9 7 0.960 109.460 -179.56 0.4210
14 C4 Cg M 7 6 4 1.544 111.305 -49.64 0.3220
15 H4 H1 E 14 7 6 1.091 109.775 -72.41 0.0000
16 O4 Oh S 14 7 6 1.448 108.615 168.54 -0.7330
17 H4O Ho E 16 14 7 0.967 106.060 -170.93 0.4490
18 C3 Cg M 14 7 6 1.546 112.523 49.14 0.1650
19 H3 H1 E 18 14 7 1.092 109.255 68.91 0.0000
20 C2 Cg B 18 14 7 1.547 112.211 -51.74 0.2450
21 H2 H1 E 20 18 14 1.092 107.659 -66.49 0.0000
22 N2 Ng B 20 18 14 1.486 111.285 175.94 -0.5520
23 H2N H E 22 20 18 1.009 115.982 -94.71 0.2360
24 C2N C B 22 20 18 1.338 124.714 81.84 0.5880
25 O2N O E 24 22 20 1.228 121.379 -4.88 -0.5790
26 CME Cg 3 24 22 20 1.544 117.110 175.73 0.0630
27 H1M Hc E 26 24 22 1.090 109.379 118.32 0.0000
28 H2M Hc E 26 24 22 1.091 109.387 -122.31 0.0000
29 H3M Hc E 26 24 22 1.092 111.363 -2.06 0.0000
30 O3 Os M 18 14 7 1.457 108.091 -173.19 -0.4110
LOOP
C2 C1
DONE
3yB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.305 114.875 -133.41 0.2870
5 H1 H2 E 4 3 2 1.091 64.963 -66.48 0.0000
6 C2 Cg M 4 3 2 1.566 139.050 -158.60 0.4800
7 H2 H1 E 6 4 3 1.092 107.602 -101.85 0.0000
8 N2 Ng B 6 4 3 1.484 111.108 18.10 -0.7220
9 H2N H E 8 6 4 1.006 117.592 43.53 0.3000
10 C2N C B 8 6 4 1.336 123.143 -126.00 0.6480
11 CME Cg 3 10 8 6 1.542 116.434 175.43 0.0340
12 H1M Hc E 11 10 8 1.091 109.335 82.58 0.0000
13 H2M Hc E 11 10 8 1.091 110.076 -157.79 0.0000
14 H3M Hc E 11 10 8 1.092 110.630 -37.74 0.0000
15 O2N O E 10 8 6 1.226 122.116 -6.61 -0.5760
16 C3 Cg M 6 4 3 1.555 109.532 140.96 0.1800
17 H3 H1 E 16 6 4 1.092 108.635 -66.15 0.0000
18 C4 Cg 3 16 6 4 1.547 110.847 53.41 0.3020
19 H4 H1 E 18 16 6 1.092 109.529 65.76 0.0000
20 C5 Cg 3 18 16 6 1.542 111.743 -55.82 0.2080
21 H5 H1 E 20 18 16 1.092 109.079 -62.53 0.0000
22 C6 Cg 3 20 18 16 1.540 112.556 176.83 0.2890
23 H61 H1 E 22 20 18 1.090 110.526 60.82 0.0000
24 H62 H1 E 22 20 18 1.091 110.298 -59.01 0.0000
25 O6 Oh S 22 20 18 1.439 109.712 -179.18 -0.6890
26 H6O Ho E 25 22 20 0.961 108.379 54.80 0.4240
27 O5 Os E 20 18 16 1.493 108.679 55.34 -0.4330
28 O4 Oh S 18 16 6 1.444 108.505 -175.54 -0.7160
29 H4O Ho E 28 18 16 0.967 106.789 -52.54 0.4360
30 O3 Os M 16 6 4 1.462 112.173 174.68 -0.4520
LOOP
O5 C1
DONE
3zA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.493 117.276 -129.39 0.3980
5 H1 H2 E 4 3 2 1.090 32.570 152.52 0.0000
6 O5 Os M 4 3 2 1.458 108.055 55.77 -0.5440
7 C5 Cg M 6 4 3 1.515 118.156 -151.21 0.1870
8 H5 H1 E 7 6 4 1.092 105.702 62.73 0.0000
9 C6 C B 7 6 4 1.597 117.705 178.26 0.7980
10 O6B O2 E 9 7 6 1.252 118.424 -16.19 -0.7870
11 O6A O2 E 9 7 6 1.259 117.589 166.79 -0.7870
12 C4 Cg M 7 6 4 1.550 110.155 -52.17 0.1930
13 H4 H1 E 12 7 6 1.091 108.479 -74.33 0.0000
14 O4 Oh S 12 7 6 1.452 107.400 168.29 -0.6820
15 H4O Ho E 14 12 7 0.983 105.869 47.72 0.4220
16 C3 Cg M 12 7 6 1.555 113.190 47.11 0.3000
17 H3 H1 E 16 12 7 1.092 108.970 72.43 0.0000
18 C2 Cg B 16 12 7 1.547 112.948 -48.46 0.3260
19 H2 H1 E 18 16 12 1.091 108.371 -69.20 0.0000
20 O2 Oh S 18 16 12 1.467 110.467 172.90 -0.7320
21 H2O Ho E 20 18 16 0.965 107.076 -83.83 0.4060
22 O3 Os M 16 12 7 1.458 110.360 -168.45 -0.4980
LOOP
C2 C1
DONE
3zB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 115.039 -133.39 0.2510
5 H1 H2 E 4 3 2 1.091 63.566 -66.62 0.0000
6 C2 Cg M 4 3 2 1.556 136.448 -159.63 0.4110
7 H2 H1 E 6 4 3 1.092 109.113 -96.54 0.0000
8 O2 Oh S 6 4 3 1.458 107.250 21.17 -0.7400
9 H2O Ho E 8 6 4 0.962 106.072 -51.06 0.4220
10 C3 Cg M 6 4 3 1.551 111.345 142.85 0.2660
11 H3 H1 E 10 6 4 1.092 108.729 -71.83 0.0000
12 C4 Cg 3 10 6 4 1.552 112.291 48.56 0.2670
13 H4 H1 E 12 10 6 1.092 109.244 70.35 0.0000
14 C5 Cg 3 12 10 6 1.542 113.280 -50.40 0.0750
15 H5 H1 E 14 12 10 1.092 107.974 -63.51 0.0000
16 C6 C B 14 12 10 1.584 111.106 -178.60 0.8930
17 O6A O2 E 16 14 12 1.252 118.262 -140.20 -0.8180
18 O6B O2 E 16 14 12 1.258 117.333 41.17 -0.8180
19 O5 Os E 14 12 10 1.502 108.303 51.87 -0.4130
20 O4 Oh S 12 10 6 1.449 108.610 -171.54 -0.7330
21 H4O Ho E 20 12 10 0.987 105.292 166.54 0.4290
22 O3 Os M 10 6 4 1.459 111.009 168.82 -0.4920
LOOP
O5 C1
DONE
4AA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.676 79.166 -133.49 0.4480
5 H1 H2 E 4 3 2 1.091 24.223 90.04 0.0000
6 C2 Cg M 4 3 2 1.547 97.401 -30.99 0.2680
7 H2 H1 E 6 4 3 1.092 109.940 -51.47 0.0000
8 O2 Oh S 6 4 3 1.437 106.880 64.80 -0.7350
9 H2O Ho E 8 6 4 0.960 109.480 -177.98 0.4430
10 C3 Cg M 6 4 3 1.543 115.075 -176.20 0.3350
11 H3 H1 E 10 6 4 1.091 110.217 -167.01 0.0000
12 O3 Oh S 10 6 4 1.441 106.949 75.66 -0.7720
13 H3O Ho E 12 10 6 0.960 109.473 59.41 0.4610
14 C4 Cg M 10 6 4 1.543 111.532 -44.66 0.2450
15 H4 H1 E 14 10 6 1.091 108.482 -68.58 0.0000
16 C5 Cg 3 14 10 6 1.532 112.944 51.47 0.3790
17 H5E H1 E 16 14 10 1.090 110.447 -175.26 0.0000
18 H5A H1 E 16 14 10 1.091 110.923 64.60 0.0000
19 O5 Os E 16 14 10 1.479 108.551 -55.64 -0.5640
20 O4 Os M 14 10 6 1.437 110.197 173.67 -0.5080
LOOP
O5 C1
DONE
4AB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.397 98.712 -136.08 0.3790
5 H1 H2 E 4 3 2 1.091 66.137 -93.73 0.0000
6 O5 Os M 4 3 2 1.466 132.905 172.33 -0.5290
7 C5 Cg M 6 4 3 1.485 114.414 139.79 0.3560
8 H5E H1 E 7 6 4 1.090 108.916 176.99 0.0000
9 H5A H1 E 7 6 4 1.091 109.188 -65.32 0.0000
10 C4 Cg M 7 6 4 1.546 110.184 56.30 0.2240
11 H4 H1 E 10 7 6 1.091 108.191 65.24 0.0000
12 C3 Cg 3 10 7 6 1.551 111.087 -54.27 0.2970
13 H3 H1 E 12 10 7 1.091 109.244 175.99 0.0000
14 O3 Oh S 12 10 7 1.454 109.593 -65.87 -0.6680
15 H3O Ho E 14 12 10 0.966 107.607 -47.31 0.4070
16 C2 Cg B 12 10 7 1.543 111.469 54.81 0.3000
17 H2 H1 E 16 12 10 1.091 109.979 -173.48 0.0000
18 O2 Oh S 16 12 10 1.460 108.027 68.57 -0.7000
19 H2O Ho E 18 16 12 0.965 107.206 -167.33 0.4180
20 O4 Os M 10 7 6 1.458 110.447 -177.16 -0.4840
LOOP
C2 C1
DONE
4BA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.626 99.556 -130.20 0.1300
5 C1 Cg 3 4 3 2 1.560 35.236 112.47 0.4280
6 H12 H1 E 5 4 3 1.091 110.098 -13.70 0.0000
7 H11 H1 E 5 4 3 1.090 109.813 104.72 0.0000
8 O1 Oh S 5 4 3 1.443 112.003 -134.19 -0.6780
9 H1O Ho E 8 5 4 0.961 107.457 73.22 0.3990
10 C3 Cg M 4 3 2 1.559 106.735 7.30 0.3720
11 H3 H1 E 10 4 3 1.092 108.445 98.55 0.0000
12 O3 Oh S 10 4 3 1.456 111.120 -18.72 -0.7160
13 H3O Ho E 12 10 4 0.964 107.033 -168.33 0.4300
14 C4 Cg M 10 4 3 1.548 110.877 -143.81 0.3350
15 H4 H1 E 14 10 4 1.092 109.910 62.48 0.0000
16 C5 Cg 3 14 10 4 1.550 109.394 -58.65 0.2240
17 H5 H1 E 16 14 10 1.091 109.416 -64.57 0.0000
18 C6 Cg 3 16 14 10 1.544 111.673 55.39 0.3410
19 H6E H1 E 18 16 14 1.090 110.000 -171.23 0.0000
20 H6A H1 E 18 16 14 1.091 110.069 70.07 0.0000
21 O6 Os E 18 16 14 1.491 111.103 -50.56 -0.5070
22 O5 Oh S 16 14 10 1.455 110.457 176.19 -0.6900
23 H5O Ho E 22 16 14 0.963 109.307 77.89 0.4290
24 O4 Os M 14 10 4 1.461 109.578 -178.37 -0.4970
LOOP
O6 C2
DONE
4BB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.404 98.269 -136.13 0.2270
5 C1 Cg 3 4 3 2 1.563 64.474 -94.95 0.2810
6 H12 H1 E 5 4 3 1.091 110.325 40.86 0.0000
7 H11 H1 E 5 4 3 1.090 110.121 159.57 0.0000
8 O1 Oh S 5 4 3 1.444 111.743 -80.01 -0.6260
9 H1O Ho E 8 5 4 0.960 109.452 179.75 0.3950
10 O6 Os M 4 3 2 1.482 134.628 169.57 -0.4770
11 C6 Cg M 10 4 3 1.485 116.916 144.77 0.3110
12 H6E H1 E 11 10 4 1.090 109.104 176.90 0.0000
13 H6A H1 E 11 10 4 1.091 109.162 -65.19 0.0000
14 C5 Cg M 11 10 4 1.543 109.751 56.11 0.3400
15 H5 H1 E 14 11 10 1.091 108.952 69.35 0.0000
16 O5 Oh S 14 11 10 1.444 108.793 -172.08 -0.7200
17 H5O Ho E 16 14 11 0.966 106.322 170.63 0.4290
18 C4 Cg M 14 11 10 1.545 112.662 -52.43 0.1080
19 H4 H1 E 18 14 11 1.092 109.257 -67.90 0.0000
20 C3 Cg B 18 14 11 1.550 110.670 52.18 0.4640
21 H3 H1 E 20 18 14 1.092 108.385 68.01 0.0000
22 O3 Oh S 20 18 14 1.453 108.659 -174.74 -0.7300
23 H3O Ho E 22 20 18 0.965 106.403 -179.38 0.4320
24 O4 Os M 18 14 11 1.460 109.081 173.87 -0.4340
LOOP
C3 C2
DONE
4BD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410
5 C1 Cg 3 4 3 2 1.546 4.633 -120.67 0.3130
6 H12 H1 E 5 4 3 1.090 110.325 114.28 0.0000
7 H11 H1 E 5 4 3 1.091 109.856 -126.60 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -6.24 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 -163.85 0.4140
10 C3 Cg M 4 3 2 1.641 111.508 16.65 0.4400
11 H3 H1 E 10 4 3 1.090 108.442 20.90 0.0000
12 O3 Oh S 10 4 3 1.453 115.892 -99.73 -0.7320
13 H3O Ho E 12 10 4 0.959 109.052 121.29 0.4040
14 C4 Cg M 10 4 3 1.636 106.644 136.55 0.2250
15 H4 H1 E 14 10 4 1.091 108.604 98.33 0.0000
16 C5 Cg 3 14 10 4 1.626 107.413 -17.56 0.2710
17 H5 H1 E 16 14 10 1.091 108.621 126.81 0.0000
18 C6 Cg 3 16 14 10 1.543 115.360 -109.99 0.2810
19 H62 H1 E 18 16 14 1.091 109.980 67.38 0.0000
20 H61 H1 E 18 16 14 1.090 110.249 -51.87 0.0000
21 O6 Oh S 18 16 14 1.443 110.886 -171.63 -0.6790
22 H6O Ho E 21 18 16 0.959 110.164 69.40 0.4110
23 O5 Os E 16 14 10 1.587 104.732 10.45 -0.4520
24 O4 Os M 14 10 4 1.457 112.032 -142.43 -0.4690
LOOP
O5 C2
DONE
4BU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470
5 C1 Cg 3 4 3 2 1.553 52.999 -106.31 0.2990
6 H12 H1 E 5 4 3 1.091 110.361 37.48 0.0000
7 H11 H1 E 5 4 3 1.091 109.538 156.30 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 -83.60 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 -172.60 0.3820
10 O5 Os M 4 3 2 1.568 142.358 -178.86 -0.3850
11 C5 Cg M 10 4 3 1.582 113.720 173.86 0.2100
12 H5 H1 E 11 10 4 1.091 108.799 -121.64 0.0000
13 C6 Cg 3 11 10 4 1.541 109.962 118.91 0.3320
14 H62 H1 E 13 11 10 1.090 110.302 -58.44 0.0000
15 H61 H1 E 13 11 10 1.090 109.861 -177.80 0.0000
16 O6 Oh S 13 11 10 1.442 110.695 62.46 -0.7010
17 H6O Ho E 16 13 11 0.959 110.169 52.94 0.4090
18 C4 Cg M 11 10 4 1.624 104.801 -5.21 0.2830
19 H4 H1 E 18 11 10 1.091 107.561 -105.82 0.0000
20 C3 Cg B 18 11 10 1.637 107.577 11.31 0.3820
21 H3 H1 E 20 18 11 1.091 108.163 103.95 0.0000
22 O3 Oh S 20 18 11 1.455 110.878 -138.10 -0.7420
23 H3O Ho E 22 20 18 0.963 108.479 -160.63 0.4260
24 O4 Os M 18 11 10 1.453 112.691 135.08 -0.5150
LOOP
C3 C2
DONE
4CA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.591 99.421 -130.21 0.3450
5 C1 Cg 3 4 3 2 1.567 41.168 109.23 0.3860
6 H12 H1 E 5 4 3 1.091 109.446 -31.55 0.0000
7 H11 H1 E 5 4 3 1.091 110.132 86.62 0.0000
8 O1 Oh S 5 4 3 1.446 112.801 -152.28 -0.6960
9 H1O Ho E 8 5 4 0.968 106.626 39.29 0.4020
10 C3 Cg M 4 3 2 1.575 105.291 0.80 0.2470
11 H3 H1 E 10 4 3 1.092 108.668 -30.87 0.0000
12 O3 Oh S 10 4 3 1.466 111.567 86.40 -0.6550
13 H3O Ho E 12 10 4 0.965 109.737 -159.40 0.4060
14 C4 Cg M 10 4 3 1.551 113.411 -152.18 0.3670
15 H4 H1 E 14 10 4 1.091 108.797 -167.01 0.0000
16 C5 Cg 3 14 10 4 1.544 112.343 -46.95 0.1950
17 H5 H1 E 16 14 10 1.091 108.612 -61.32 0.0000
18 C6 Cg 3 16 14 10 1.538 109.577 57.29 0.4370
19 H6E H1 E 18 16 14 1.090 109.936 -178.47 0.0000
20 H6A H1 E 18 16 14 1.091 110.981 62.19 0.0000
21 O6 Os E 18 16 14 1.483 109.646 -58.96 -0.6200
22 O5 Oh S 16 14 10 1.462 110.821 -179.28 -0.7090
23 H5O Ho E 22 16 14 0.964 110.741 154.55 0.4150
24 O4 Os M 14 10 4 1.450 110.082 76.05 -0.5200
LOOP
O6 C2
DONE
4CB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.453 98.094 -136.06 0.2440
5 C1 Cg 3 4 3 2 1.563 63.216 -96.90 0.2970
6 H12 H1 E 5 4 3 1.091 110.065 46.56 0.0000
7 H11 H1 E 5 4 3 1.088 110.800 165.58 0.0000
8 O1 Oh S 5 4 3 1.447 111.733 -74.36 -0.6690
9 H1O Ho E 8 5 4 0.961 109.456 -178.60 0.4010
10 O6 Os M 4 3 2 1.480 134.325 169.15 -0.4600
11 C6 Cg M 10 4 3 1.482 117.080 144.78 0.3650
12 H6E H1 E 11 10 4 1.090 108.978 178.11 0.0000
13 H6A H1 E 11 10 4 1.091 109.532 -63.87 0.0000
14 C5 Cg M 11 10 4 1.539 109.460 57.67 0.1950
15 H5 H1 E 14 11 10 1.091 107.780 64.61 0.0000
16 O5 Oh S 14 11 10 1.457 110.279 -178.31 -0.6840
17 H5O Ho E 16 14 11 0.965 109.084 80.29 0.4150
18 C4 Cg M 14 11 10 1.549 112.024 -54.46 0.3440
19 H4 H1 E 18 14 11 1.091 108.628 172.57 0.0000
20 C3 Cg B 18 14 11 1.551 111.995 51.70 0.3170
21 H3 H1 E 20 18 14 1.091 109.680 -170.27 0.0000
22 O3 Oh S 20 18 14 1.453 106.815 73.47 -0.6970
23 H3O Ho E 22 20 18 0.968 105.774 -153.52 0.4070
24 O4 Os M 18 14 11 1.459 109.986 -70.35 -0.4750
LOOP
C3 C2
DONE
4CD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840
5 C1 Cg 3 4 3 2 1.556 9.626 -136.04 0.3700
6 H12 H1 E 5 4 3 1.091 109.651 88.60 0.0000
7 H11 H1 E 5 4 3 1.091 110.210 -152.55 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -31.57 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 49.38 0.4140
10 C3 Cg M 4 3 2 1.638 108.658 19.86 0.2820
11 H3 H1 E 10 4 3 1.091 111.006 -104.35 0.0000
12 O3 Oh S 10 4 3 1.460 111.917 16.34 -0.7160
13 H3O Ho E 12 10 4 0.965 109.355 -165.56 0.4320
14 C4 Cg M 10 4 3 1.638 106.495 134.41 0.3320
15 H4 H1 E 14 10 4 1.091 111.116 -136.07 0.0000
16 C5 Cg 3 14 10 4 1.621 107.987 -13.87 0.3090
17 H5 H1 E 16 14 10 1.092 110.544 126.66 0.0000
18 C6 Cg 3 16 14 10 1.538 111.506 -110.78 0.2650
19 H62 H1 E 18 16 14 1.091 109.952 69.16 0.0000
20 H61 H1 E 18 16 14 1.090 109.956 -49.70 0.0000
21 O6 Oh S 18 16 14 1.442 111.246 -169.72 -0.6640
22 H6O Ho E 21 18 16 0.960 110.855 67.48 0.4120
23 O5 Os E 16 14 10 1.584 104.926 8.85 -0.4980
24 O4 Os M 14 10 4 1.453 108.919 105.00 -0.5340
LOOP
O5 C2
DONE
4CU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390
5 C1 Cg 3 4 3 2 1.537 69.500 -144.67 0.2870
6 H12 H1 E 5 4 3 1.091 110.638 29.87 0.0000
7 H11 H1 E 5 4 3 1.091 109.952 149.16 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 -91.14 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 -179.97 0.4010
10 O5 Os M 4 3 2 1.575 147.962 122.92 -0.4490
11 C5 Cg M 10 4 3 1.577 112.749 -165.42 0.3100
12 H5 H1 E 11 10 4 1.092 109.362 -121.32 0.0000
13 C6 Cg 3 11 10 4 1.529 108.415 119.08 0.2720
14 H62 H1 E 13 11 10 1.091 110.618 -56.09 0.0000
15 H61 H1 E 13 11 10 1.090 110.315 -176.31 0.0000
16 O6 Oh S 13 11 10 1.433 108.667 64.08 -0.6520
17 H6O Ho E 16 13 11 0.960 109.494 59.32 0.3970
18 C4 Cg M 11 10 4 1.622 105.503 -1.90 0.2930
19 H4 H1 E 18 11 10 1.092 112.170 133.69 0.0000
20 C3 Cg B 18 11 10 1.624 107.882 8.77 0.3330
21 H3 H1 E 20 18 11 1.091 112.343 -135.61 0.0000
22 O3 Oh S 20 18 11 1.439 105.085 106.18 -0.6910
23 H3O Ho E 22 20 18 0.960 109.418 -177.11 0.4100
24 O4 Os M 18 11 10 1.434 107.738 -106.47 -0.5260
LOOP
C3 C2
DONE
4DA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.544 98.481 -135.71 0.3980
5 H1 H2 E 4 3 2 1.090 143.293 157.80 0.0000
6 C2 Cg M 4 3 2 1.559 100.528 13.66 0.2460
7 H2 H1 E 6 4 3 1.091 109.379 88.56 0.0000
8 O2 Oh S 6 4 3 1.458 109.515 -153.38 -0.6780
9 H2O Ho E 8 6 4 0.962 110.757 -69.34 0.4320
10 C3 Cg M 6 4 3 1.549 110.494 -31.75 0.1840
11 H3 H1 E 10 6 4 1.091 107.825 63.24 0.0000
12 O3 Oh S 10 6 4 1.459 111.377 -179.63 -0.6550
13 H3O Ho E 12 10 6 0.962 110.146 -45.63 0.4170
14 C4 Cg M 10 6 4 1.545 111.008 -55.58 0.3510
15 H4 H1 E 14 10 6 1.091 110.279 -64.03 0.0000
16 C5 Cg 3 14 10 6 1.543 110.247 57.45 0.2750
17 H5E H1 E 16 14 10 1.090 110.034 -173.80 0.0000
18 H5A H1 E 16 14 10 1.092 109.852 67.71 0.0000
19 O5 Os E 16 14 10 1.490 111.684 -52.70 -0.4870
20 O4 Os M 14 10 6 1.447 108.954 176.38 -0.4830
LOOP
O5 C1
DONE
4DB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.719 100.298 -130.46 0.4480
5 H1 H2 E 4 3 2 1.091 138.149 179.98 0.0000
6 O5 Os M 4 3 2 1.480 43.169 119.64 -0.5190
7 C5 Cg M 6 4 3 1.480 115.118 -158.52 0.2750
8 H5E H1 E 7 6 4 1.090 109.162 177.52 0.0000
9 H5A H1 E 7 6 4 1.092 108.688 -64.77 0.0000
10 C4 Cg M 7 6 4 1.539 110.071 56.42 0.3350
11 H4 H1 E 10 7 6 1.091 109.494 72.24 0.0000
12 C3 Cg 3 10 7 6 1.543 111.797 -50.34 0.2010
13 H3 H1 E 12 10 7 1.092 109.081 -68.08 0.0000
14 O3 Oh S 12 10 7 1.440 109.833 173.78 -0.7010
15 H3O Ho E 14 12 10 0.960 109.476 58.38 0.4320
16 C2 Cg B 12 10 7 1.543 112.432 51.79 0.2260
17 H2 H1 E 16 12 10 1.091 110.138 -175.60 0.0000
18 O2 Oh S 16 12 10 1.446 109.378 64.40 -0.6450
19 H2O Ho E 18 16 12 0.960 109.425 -178.57 0.4150
20 O4 Os M 10 7 6 1.436 107.087 -169.38 -0.4670
LOOP
C2 C1
DONE
4EA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 O2 Oh S 6 4 3 1.437 106.903 53.10 -0.6900
9 H2O Ho E 8 6 4 0.960 109.486 -57.88 0.4470
10 C3 Cg M 6 4 3 1.541 114.896 172.06 0.3280
11 H3 H1 E 10 6 4 1.091 110.106 -167.45 0.0000
12 O3 Oh S 10 6 4 1.442 106.866 75.38 -0.7140
13 H3O Ho E 12 10 6 0.960 109.461 58.71 0.4200
14 C4 Cg M 10 6 4 1.544 111.809 -45.05 0.2610
15 H4 H1 E 14 10 6 1.091 108.188 -68.68 0.0000
16 C5 Cg 3 14 10 6 1.541 113.133 51.50 0.3740
17 H5 H1 E 16 14 10 1.092 109.237 63.30 0.0000
18 C6 Cg 3 16 14 10 1.535 114.012 -174.39 0.2590
19 H62 H1 E 18 16 14 1.090 110.525 -56.55 0.0000
20 H61 H1 E 18 16 14 1.091 110.727 63.66 0.0000
21 O6 Oh S 18 16 14 1.434 108.916 -175.95 -0.6630
22 H6O Ho E 21 18 16 0.960 109.470 59.69 0.4060
23 O5 Os E 16 14 10 1.485 107.816 -54.81 -0.5870
24 O4 Os M 14 10 6 1.439 109.304 174.29 -0.5000
LOOP
O5 C1
DONE
4EB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Oh S 9 7 6 1.439 109.977 57.72 -0.6770
13 H6O Ho E 12 9 7 0.962 108.042 -50.79 0.4080
14 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
15 H4 H1 E 14 7 6 1.091 108.584 66.50 0.0000
16 C3 Cg 3 14 7 6 1.554 111.196 -53.07 0.3150
17 H3 H1 E 16 14 7 1.091 109.198 176.72 0.0000
18 O3 Oh S 16 14 7 1.454 110.601 -64.53 -0.6810
19 H3O Ho E 18 16 14 0.965 108.397 -50.06 0.4030
20 C2 Cg B 16 14 7 1.540 111.264 55.77 0.1840
21 H2 H1 E 20 16 14 1.091 109.856 -175.33 0.0000
22 O2 Oh S 20 16 14 1.463 107.825 66.95 -0.6970
23 H2O Ho E 22 20 16 0.966 108.305 -175.24 0.4320
24 O4 Os M 14 7 6 1.457 110.564 -175.67 -0.4980
LOOP
C2 C1
DONE
4FA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.482 98.666 -135.91 0.3990
5 H1 H2 E 4 3 2 1.090 143.009 167.64 0.0000
6 C2 Cg M 4 3 2 1.566 103.719 15.57 0.4560
7 H2 H1 E 6 4 3 1.091 107.661 -140.81 0.0000
8 O2 Oh S 6 4 3 1.463 112.192 101.91 -0.8040
9 H2O Ho E 8 6 4 0.961 108.560 155.60 0.4530
10 C3 Cg M 6 4 3 1.550 109.810 -22.26 0.2280
11 H3 H1 E 10 6 4 1.091 109.256 60.66 0.0000
12 O3 Oh S 10 6 4 1.464 112.278 179.81 -0.6930
13 H3O Ho E 12 10 6 0.965 108.720 -78.93 0.4260
14 C4 Cg M 10 6 4 1.549 109.944 -58.35 0.2630
15 H4 H1 E 14 10 6 1.091 108.978 175.77 0.0000
16 C5 Cg 3 14 10 6 1.554 111.442 55.77 0.1870
17 H5 H1 E 16 14 10 1.091 107.126 67.59 0.0000
18 C6 Cg 3 16 14 10 1.531 115.122 -173.47 0.0650
19 H63 Hc E 18 16 14 1.090 111.280 -55.79 0.0000
20 H62 Hc E 18 16 14 1.091 111.136 -175.22 0.0000
21 H61 Hc E 18 16 14 1.091 112.013 64.74 0.0000
22 O5 Os E 16 14 10 1.495 111.650 -50.00 -0.4940
23 O4 Os M 14 10 6 1.452 109.204 -66.42 -0.4860
LOOP
O5 C1
DONE
4FB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 27.023 80.980 -137.29 0.4180
5 H1 H2 E 4 3 2 1.091 89.699 -141.90 0.0000
6 O5 Os M 4 3 2 1.479 135.888 101.36 -0.4420
7 C5 Cg M 6 4 3 1.481 116.331 175.37 0.1060
8 H5 H1 E 7 6 4 1.092 108.301 -57.82 0.0000
9 C6 Cg 3 7 6 4 1.531 108.182 -173.94 0.0920
10 H63 Hc E 9 7 6 1.091 111.199 179.97 0.0000
11 H62 Hc E 9 7 6 1.091 112.070 -59.60 0.0000
12 H61 Hc E 9 7 6 1.091 111.160 60.55 0.0000
13 C4 Cg M 7 6 4 1.543 108.818 59.65 0.2290
14 H4 H1 E 13 7 6 1.091 109.875 -177.36 0.0000
15 C3 Cg 3 13 7 6 1.542 109.625 -56.43 0.2550
16 H3 H1 E 15 13 7 1.092 107.830 -66.01 0.0000
17 O3 Oh S 15 13 7 1.440 109.284 176.95 -0.6760
18 H3O Ho E 17 15 13 0.960 109.419 178.46 0.4270
19 C2 Cg B 15 13 7 1.542 112.898 54.44 0.3460
20 H2 H1 E 19 15 13 1.092 109.972 72.13 0.0000
21 O2 Oh S 19 15 13 1.439 107.835 -168.68 -0.7650
22 H2O Ho E 21 19 15 0.960 109.418 -179.92 0.4400
23 O4 Os M 13 7 6 1.445 108.672 63.53 -0.4300
LOOP
C2 C1
DONE
4GA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 O2 Oh S 6 4 3 1.465 111.499 -41.43 -0.7130
9 H2O Ho E 8 6 4 0.967 109.170 -40.31 0.4370
10 C3 Cg M 6 4 3 1.543 111.424 -164.87 0.2860
11 H3 H1 E 10 6 4 1.092 109.239 69.49 0.0000
12 O3 Oh S 10 6 4 1.452 108.531 -172.18 -0.6990
13 H3O Ho E 12 10 6 0.967 107.382 -43.08 0.4270
14 C4 Cg M 10 6 4 1.547 112.114 -52.22 0.2540
15 H4 H1 E 14 10 6 1.092 109.454 -66.45 0.0000
16 C5 Cg 3 14 10 6 1.543 111.254 54.50 0.2830
17 H5 H1 E 16 14 10 1.092 108.261 65.38 0.0000
18 C6 Cg 3 16 14 10 1.546 112.538 -174.79 0.2760
19 H62 H1 E 18 16 14 1.090 110.682 -45.93 0.0000
20 H61 H1 E 18 16 14 1.091 110.014 73.31 0.0000
21 O6 Oh S 18 16 14 1.444 110.823 -165.78 -0.6820
22 H6O Ho E 21 18 16 0.960 109.735 78.35 0.4180
23 O5 Os E 16 14 10 1.500 109.539 -52.54 -0.5740
24 O4 Os M 14 10 6 1.451 108.956 174.69 -0.4680
LOOP
O5 C1
DONE
4GB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Oh S 9 7 6 1.440 109.810 57.27 -0.6880
13 H6O Ho E 12 9 7 0.962 108.265 -53.10 0.4240
14 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
15 H4 H1 E 14 7 6 1.092 109.352 66.92 0.0000
16 C3 Cg 3 14 7 6 1.548 111.306 -54.04 0.2840
17 H3 H1 E 16 14 7 1.092 109.104 -67.30 0.0000
18 O3 Oh S 16 14 7 1.454 108.817 174.47 -0.7090
19 H3O Ho E 18 16 14 0.967 107.396 -174.95 0.4320
20 C2 Cg B 16 14 7 1.545 112.113 53.55 0.3100
21 H2 H1 E 20 16 14 1.092 109.394 68.33 0.0000
22 O2 Oh S 20 16 14 1.458 108.975 -172.91 -0.7180
23 H2O Ho E 22 20 16 0.966 108.053 175.61 0.4370
24 O4 Os M 14 7 6 1.448 108.899 -174.36 -0.4680
LOOP
C2 C1
DONE
4GL INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 C5 Cg 3 11 8 4 1.567 112.768 48.37 0.4560
14 H5 H1 E 13 11 8 1.092 108.297 68.08 0.0000
15 C6 Cg 3 13 11 8 1.539 108.763 -49.82 0.0900
16 H6 H1 E 15 13 11 1.090 106.039 -60.75 0.0000
17 C7 Cg 3 15 13 11 1.539 119.513 -178.30 0.2610
18 H7 H1 E 17 15 13 1.091 108.030 65.66 0.0000
19 C8 Cg 3 17 15 13 1.556 112.912 -174.86 0.2810
20 H8 H1 E 19 17 15 1.091 109.679 63.78 0.0000
21 C9 Cg 3 19 17 15 1.546 111.802 -175.39 0.2520
22 H9S H1 E 21 19 17 1.090 110.707 -58.01 0.0000
23 H9R H1 E 21 19 17 1.091 110.154 61.57 0.0000
24 O9 Oh S 21 19 17 1.442 110.110 -178.23 -0.6810
25 H9O Ho E 24 21 19 0.966 105.599 -41.84 0.4170
26 O8 Oh S 19 17 15 1.465 109.875 -55.42 -0.6830
27 H8O Ho E 26 19 17 0.989 111.171 71.70 0.4230
28 O7 Oh S 17 15 13 1.451 109.645 -51.18 -0.7120
29 H7O Ho E 28 17 15 0.975 109.093 67.68 0.4080
30 O6 Oy E 15 13 11 1.441 107.618 56.16 -0.3040
31 N5 Ng B 13 11 8 1.485 111.696 -171.77 -0.7570
32 H5N H E 31 13 11 1.009 118.343 39.83 0.3120
33 C5N C B 31 13 11 1.340 123.871 -145.50 0.6520
34 CME Cg 3 33 31 13 1.585 118.309 179.32 0.2780
35 H2M H1 E 34 33 31 1.090 107.247 -134.99 0.0000
36 H1M H1 E 34 33 31 1.090 107.406 109.99 0.0000
37 OHG Oh S 34 33 31 1.456 118.581 -12.68 -0.6530
38 HOG Ho E 37 34 33 0.961 109.618 -127.32 0.3850
39 O5N O E 33 31 13 1.229 120.643 -1.25 -0.6120
40 O4 Os M 11 8 4 1.459 108.592 172.16 -0.5580
LOOP
O6 C2
DONE
4HA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.582 98.678 -136.05 0.3940
5 H1 H2 E 4 3 2 1.090 147.150 175.74 0.0000
6 C2 Cg M 4 3 2 1.554 100.578 20.48 0.2480
7 H2 H1 E 6 4 3 1.091 109.542 95.73 0.0000
8 O2 Oh S 6 4 3 1.456 109.547 -146.01 -0.6700
9 H2O Ho E 8 6 4 0.965 106.818 171.13 0.4210
10 C3 Cg M 6 4 3 1.545 110.654 -24.92 0.2360
11 H3 H1 E 10 6 4 1.092 108.370 66.81 0.0000
12 O3 Oh S 10 6 4 1.452 109.719 -175.81 -0.6490
13 H3O Ho E 12 10 6 0.965 106.808 176.43 0.4250
14 C4 Cg M 10 6 4 1.545 112.380 -53.49 0.1870
15 H4 H1 E 14 10 6 1.091 109.690 -65.16 0.0000
16 C5 Cg 3 14 10 6 1.549 110.317 55.89 0.2790
17 H5 H1 E 16 14 10 1.092 108.902 66.22 0.0000
18 C6 Cg 3 16 14 10 1.530 113.869 -172.74 0.0230
19 H63 Hc E 18 16 14 1.090 111.509 -61.06 0.0000
20 H62 Hc E 18 16 14 1.091 111.314 179.43 0.0000
21 H61 Hc E 18 16 14 1.091 111.668 59.25 0.0000
22 O5 Os E 16 14 10 1.486 110.695 -52.49 -0.4610
23 O4 Os M 14 10 6 1.456 108.727 175.97 -0.4330
LOOP
O5 C1
DONE
4HB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 29.347 69.123 -148.90 0.3810
5 H1 H2 E 4 3 2 1.091 126.377 48.27 0.0000
6 O5 Os M 4 3 2 1.479 92.197 -66.81 -0.4270
7 C5 Cg M 6 4 3 1.483 115.750 -171.42 0.1720
8 H5 H1 E 7 6 4 1.092 107.917 -63.31 0.0000
9 C6M Cg 3 7 6 4 1.530 107.056 -179.94 0.0390
10 H1M Hc E 9 7 6 1.091 111.297 57.52 0.0000
11 H2M Hc E 9 7 6 1.091 111.709 -62.68 0.0000
12 H3M Hc E 9 7 6 1.091 111.441 177.01 0.0000
13 C4 Cg M 7 6 4 1.547 109.717 55.61 0.3880
14 H4 H1 E 13 7 6 1.092 109.750 73.54 0.0000
15 C3 Cg 3 13 7 6 1.543 112.131 -48.94 0.1820
16 H3 H1 E 15 13 7 1.092 109.049 -68.66 0.0000
17 O3 Oh S 15 13 7 1.440 109.818 173.25 -0.6650
18 H3O Ho E 17 15 13 0.960 109.425 57.73 0.4180
19 C2 Cg B 15 13 7 1.542 112.684 51.25 0.2430
20 H2 H1 E 19 15 13 1.091 110.140 -175.78 0.0000
21 O2 Oh S 19 15 13 1.446 109.350 64.20 -0.6730
22 H2O Ho E 21 19 15 0.960 109.408 59.77 0.4320
23 O4 Os M 13 7 6 1.438 107.632 -167.68 -0.4900
LOOP
C2 C1
DONE
4JA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.611 99.408 -130.23 0.1140
5 C1 Cg 3 4 3 2 1.562 33.359 109.85 0.4100
6 H12 H1 E 5 4 3 1.091 109.780 -32.30 0.0000
7 H11 H1 E 5 4 3 1.091 110.432 86.63 0.0000
8 O1 Oh S 5 4 3 1.437 111.258 -152.64 -0.6560
9 H1O Ho E 8 5 4 0.970 105.489 31.79 0.4050
10 C3 Cg M 4 3 2 1.561 108.078 4.40 0.2710
11 H3 H1 E 10 4 3 1.091 109.484 -29.48 0.0000
12 O3 Oh S 10 4 3 1.458 110.234 89.20 -0.6540
13 H3O Ho E 12 10 4 0.966 107.634 165.84 0.4250
14 C4 Cg M 10 4 3 1.550 111.054 -149.95 0.2810
15 H4 H1 E 14 10 4 1.091 108.892 64.55 0.0000
16 C5 Cg 3 14 10 4 1.547 111.417 -55.51 0.2730
17 H5 H1 E 16 14 10 1.091 109.946 -64.34 0.0000
18 C6 Cg 3 16 14 10 1.541 110.532 56.44 0.3680
19 H6E H1 E 18 16 14 1.090 110.023 -172.59 0.0000
20 H6A H1 E 18 16 14 1.091 109.951 68.78 0.0000
21 O6 Os E 18 16 14 1.489 111.422 -51.66 -0.5040
22 O5 Oh S 16 14 10 1.453 109.662 176.22 -0.6990
23 H5O Ho E 22 16 14 0.965 108.090 56.66 0.4190
24 O4 Os M 14 10 4 1.460 109.496 -177.99 -0.4530
LOOP
O6 C2
DONE
4JB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.338 98.495 -136.31 0.4130
5 C1 Cg 3 4 3 2 1.565 68.430 -90.76 0.2800
6 H12 H1 E 5 4 3 1.091 109.821 33.19 0.0000
7 H11 H1 E 5 4 3 1.089 110.419 151.32 0.0000
8 O1 Oh S 5 4 3 1.444 112.820 -88.26 -0.7220
9 H1O Ho E 8 5 4 0.965 107.671 41.74 0.4320
10 O6 Os M 4 3 2 1.484 136.913 168.93 -0.5510
11 C6 Cg M 10 4 3 1.484 117.065 151.25 0.2920
12 H6E H1 E 11 10 4 1.090 109.046 175.12 0.0000
13 H6A H1 E 11 10 4 1.091 108.728 -67.49 0.0000
14 C5 Cg M 11 10 4 1.547 111.063 53.76 0.3740
15 H5 H1 E 14 11 10 1.091 108.987 71.66 0.0000
16 O5 Oh S 14 11 10 1.455 109.300 -169.66 -0.7290
17 H5O Ho E 16 14 11 0.962 111.074 52.54 0.4260
18 C4 Cg M 14 11 10 1.550 111.895 -49.63 0.1550
19 H4 H1 E 18 14 11 1.090 108.402 -67.51 0.0000
20 C3 Cg B 18 14 11 1.551 111.966 52.01 0.3630
21 H3 H1 E 20 18 14 1.091 109.562 -175.27 0.0000
22 O3 Oh S 20 18 14 1.461 107.359 67.28 -0.7250
23 H3O Ho E 22 20 18 0.967 106.570 50.21 0.4320
24 O4 Os M 18 14 11 1.459 110.935 175.25 -0.4400
LOOP
C3 C2
DONE
4JD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920
5 C1 Cg 3 4 3 2 1.554 10.224 -140.48 0.3890
6 H12 H1 E 5 4 3 1.091 109.769 84.88 0.0000
7 H11 H1 E 5 4 3 1.091 110.219 -156.13 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -35.41 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 50.29 0.3800
10 C3 Cg M 4 3 2 1.637 108.016 16.20 0.3930
11 H3 H1 E 10 4 3 1.091 112.376 -99.86 0.0000
12 O3 Oh S 10 4 3 1.455 110.333 22.08 -0.7480
13 H3O Ho E 12 10 4 0.969 106.278 138.38 0.4460
14 C4 Cg M 10 4 3 1.642 105.965 138.66 0.2330
15 H4 H1 E 14 10 4 1.090 107.367 95.04 0.0000
16 C5 Cg 3 14 10 4 1.625 107.375 -19.81 0.1900
17 H5 H1 E 16 14 10 1.091 108.940 130.16 0.0000
18 C6 Cg 3 16 14 10 1.542 114.908 -106.54 0.3400
19 H62 H1 E 18 16 14 1.090 110.250 66.65 0.0000
20 H61 H1 E 18 16 14 1.090 110.186 -52.85 0.0000
21 O6 Oh S 18 16 14 1.441 110.517 -172.30 -0.7250
22 H6O Ho E 21 18 16 0.959 110.296 58.30 0.4250
23 O5 Os E 16 14 10 1.585 104.597 13.44 -0.4100
24 O4 Os M 14 10 4 1.458 113.311 -146.22 -0.4510
LOOP
O5 C2
DONE
4JU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510
5 C1 Cg 3 4 3 2 1.554 50.342 -105.76 0.3330
6 H12 H1 E 5 4 3 1.090 110.121 39.98 0.0000
7 H11 H1 E 5 4 3 1.090 109.574 158.57 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 -81.07 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 -173.81 0.4150
10 O5 Os M 4 3 2 1.569 141.794 -176.42 -0.3890
11 C5 Cg M 10 4 3 1.585 113.364 166.72 0.1000
12 H5 H1 E 11 10 4 1.089 109.200 -122.53 0.0000
13 C6 Cg 3 11 10 4 1.537 108.498 118.12 0.3490
14 H62 H1 E 13 11 10 1.089 110.316 -54.99 0.0000
15 H61 H1 E 13 11 10 1.090 111.054 -175.70 0.0000
16 O6 Oh S 13 11 10 1.435 108.026 64.54 -0.6840
17 H6O Ho E 16 13 11 0.962 107.568 -44.32 0.4110
18 C4 Cg M 11 10 4 1.619 104.895 -5.59 0.2840
19 H4 H1 E 18 11 10 1.091 107.554 -103.32 0.0000
20 C3 Cg B 18 11 10 1.639 107.844 12.75 0.2230
21 H3 H1 E 20 18 11 1.090 110.597 -136.61 0.0000
22 O3 Oh S 20 18 11 1.460 109.186 103.85 -0.6710
23 H3O Ho E 22 20 18 0.971 106.808 -128.68 0.4160
24 O4 Os M 18 11 10 1.442 113.035 137.27 -0.4410
LOOP
C3 C2
DONE
4KA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 O2 Oh S 6 4 3 1.439 110.808 -54.40 -0.7160
9 H2O Ho E 8 6 4 0.960 109.409 -63.57 0.4270
10 C3 Cg M 6 4 3 1.544 115.219 178.76 0.3540
11 H3 H1 E 10 6 4 1.091 109.846 -171.16 0.0000
12 O3 Oh S 10 6 4 1.440 110.218 69.79 -0.7440
13 H3O Ho E 12 10 6 0.960 109.437 59.70 0.4360
14 C4 Cg M 10 6 4 1.541 111.196 -48.97 0.1960
15 H4 H1 E 14 10 6 1.091 109.723 170.85 0.0000
16 C5 Cg 3 14 10 6 1.549 113.058 48.50 0.3010
17 H5 H1 E 16 14 10 1.092 107.347 66.38 0.0000
18 C6 Cg 3 16 14 10 1.535 114.885 -173.99 0.2870
19 H62 H1 E 18 16 14 1.090 110.246 -52.70 0.0000
20 H61 H1 E 18 16 14 1.091 110.887 67.51 0.0000
21 O6 Oh S 18 16 14 1.434 108.908 -172.15 -0.6910
22 H6O Ho E 21 18 16 0.960 109.471 59.53 0.4220
23 O5 Os E 16 14 10 1.489 109.902 -50.90 -0.5400
24 O4 Os M 14 10 6 1.440 107.338 -72.13 -0.4860
LOOP
O5 C1
DONE
4KB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Oh S 9 7 6 1.441 110.162 62.18 -0.6700
13 H6O Ho E 12 9 7 0.962 108.273 -57.74 0.4160
14 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
15 H4 H1 E 14 7 6 1.091 108.867 -172.31 0.0000
16 C3 Cg 3 14 7 6 1.545 111.117 -51.77 0.2530
17 H3 H1 E 16 14 7 1.091 109.391 173.95 0.0000
18 O3 Oh S 16 14 7 1.452 107.992 -68.85 -0.7100
19 H3O Ho E 18 16 14 0.968 107.267 175.38 0.4420
20 C2 Cg B 16 14 7 1.547 111.988 52.75 0.3080
21 H2 H1 E 20 16 14 1.091 108.509 65.85 0.0000
22 O2 Oh S 20 16 14 1.462 109.337 -176.76 -0.7100
23 H2O Ho E 22 20 16 0.965 108.091 178.76 0.4260
24 O4 Os M 14 7 6 1.455 110.952 69.39 -0.4690
LOOP
C2 C1
DONE
4LA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 O2 Oh S 6 4 3 1.440 109.403 -55.56 -0.7240
9 H2O Ho E 8 6 4 0.960 109.415 -61.40 0.4310
10 C3 Cg M 6 4 3 1.541 112.432 -178.15 0.2530
11 H3 H1 E 10 6 4 1.091 109.206 67.02 0.0000
12 O3 Oh S 10 6 4 1.440 110.035 -174.48 -0.7010
13 H3O Ho E 12 10 6 0.960 109.438 -57.69 0.4330
14 C4 Cg M 10 6 4 1.544 111.714 -53.08 0.2040
15 H4 H1 E 14 10 6 1.091 109.766 175.51 0.0000
16 C5 Cg 3 14 10 6 1.544 110.422 54.48 0.2160
17 H5 H1 E 16 14 10 1.092 107.514 62.91 0.0000
18 C6 Cg 3 16 14 10 1.535 114.934 -177.18 0.3080
19 H62 H1 E 18 16 14 1.090 110.251 -53.15 0.0000
20 H61 H1 E 18 16 14 1.091 110.918 67.08 0.0000
21 O6 Oh S 18 16 14 1.434 108.858 -172.60 -0.6840
22 H6O Ho E 21 18 16 0.960 109.466 59.52 0.4180
23 O5 Os E 16 14 10 1.490 109.289 -54.45 -0.5270
24 O4 Os M 14 10 6 1.445 109.785 -64.95 -0.4310
LOOP
O5 C1
DONE
4LB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Oh S 9 7 6 1.437 109.027 63.12 -0.6930
13 H6O Ho E 12 9 7 0.961 107.830 -58.33 0.4190
14 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
15 H4 H1 E 14 7 6 1.091 109.333 -173.92 0.0000
16 C3 Cg 3 14 7 6 1.546 110.517 -53.62 0.2590
17 H3 H1 E 16 14 7 1.092 108.098 -64.81 0.0000
18 O3 Oh S 16 14 7 1.455 109.126 178.29 -0.6940
19 H3O Ho E 18 16 14 0.967 107.449 -176.92 0.4330
20 C2 Cg B 16 14 7 1.547 112.254 55.04 0.3570
21 H2 H1 E 20 16 14 1.092 109.716 67.43 0.0000
22 O2 Oh S 20 16 14 1.459 108.705 -173.71 -0.7260
23 H2O Ho E 22 20 16 0.965 107.724 175.67 0.4320
24 O4 Os M 14 7 6 1.449 109.628 67.34 -0.4210
LOOP
C2 C1
DONE
4MA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 O2 Oh S 6 4 3 1.459 110.007 79.71 -0.7170
9 H2O Ho E 8 6 4 0.965 108.621 167.29 0.4460
10 C3 Cg M 6 4 3 1.545 110.571 -158.93 0.2520
11 H3 H1 E 10 6 4 1.092 108.528 64.93 0.0000
12 O3 Oh S 10 6 4 1.461 109.595 -177.93 -0.6960
13 H3O Ho E 12 10 6 0.964 109.699 -74.81 0.4310
14 C4 Cg M 10 6 4 1.549 111.609 -54.79 0.3260
15 H4 H1 E 14 10 6 1.091 109.865 -64.38 0.0000
16 C5 Cg 3 14 10 6 1.546 110.605 57.15 0.2760
17 H5 H1 E 16 14 10 1.092 108.214 65.71 0.0000
18 C6 Cg 3 16 14 10 1.544 112.153 -174.59 0.2660
19 H62 H1 E 18 16 14 1.090 110.579 -46.84 0.0000
20 H61 H1 E 18 16 14 1.091 110.051 72.33 0.0000
21 O6 Oh S 18 16 14 1.444 110.952 -166.67 -0.6880
22 H6O Ho E 21 18 16 0.960 109.923 72.72 0.4220
23 O5 Os E 16 14 10 1.497 110.394 -52.31 -0.5070
24 O4 Os M 14 10 6 1.452 108.734 176.59 -0.4890
LOOP
O5 C1
DONE
4MB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Oh S 9 7 6 1.439 109.850 57.44 -0.6800
13 H6O Ho E 12 9 7 0.962 108.414 -55.86 0.4190
14 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
15 H4 H1 E 14 7 6 1.091 109.789 70.94 0.0000
16 C3 Cg 3 14 7 6 1.553 110.419 -50.51 0.2630
17 H3 H1 E 16 14 7 1.092 108.588 -60.79 0.0000
18 O3 Oh S 16 14 7 1.457 111.995 -178.50 -0.6920
19 H3O Ho E 18 16 14 0.962 109.624 81.59 0.4300
20 C2 Cg B 16 14 7 1.547 110.623 57.43 0.2410
21 H2 H1 E 20 16 14 1.091 110.076 180.00 0.0000
22 O2 Oh S 20 16 14 1.459 110.769 59.28 -0.6640
23 H2O Ho E 22 20 16 0.964 107.524 -173.81 0.4310
24 O4 Os M 14 7 6 1.452 108.352 -170.58 -0.4970
LOOP
C2 C1
DONE
4NA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 O2 Oh S 6 4 3 1.439 110.664 -54.19 -0.6680
9 H2O Ho E 8 6 4 0.960 109.386 -64.68 0.4150
10 C3 Cg M 6 4 3 1.541 114.996 179.46 0.3300
11 H3 H1 E 10 6 4 1.091 109.966 -173.17 0.0000
12 O3 Oh S 10 6 4 1.445 109.604 67.22 -0.7140
13 H3O Ho E 12 10 6 0.960 109.446 176.58 0.4410
14 C4 Cg M 10 6 4 1.543 108.602 -52.73 0.1670
15 H4 H1 E 14 10 6 1.091 108.011 -66.83 0.0000
16 C5 Cg 3 14 10 6 1.545 113.659 53.52 0.4040
17 H5 H1 E 16 14 10 1.092 109.059 65.09 0.0000
18 C6 Cg 3 16 14 10 1.535 113.747 -172.97 0.2800
19 H62 H1 E 18 16 14 1.090 110.540 -56.41 0.0000
20 H61 H1 E 18 16 14 1.091 110.668 63.75 0.0000
21 O6 Oh S 18 16 14 1.434 109.011 -175.88 -0.6630
22 H6O Ho E 21 18 16 0.960 109.493 59.88 0.3960
23 O5 Os E 16 14 10 1.489 108.589 -53.11 -0.6110
24 O4 Os M 14 10 6 1.439 109.206 176.30 -0.4830
LOOP
O5 C1
DONE
4NB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Oh S 9 7 6 1.438 109.178 57.79 -0.6890
13 H6O Ho E 12 9 7 0.962 107.694 -47.58 0.4180
14 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
15 H4 H1 E 14 7 6 1.091 108.641 63.49 0.0000
16 C3 Cg 3 14 7 6 1.546 111.303 -56.16 0.2340
17 H3 H1 E 16 14 7 1.092 109.685 177.82 0.0000
18 O3 Oh S 16 14 7 1.458 109.719 -63.09 -0.6150
19 H3O Ho E 18 16 14 0.967 107.516 169.04 0.3890
20 C2 Cg B 16 14 7 1.544 109.920 57.50 0.3010
21 H2 H1 E 20 16 14 1.093 108.226 64.66 0.0000
22 O2 Oh S 20 16 14 1.458 109.185 -178.16 -0.7030
23 H2O Ho E 22 20 16 0.966 108.382 -178.62 0.4240
24 O4 Os M 14 7 6 1.447 110.674 -178.31 -0.4710
LOOP
C2 C1
DONE
4OA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.395 99.023 -130.46 0.3050
5 H1 H2 E 4 3 2 1.090 24.072 100.29 0.0000
6 C2 Cg M 4 3 2 1.563 111.265 10.63 0.4130
7 H2 H1 E 6 4 3 1.091 108.988 73.46 0.0000
8 O2 Oh S 6 4 3 1.464 109.237 -44.39 -0.7710
9 H2O Ho E 8 6 4 0.966 105.614 -34.97 0.4310
10 C3 Cg M 6 4 3 1.548 110.939 -166.09 0.2510
11 H3 H1 E 10 6 4 1.092 108.206 62.18 0.0000
12 O3 Oh S 10 6 4 1.460 111.666 179.27 -0.7250
13 H3O Ho E 12 10 6 0.964 107.278 -33.23 0.4160
14 C4 Cg M 10 6 4 1.551 110.284 -55.76 0.2670
15 H4 H1 E 14 10 6 1.091 109.469 -178.62 0.0000
16 C5 Cg 3 14 10 6 1.540 109.735 61.11 0.0540
17 H5 H1 E 16 14 10 1.092 108.800 60.69 0.0000
18 C6 C B 16 14 10 1.566 106.527 176.50 0.8960
19 O6A O2 E 18 16 14 1.252 116.529 -102.85 -0.8220
20 O6B O2 E 18 16 14 1.255 117.285 72.11 -0.8220
21 O5 Os E 16 14 10 1.515 109.060 -56.67 -0.4240
22 O4 Os M 14 10 6 1.455 111.597 -58.02 -0.4690
LOOP
O5 C1
DONE
4OB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.376 98.399 -136.27 0.3010
5 H1 H2 E 4 3 2 1.091 69.069 -92.25 0.0000
6 O5 Os M 4 3 2 1.462 130.396 170.60 -0.4140
7 C5 Cg M 6 4 3 1.506 116.408 147.12 0.0490
8 H5 H1 E 7 6 4 1.092 106.456 -59.37 0.0000
9 C6 C B 7 6 4 1.574 118.473 -176.63 0.8380
10 O6B O2 E 9 7 6 1.256 116.247 -176.00 -0.7940
11 O6A O2 E 9 7 6 1.254 118.706 9.49 -0.7940
12 C4 Cg M 7 6 4 1.538 109.239 56.00 0.2600
13 H4 H1 E 12 7 6 1.091 109.884 -175.27 0.0000
14 C3 Cg 3 12 7 6 1.548 110.856 -55.41 0.2590
15 H3 H1 E 14 12 7 1.092 108.063 -63.15 0.0000
16 O3 Oh S 14 12 7 1.466 108.667 -179.51 -0.7080
17 H3O Ho E 16 14 12 0.961 109.065 79.16 0.4040
18 C2 Cg B 14 12 7 1.553 111.733 55.81 0.3830
19 H2 H1 E 18 14 12 1.091 109.497 69.57 0.0000
20 O2 Oh S 18 14 12 1.460 110.302 -170.66 -0.7320
21 H2O Ho E 20 18 14 0.962 106.473 175.50 0.4010
22 O4 Os M 12 7 6 1.450 109.662 65.53 -0.4530
LOOP
C2 C1
DONE
4PA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 25.577 79.066 -133.43 0.4170
5 C1 Cg 3 4 3 2 1.541 26.010 100.53 0.3270
6 H12 H1 E 5 4 3 1.091 110.581 1.25 0.0000
7 H11 H1 E 5 4 3 1.091 110.426 120.84 0.0000
8 O1 Oh S 5 4 3 1.436 110.176 -119.10 -0.6440
9 H1O Ho E 8 5 4 0.960 109.427 60.11 0.3930
10 C3 Cg M 4 3 2 1.558 99.850 -27.83 0.1500
11 H3 H1 E 10 4 3 1.091 107.175 74.35 0.0000
12 O3 Oh S 10 4 3 1.441 111.232 -41.58 -0.6650
13 H3O Ho E 12 10 4 0.960 109.411 -63.14 0.4090
14 C4 Cg M 10 4 3 1.543 115.259 -167.84 0.3940
15 H4 H1 E 14 10 4 1.091 110.047 -172.55 0.0000
16 C5 Cg 3 14 10 4 1.541 108.511 -52.13 0.1530
17 H5 H1 E 16 14 10 1.091 108.437 -65.69 0.0000
18 C6 Cg 3 16 14 10 1.536 113.177 54.52 0.3930
19 H6E H1 E 18 16 14 1.090 110.388 -174.85 0.0000
20 H6A H1 E 18 16 14 1.091 110.767 65.28 0.0000
21 O6 Os E 18 16 14 1.482 109.077 -55.00 -0.5980
22 O5 Oh S 16 14 10 1.437 110.081 176.63 -0.6930
23 H5O Ho E 22 16 14 0.960 109.495 56.94 0.4280
24 O4 Os M 14 10 4 1.445 109.700 67.72 -0.4640
LOOP
O6 C2
DONE
4PB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.410 98.300 -136.21 0.4070
5 C1 Cg 3 4 3 2 1.572 62.826 -96.98 0.3790
6 H12 H1 E 5 4 3 1.091 110.003 43.55 0.0000
7 H11 H1 E 5 4 3 1.088 110.382 162.11 0.0000
8 O1 Oh S 5 4 3 1.452 112.720 -77.60 -0.7200
9 H1O Ho E 8 5 4 0.961 109.403 -178.93 0.4100
10 O6 Os M 4 3 2 1.479 135.293 168.58 -0.5400
11 C6 Cg M 10 4 3 1.483 117.190 146.77 0.3640
12 H6E H1 E 11 10 4 1.090 109.004 179.12 0.0000
13 H6A H1 E 11 10 4 1.091 109.618 -62.69 0.0000
14 C5 Cg M 11 10 4 1.540 108.996 58.93 0.1880
15 H5 H1 E 14 11 10 1.091 108.080 63.62 0.0000
16 O5 Oh S 14 11 10 1.454 110.659 -178.62 -0.7050
17 H5O Ho E 16 14 11 0.967 108.400 85.69 0.4330
18 C4 Cg M 14 11 10 1.546 111.137 -55.37 0.3280
19 H4 H1 E 18 14 11 1.091 109.097 173.70 0.0000
20 C3 Cg B 18 14 11 1.548 111.648 53.12 0.1800
21 H3 H1 E 20 18 14 1.092 106.115 68.15 0.0000
22 O3 Oh S 20 18 14 1.462 110.163 -176.47 -0.6810
23 H3O Ho E 22 20 18 0.967 108.335 -167.48 0.4220
24 O4 Os M 18 14 11 1.453 109.563 -68.11 -0.4650
LOOP
C3 C2
DONE
4PD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240
5 C1 Cg 3 4 3 2 1.533 28.030 -160.44 0.2860
6 H12 H1 E 5 4 3 1.091 110.436 100.46 0.0000
7 H11 H1 E 5 4 3 1.091 110.553 -139.51 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 -19.62 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 179.30 0.4190
10 C3 Cg M 4 3 2 1.632 94.644 -17.33 0.3340
11 H3 H1 E 10 4 3 1.090 107.716 7.04 0.0000
12 O3 Oh S 10 4 3 1.441 114.290 -111.78 -0.6610
13 H3O Ho E 12 10 4 0.960 109.502 178.91 0.4150
14 C4 Cg M 10 4 3 1.629 107.129 121.35 0.2820
15 H4 H1 E 14 10 4 1.091 111.828 -141.87 0.0000
16 C5 Cg 3 14 10 4 1.626 106.867 -18.01 0.1940
17 H5 H1 E 16 14 10 1.092 111.109 129.12 0.0000
18 C6 Cg 3 16 14 10 1.529 112.801 -107.47 0.2910
19 H62 H1 E 18 16 14 1.091 110.695 60.83 0.0000
20 H61 H1 E 18 16 14 1.090 110.281 -59.44 0.0000
21 O6 Oh S 18 16 14 1.433 108.604 -178.96 -0.6950
22 H6O Ho E 21 18 16 0.960 109.454 59.02 0.4110
23 O5 Os E 16 14 10 1.580 105.532 10.85 -0.4530
24 O4 Os M 14 10 4 1.437 109.593 96.29 -0.4560
LOOP
O5 C2
DONE
4PU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880
5 C1 Cg 3 4 3 2 1.541 66.606 -151.42 0.3650
6 H12 H1 E 5 4 3 1.091 110.660 23.30 0.0000
7 H11 H1 E 5 4 3 1.090 109.918 142.71 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 -97.59 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 179.45 0.4180
10 O5 Os M 4 3 2 1.576 153.289 123.56 -0.4800
11 C5 Cg M 10 4 3 1.576 112.884 -156.65 0.3690
12 H5 H1 E 11 10 4 1.092 109.275 -128.49 0.0000
13 C6 Cg 3 11 10 4 1.529 108.414 112.31 0.2150
14 H62 H1 E 13 11 10 1.091 110.659 -56.54 0.0000
15 H61 H1 E 13 11 10 1.090 110.301 -176.80 0.0000
16 O6 Oh S 13 11 10 1.433 108.649 63.62 -0.6780
17 H6O Ho E 16 13 11 0.960 109.500 58.51 0.4210
18 C4 Cg M 11 10 4 1.623 105.494 -8.76 0.1920
19 H4 H1 E 18 11 10 1.091 112.074 133.66 0.0000
20 C3 Cg B 18 11 10 1.631 107.338 11.41 0.3340
21 H3 H1 E 20 18 11 1.091 107.070 107.51 0.0000
22 O3 Oh S 20 18 11 1.441 112.809 -134.73 -0.7140
23 H3O Ho E 22 20 18 0.960 109.493 -55.92 0.4240
24 O4 Os M 18 11 10 1.438 106.122 -107.17 -0.4670
LOOP
C3 C2
DONE
4QA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.541 98.563 -135.84 0.4650
5 H1 H1 E 4 3 2 1.090 143.841 166.97 0.0000
6 C2 Cg M 4 3 2 1.556 100.905 19.24 0.2810
7 H2 H1 E 6 4 3 1.091 107.701 -146.56 0.0000
8 O2 Oh S 6 4 3 1.464 109.956 96.40 -0.6950
9 H2O Ho E 8 6 4 0.963 109.360 -58.41 0.4220
10 C3 Cg M 6 4 3 1.550 110.755 -28.22 0.3120
11 H3 H1 E 10 6 4 1.092 109.248 69.54 0.0000
12 O3 Oh S 10 6 4 1.451 110.060 -171.22 -0.6970
13 H3O Ho E 12 10 6 0.963 107.525 178.74 0.4240
14 C4 Cg M 10 6 4 1.550 112.115 -52.01 0.2080
15 H4 H1 E 14 10 6 1.092 109.113 -67.92 0.0000
16 C5 Cg 3 14 10 6 1.546 111.848 52.85 0.2340
17 H5 H1 E 16 14 10 1.092 108.966 67.39 0.0000
18 C6 Cg 3 16 14 10 1.531 114.081 -171.50 0.0600
19 H63 Hc E 18 16 14 1.091 111.703 58.97 0.0000
20 H62 Hc E 18 16 14 1.091 111.508 -61.39 0.0000
21 H61 Hc E 18 16 14 1.091 111.279 179.14 0.0000
22 O5 Os E 16 14 10 1.487 110.112 -51.22 -0.5590
23 O4 Os M 14 10 6 1.456 109.169 173.44 -0.4550
LOOP
O5 C1
DONE
4QB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.690 -136.00 0.3910
5 H1 H1 E 4 3 2 1.091 73.758 -94.90 0.0000
6 O5 Os M 4 3 2 1.461 131.794 163.13 -0.5350
7 C5 Cg M 6 4 3 1.486 115.375 148.89 0.2710
8 H5 H1 E 7 6 4 1.092 108.323 -60.93 0.0000
9 C6 Cg 3 7 6 4 1.530 107.192 -177.83 0.0480
10 H63 Hc E 9 7 6 1.091 111.710 -62.84 0.0000
11 H62 Hc E 9 7 6 1.091 111.509 176.79 0.0000
12 H61 Hc E 9 7 6 1.091 111.262 57.32 0.0000
13 C4 Cg M 7 6 4 1.548 109.336 58.05 0.2500
14 H4 H1 E 13 7 6 1.092 109.232 68.58 0.0000
15 C3 Cg 3 13 7 6 1.549 111.410 -52.29 0.3000
16 H3 H1 E 15 13 7 1.092 108.988 -68.86 0.0000
17 O3 Oh S 15 13 7 1.454 108.773 173.08 -0.6890
18 H3O Ho E 17 15 13 0.966 107.391 -175.24 0.4200
19 C2 Cg B 15 13 7 1.546 112.577 52.00 0.3230
20 H2 H1 E 19 15 13 1.092 109.469 68.14 0.0000
21 O2 Oh S 19 15 13 1.460 109.130 -172.95 -0.7130
22 H2O Ho E 21 19 15 0.966 107.987 174.66 0.4200
23 O4 Os M 13 7 6 1.451 108.892 -172.72 -0.4860
LOOP
C2 C1
DONE
4RA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.589 79.139 -133.47 0.4880
5 H1 H2 E 4 3 2 1.090 27.374 95.92 0.0000
6 C2 Cg M 4 3 2 1.547 95.699 -25.09 0.2530
7 H2 H1 E 6 4 3 1.091 106.529 74.90 0.0000
8 O2 Oh S 6 4 3 1.439 110.676 -40.46 -0.7110
9 H2O Ho E 8 6 4 0.960 109.367 -64.82 0.4190
10 C3 Cg M 6 4 3 1.542 115.155 -166.91 0.3450
11 H3 H1 E 10 6 4 1.091 110.101 -172.87 0.0000
12 O3 Oh S 10 6 4 1.445 109.646 67.35 -0.7370
13 H3O Ho E 12 10 6 0.960 109.441 178.00 0.4430
14 C4 Cg M 10 6 4 1.542 108.334 -52.41 0.1220
15 H4 H1 E 14 10 6 1.091 108.377 -66.41 0.0000
16 C5 Cg 3 14 10 6 1.537 113.340 53.79 0.3770
17 H5E H1 E 16 14 10 1.090 110.366 -174.24 0.0000
18 H5A H1 E 16 14 10 1.091 110.701 65.98 0.0000
19 O5 Os E 16 14 10 1.483 109.246 -54.31 -0.5610
20 O4 Os M 14 10 6 1.437 110.093 175.95 -0.4380
LOOP
O5 C1
DONE
4RB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.373 98.520 -136.09 0.4810
5 H1 H2 E 4 3 2 1.090 64.264 -93.14 0.0000
6 O5 Os M 4 3 2 1.470 130.910 172.20 -0.5760
7 C5 Cg M 6 4 3 1.488 115.378 141.01 0.3350
8 H5E H1 E 7 6 4 1.090 108.921 174.98 0.0000
9 H5A H1 E 7 6 4 1.091 109.218 -67.32 0.0000
10 C4 Cg M 7 6 4 1.549 109.926 54.38 0.2360
11 H4 H1 E 10 7 6 1.091 108.456 64.34 0.0000
12 C3 Cg 3 10 7 6 1.548 110.878 -55.20 0.2030
13 H3 H1 E 12 10 7 1.091 109.669 178.81 0.0000
14 O3 Oh S 12 10 7 1.460 108.674 -62.27 -0.6960
15 H3O Ho E 14 12 10 0.965 108.989 -56.44 0.4280
16 C2 Cg B 12 10 7 1.550 108.635 58.91 0.3850
17 H2 H1 E 16 12 10 1.092 108.039 58.75 0.0000
18 O2 Oh S 16 12 10 1.459 111.068 175.70 -0.7320
19 H2O Ho E 18 16 12 0.963 108.588 169.06 0.4140
20 O4 Os M 10 7 6 1.453 110.505 -177.82 -0.4780
LOOP
C2 C1
DONE
4SA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 C5 Cg 3 11 8 4 1.560 113.169 49.81 0.3080
14 H5 H1 E 13 11 8 1.092 108.441 67.41 0.0000
15 C6 Cg 3 13 11 8 1.544 108.513 -50.35 0.2200
16 H6 H1 E 15 13 11 1.090 106.016 -61.45 0.0000
17 C7 Cg 3 15 13 11 1.543 118.917 -178.92 0.1110
18 H7 H1 E 17 15 13 1.091 107.799 66.42 0.0000
19 C8 Cg 3 17 15 13 1.556 112.192 -175.03 0.4920
20 H8 H1 E 19 17 15 1.091 109.991 62.63 0.0000
21 C9 Cg 3 19 17 15 1.552 112.385 -175.84 0.1780
22 H9S H1 E 21 19 17 1.090 110.169 -56.42 0.0000
23 H9R H1 E 21 19 17 1.091 109.920 62.24 0.0000
24 O9 Oh S 21 19 17 1.449 111.722 -176.90 -0.6890
25 H9O Ho E 24 21 19 0.965 107.018 -49.30 0.4080
26 O8 Oh S 19 17 15 1.460 109.072 -56.72 -0.7390
27 H8O Ho E 26 19 17 0.983 110.254 72.72 0.4120
28 O7 Oh S 17 15 13 1.460 110.189 -50.14 -0.7210
29 H7O Ho E 28 17 15 0.977 109.950 68.18 0.4350
30 O6 Oy E 15 13 11 1.441 107.983 55.53 -0.4030
31 N5 Ng B 13 11 8 1.484 111.436 -172.57 -0.6290
32 H5N H E 31 13 11 1.007 117.476 40.91 0.2800
33 C5N C B 31 13 11 1.337 123.580 -145.57 0.6320
34 CME Cg 3 33 31 13 1.541 116.316 -179.71 -0.0030
35 H3M Hc E 34 33 31 1.092 110.905 -29.98 0.0000
36 H2M Hc E 34 33 31 1.091 109.813 -150.00 0.0000
37 H1M Hc E 34 33 31 1.091 109.337 90.47 0.0000
38 O5N O E 33 31 13 1.228 122.141 -0.64 -0.5930
39 O4 Os M 11 8 4 1.451 108.218 172.28 -0.5410
LOOP
O6 C2
DONE
4SB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C7 Cg 3 9 8 4 1.547 109.625 172.11 0.2780
12 H7 H1 E 11 9 8 1.091 107.450 -165.18 0.0000
13 O7 Oh S 11 9 8 1.449 109.778 78.46 -0.6560
14 H7O Ho E 13 11 9 0.974 109.644 69.17 0.3900
15 C8 Cg 3 11 9 8 1.556 114.439 -45.46 0.3670
16 H8 H1 E 15 11 9 1.091 109.577 68.20 0.0000
17 O8 Oh S 15 11 9 1.460 109.033 -50.18 -0.7040
18 H8O Ho E 17 15 11 0.967 107.039 66.84 0.3920
19 C9 Cg 3 15 11 9 1.547 112.389 -170.25 0.2010
20 H9S H1 E 19 15 11 1.090 110.247 -58.95 0.0000
21 H9R H1 E 19 15 11 1.091 110.087 60.19 0.0000
22 O9 Oh S 19 15 11 1.445 110.971 -179.23 -0.6720
23 H9O Ho E 22 19 15 0.965 106.904 -44.06 0.3930
24 C5 Cg M 9 8 4 1.541 109.363 -58.37 0.5230
25 H5 H1 E 24 9 8 1.092 109.167 -66.57 0.0000
26 N5 Ng B 24 9 8 1.475 109.670 173.19 -0.6690
27 H5N H E 26 24 9 1.005 117.089 -78.72 0.2610
28 C5N C B 26 24 9 1.332 123.259 97.44 0.6780
29 O5N O E 28 26 24 1.226 121.725 -3.82 -0.6340
30 CME Cg 3 28 26 24 1.541 116.623 176.07 -0.0050
31 H3M Hc E 30 28 26 1.092 111.130 23.27 0.0000
32 H2M Hc E 30 28 26 1.091 109.294 -97.18 0.0000
33 H1M Hc E 30 28 26 1.091 109.699 143.39 0.0000
34 C4 Cg M 24 9 8 1.555 110.257 52.05 0.2030
35 H4 H1 E 34 24 9 1.092 108.890 66.49 0.0000
36 C3 Cg B 34 24 9 1.538 110.759 -52.78 0.1330
37 H3E Hc E 36 34 24 1.093 109.710 176.81 0.0000
38 H3A Hc E 36 34 24 1.093 108.781 -68.27 0.0000
39 O4 Os M 34 24 9 1.460 112.068 -174.46 -0.5180
LOOP
C3 C2
DONE
4TA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 O2 Oh S 6 4 3 1.440 106.453 57.61 -0.6550
9 H2O Ho E 8 6 4 0.960 109.490 -58.28 0.4360
10 C3 Cg M 6 4 3 1.545 112.024 178.31 0.1240
11 H3 H1 E 10 6 4 1.091 106.708 69.61 0.0000
12 O3 Oh S 10 6 4 1.439 110.774 -174.86 -0.6870
13 H3O Ho E 12 10 6 0.960 109.479 -54.69 0.4420
14 C4 Cg M 10 6 4 1.543 114.910 -48.48 0.4340
15 H4 H1 E 14 10 6 1.091 109.633 172.69 0.0000
16 C5 Cg 3 14 10 6 1.544 109.739 52.34 0.1570
17 H5 H1 E 16 14 10 1.092 107.463 63.77 0.0000
18 C6 Cg 3 16 14 10 1.535 114.896 -176.35 0.3040
19 H62 H1 E 18 16 14 1.090 110.263 -52.86 0.0000
20 H61 H1 E 18 16 14 1.091 110.896 67.37 0.0000
21 O6 Oh S 18 16 14 1.434 108.863 -172.31 -0.6690
22 H6O Ho E 21 18 16 0.960 109.462 59.57 0.4010
23 O5 Os E 16 14 10 1.488 109.541 -53.52 -0.4800
24 O4 Os M 14 10 6 1.443 110.261 -67.82 -0.5080
LOOP
O5 C1
DONE
4TB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Oh S 9 7 6 1.434 108.837 64.00 -0.6660
13 H6O Ho E 12 9 7 0.960 109.430 -59.34 0.4060
14 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
15 H4 H1 E 14 7 6 1.091 109.475 -172.25 0.0000
16 C3 Cg 3 14 7 6 1.547 110.218 -51.66 0.1740
17 H3 H1 E 16 14 7 1.091 106.762 -67.21 0.0000
18 O3 Oh S 16 14 7 1.439 110.707 177.22 -0.6780
19 H3O Ho E 18 16 14 0.960 109.373 -64.34 0.4250
20 C2 Cg B 16 14 7 1.545 114.890 50.96 0.3400
21 H2 H1 E 20 16 14 1.091 109.957 -172.30 0.0000
22 O2 Oh S 20 16 14 1.444 109.766 67.90 -0.6370
23 H2O Ho E 22 20 16 0.960 109.413 -178.32 0.3970
24 O4 Os M 14 7 6 1.443 108.917 69.31 -0.4070
LOOP
C2 C1
DONE
4TV INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.566 98.776 -135.85 0.4700
5 H1 H1 E 4 3 2 1.090 146.791 164.00 0.0000
6 C2 Cg M 4 3 2 1.563 96.446 20.88 0.1910
7 H2 H1 E 6 4 3 1.091 108.990 87.96 0.0000
8 O2 Oh S 6 4 3 1.451 110.808 -154.07 -0.6720
9 H2O Ho E 8 6 4 0.962 109.923 -165.71 0.4250
10 C3 Cg M 6 4 3 1.535 113.371 -33.59 -0.0140
11 H32 Hc E 10 6 4 1.093 108.757 71.70 0.0000
12 H31 Hc E 10 6 4 1.093 110.603 -172.97 0.0000
13 C4 Cg M 10 6 4 1.535 111.168 -49.67 0.3020
14 H4 H1 E 13 10 6 1.091 109.450 -67.40 0.0000
15 C5 Cg 3 13 10 6 1.553 112.112 54.29 0.3010
16 H5 H1 E 15 13 10 1.092 108.905 64.83 0.0000
17 C6 Cg 3 15 13 10 1.530 113.975 -174.02 0.0070
18 H63 Hc E 17 15 13 1.091 111.485 -61.33 0.0000
19 H62 Hc E 17 15 13 1.091 111.681 59.00 0.0000
20 H61 Hc E 17 15 13 1.091 111.306 179.18 0.0000
21 O5 Os E 15 13 10 1.490 110.400 -53.80 -0.5160
22 O4 Os M 13 10 6 1.446 106.980 175.05 -0.4940
LOOP
O5 C1
DONE
4Tv INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 29.383 69.065 -149.02 0.4280
5 H1 H1 E 4 3 2 1.091 126.101 64.42 0.0000
6 O5 Os M 4 3 2 1.478 96.692 -54.47 -0.4960
7 C5 Cg M 6 4 3 1.481 115.346 -169.68 0.2710
8 H5 H1 E 7 6 4 1.092 108.331 -61.04 0.0000
9 C6 Cg 3 7 6 4 1.530 107.109 -178.07 0.0170
10 H63 Hc E 9 7 6 1.091 111.734 -62.25 0.0000
11 H62 Hc E 9 7 6 1.091 111.279 57.96 0.0000
12 H61 Hc E 9 7 6 1.091 111.431 177.43 0.0000
13 C4 Cg M 7 6 4 1.544 108.725 57.81 0.2960
14 H4 H1 E 13 7 6 1.091 109.448 70.86 0.0000
15 C3 Cg 3 13 7 6 1.542 113.120 -51.10 0.0070
16 H32 Hc E 15 13 7 1.093 110.063 -70.43 0.0000
17 H31 Hc E 15 13 7 1.092 110.313 173.67 0.0000
18 C2 Cg B 15 13 7 1.538 111.976 50.24 0.2080
19 H2 H1 E 18 15 13 1.091 109.586 -173.03 0.0000
20 O2 Oh S 18 15 13 1.442 107.633 68.93 -0.6440
21 H2O Ho E 20 18 15 0.960 109.465 59.04 0.4110
22 O4 Os M 13 7 6 1.436 108.510 -170.47 -0.4980
LOOP
C2 C1
DONE
4UA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.490 98.494 -135.80 0.3630
5 H1 H2 E 4 3 2 1.090 133.285 160.45 0.0000
6 C2 Cg M 4 3 2 1.559 106.137 19.27 0.2590
7 H2 H1 E 6 4 3 1.092 108.691 -14.77 0.0000
8 O2 Oh S 6 4 3 1.469 109.784 103.84 -0.6850
9 H2O Ho E 8 6 4 0.960 110.184 68.39 0.3850
10 C3 Cg M 6 4 3 1.555 110.585 -134.12 0.4170
11 H3 H1 E 10 6 4 1.092 108.809 -73.26 0.0000
12 O3 Oh S 10 6 4 1.454 110.391 168.10 -0.7710
13 H3O Ho E 12 10 6 0.966 105.279 -166.24 0.4170
14 C4 Cg M 10 6 4 1.551 113.490 47.73 0.2230
15 H4 H1 E 14 10 6 1.092 108.495 63.78 0.0000
16 C5 Cg 3 14 10 6 1.541 110.331 -54.77 0.2320
17 H5 H1 E 16 14 10 1.091 107.517 172.11 0.0000
18 C6 C B 16 14 10 1.591 111.292 -72.79 0.6970
19 O6A O2 E 18 16 14 1.252 118.306 124.19 -0.7570
20 O6B O2 E 18 16 14 1.255 117.111 -52.87 -0.7570
21 O5 Os E 16 14 10 1.503 106.777 57.99 -0.5150
22 O4 Os M 14 10 6 1.461 110.962 -178.03 -0.5080
LOOP
O5 C1
DONE
4UB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.486 98.866 -136.63 0.2780
5 H1 H2 E 4 3 2 1.090 81.785 -98.80 0.0000
6 O5 Os M 4 3 2 1.478 136.016 152.83 -0.4300
7 C5 Cg M 6 4 3 1.512 117.828 -89.26 0.1940
8 H5 H1 E 7 6 4 1.091 106.542 -169.54 0.0000
9 C6 C B 7 6 4 1.581 117.000 73.30 0.7500
10 O6B O2 E 9 7 6 1.255 117.682 -174.70 -0.7830
11 O6A O2 E 9 7 6 1.252 117.516 3.62 -0.7830
12 C4 Cg M 7 6 4 1.546 108.685 -54.23 0.3080
13 H4 H1 E 12 7 6 1.092 107.557 -65.54 0.0000
14 C3 Cg 3 12 7 6 1.552 112.015 52.87 0.2860
15 H3 H1 E 14 12 7 1.091 109.935 64.98 0.0000
16 O3 Oh S 14 12 7 1.460 108.958 -175.86 -0.7550
17 H3O Ho E 16 14 12 0.968 105.498 -44.40 0.4210
18 C2 Cg B 14 12 7 1.545 109.635 -56.37 0.2890
19 H2 H1 E 18 14 12 1.091 107.746 -60.80 0.0000
20 O2 Oh S 18 14 12 1.455 110.598 -177.09 -0.6800
21 H2O Ho E 20 18 14 0.964 105.470 34.40 0.4220
22 O4 Os M 12 7 6 1.456 111.691 177.10 -0.5170
LOOP
C2 C1
DONE
4VA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.481 98.684 -135.89 0.3890
5 H1 H2 E 4 3 2 1.090 143.995 158.32 0.0000
6 C2 Cg M 4 3 2 1.564 98.936 18.14 0.3990
7 H2 H1 E 6 4 3 1.092 107.476 -151.91 0.0000
8 N2 Ng B 6 4 3 1.483 111.776 89.86 -0.5950
9 H2N H E 8 6 4 1.007 117.335 -84.05 0.2380
10 C2N C B 8 6 4 1.336 122.570 82.01 0.6250
11 CME Cg 3 10 8 6 1.541 116.317 -175.68 0.0320
12 H3M Hc E 11 10 8 1.091 110.069 50.52 0.0000
13 H2M Hc E 11 10 8 1.091 110.181 170.34 0.0000
14 H1M Hc E 11 10 8 1.091 109.644 -69.76 0.0000
15 O2N O E 10 8 6 1.227 121.897 4.65 -0.6050
16 C3 Cg M 6 4 3 1.551 110.856 -34.26 0.1760
17 H3 H1 E 16 6 4 1.091 108.463 65.04 0.0000
18 O3 Oh S 16 6 4 1.462 112.217 -176.56 -0.6780
19 H3O Ho E 18 16 6 0.964 110.475 -57.52 0.4250
20 C4 Cg M 16 6 4 1.547 111.657 -53.80 0.3260
21 H4 H1 E 20 16 6 1.091 109.161 175.84 0.0000
22 C5 Cg 3 20 16 6 1.548 111.081 55.51 0.1120
23 H5 H1 E 22 20 16 1.091 106.814 64.45 0.0000
24 C6 Cg 3 22 20 16 1.543 114.704 -178.15 0.3620
25 H62 H1 E 24 22 20 1.090 110.167 -176.18 0.0000
26 H61 H1 E 24 22 20 1.090 109.608 -57.43 0.0000
27 O6 Oh S 24 22 20 1.435 111.052 62.92 -0.7110
28 H6O Ho E 27 24 22 0.972 106.687 -28.27 0.4240
29 O5 Os E 22 20 16 1.497 110.914 -51.89 -0.4660
30 O4 Os M 20 16 6 1.450 108.917 -66.09 -0.4530
LOOP
O5 C1
DONE
4VB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.423 98.572 -136.34 0.3050
5 H1 H2 E 4 3 2 1.091 71.466 -92.28 0.0000
6 O5 Os M 4 3 2 1.472 131.894 169.48 -0.4080
7 C5 Cg M 6 4 3 1.495 116.111 147.03 0.1360
8 H5 H1 E 7 6 4 1.092 107.966 -63.70 0.0000
9 C6 Cg 3 7 6 4 1.539 109.857 178.62 0.3530
10 H62 H1 E 9 7 6 1.090 110.929 -56.55 0.0000
11 H61 H1 E 9 7 6 1.091 110.331 -176.87 0.0000
12 O6 Oh S 9 7 6 1.436 108.896 63.69 -0.7140
13 H6O Ho E 12 9 7 0.962 107.704 -58.75 0.4270
14 C4 Cg M 7 6 4 1.544 110.300 53.58 0.2530
15 H4 H1 E 14 7 6 1.091 109.265 -173.55 0.0000
16 C3 Cg 3 14 7 6 1.544 111.265 -52.85 0.1520
17 H3 H1 E 16 14 7 1.092 108.104 -62.30 0.0000
18 O3 Oh S 16 14 7 1.462 108.677 -178.29 -0.6650
19 H3O Ho E 18 16 14 0.963 111.335 83.35 0.4150
20 C2 Cg B 16 14 7 1.558 111.369 56.32 0.5440
21 H2 H1 E 20 16 14 1.091 108.714 61.92 0.0000
22 N2 Ng B 20 16 14 1.481 110.595 -177.69 -0.6860
23 H2N H E 22 20 16 1.005 118.080 75.06 0.2540
24 C2N C B 22 20 16 1.336 122.747 -106.72 0.5860
25 O2N O E 24 22 20 1.227 122.402 0.23 -0.5640
26 CME Cg 3 24 22 20 1.543 116.272 179.61 0.0560
27 H3M Hc E 26 24 22 1.092 110.645 35.56 0.0000
28 H2M Hc E 26 24 22 1.091 109.982 155.53 0.0000
29 H1M Hc E 26 24 22 1.091 109.419 -84.79 0.0000
30 O4 Os M 14 7 6 1.445 109.653 67.69 -0.4440
LOOP
C2 C1
DONE
4WA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.550 -135.71 0.4621
5 H1 H2 E 4 3 2 1.090 140.848 159.80 0.0000
6 C2 Cg M 4 3 2 1.554 101.409 17.32 0.2750
7 H2 H1 E 6 4 3 1.092 108.155 87.79 0.0000
8 N2 Ng B 6 4 3 1.482 111.229 -154.80 -0.4751
9 H2N H E 8 6 4 1.007 117.562 110.34 0.2142
10 C2N C B 8 6 4 1.336 123.787 -73.97 0.5909
11 CME Cg 3 10 8 6 1.539 115.681 -177.62 -0.0340
12 H3M Hc E 11 10 8 1.091 109.810 -60.19 0.0000
13 H2M Hc E 11 10 8 1.091 110.252 179.93 0.0000
14 H1M Hc E 11 10 8 1.091 109.868 60.00 0.0000
15 O2N O E 10 8 6 1.229 122.265 3.32 -0.5757
16 C3 Cg M 6 4 3 1.549 109.899 -30.46 0.2520
17 H3 H1 E 16 6 4 1.091 108.295 65.94 0.0000
18 O3 Oh S 16 6 4 1.455 110.348 -176.42 -0.6987
19 H3O Ho E 18 16 6 0.965 109.543 171.31 0.4159
20 C4 Cg M 16 6 4 1.550 112.400 -53.90 0.3213
21 H4 H1 E 20 16 6 1.091 108.333 -69.37 0.0000
22 C5 Cg 3 20 16 6 1.547 112.664 51.61 0.2421
23 H5 H1 E 22 20 16 1.092 107.873 70.23 0.0000
24 C6 Cg 3 22 20 16 1.545 113.564 -171.33 0.2995
25 H62 H1 E 24 22 20 1.090 109.575 173.73 0.0000
26 H61 H1 E 24 22 20 1.090 109.924 -68.06 0.0000
27 O6 Oh S 24 22 20 1.443 112.033 52.74 -0.6618
28 H6O Ho E 27 24 22 0.961 109.813 -82.79 0.3959
29 O5 Os E 22 20 16 1.495 111.317 -46.63 -0.5415
30 O4 Os M 20 16 6 1.458 109.485 172.59 -0.4821
LOOP
O5 C1
DONE
4WB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.516 98.511 -136.43 0.3870
5 H1 H2 E 4 3 2 1.091 72.898 -90.19 0.0000
6 O5 Os M 4 3 2 1.464 129.676 168.95 -0.4980
7 C5 Cg M 6 4 3 1.498 114.507 143.60 0.3210
8 H5 H1 E 7 6 4 1.092 108.050 -62.29 0.0000
9 C6 Cg 3 7 6 4 1.542 108.838 -179.98 0.2470
10 H62 H1 E 9 7 6 1.091 110.098 -62.68 0.0000
11 H61 H1 E 9 7 6 1.090 110.437 177.81 0.0000
12 O6 Oh S 9 7 6 1.442 110.379 57.48 -0.6630
13 H6O Ho E 12 9 7 0.962 108.929 -56.35 0.4130
14 C4 Cg M 7 6 4 1.549 109.860 56.38 0.2770
15 H4 H1 E 14 7 6 1.092 109.334 70.38 0.0000
16 C3 Cg 3 14 7 6 1.551 111.754 -50.66 0.2170
17 H3 H1 E 16 14 7 1.092 108.749 -66.35 0.0000
18 O3 Oh S 16 14 7 1.458 109.433 176.28 -0.6580
19 H3O Ho E 18 16 14 0.972 110.221 -149.04 0.4130
20 C2 Cg B 16 14 7 1.550 112.012 52.70 0.2940
21 H2 H1 E 20 16 14 1.092 107.937 -171.40 0.0000
22 N2 Ng B 20 16 14 1.485 111.811 69.61 -0.5580
23 H2N H E 22 20 16 1.007 117.378 -91.94 0.2650
24 C2N C B 22 20 16 1.337 123.528 90.12 0.5850
25 O2N O E 24 22 20 1.229 121.350 -4.57 -0.6000
26 CME Cg 3 24 22 20 1.544 116.722 177.13 0.0560
27 H3M Hc E 26 24 22 1.092 111.211 -15.23 0.0000
28 H2M Hc E 26 24 22 1.091 109.840 -135.47 0.0000
29 H1M Hc E 26 24 22 1.090 109.199 104.92 0.0000
30 O4 Os M 14 7 6 1.447 108.932 -170.99 -0.4980
LOOP
C2 C1
DONE
4XA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.552 98.376 -135.65 0.4820
5 H1 H2 E 4 3 2 1.090 143.066 154.55 0.0000
6 C2 Cg M 4 3 2 1.552 98.681 14.07 0.1970
7 H2 H1 E 6 4 3 1.091 107.726 -152.01 0.0000
8 O2 Oh S 6 4 3 1.464 111.006 90.26 -0.6560
9 H2O Ho E 8 6 4 0.967 109.241 -39.05 0.4090
10 C3 Cg M 6 4 3 1.543 111.214 -33.26 0.3590
11 H3 H1 E 10 6 4 1.092 109.408 69.19 0.0000
12 O3 Oh S 10 6 4 1.451 108.116 -172.55 -0.7120
13 H3O Ho E 12 10 6 0.966 107.240 -43.40 0.4210
14 C4 Cg M 10 6 4 1.547 112.192 -52.80 0.2470
15 H4 H1 E 14 10 6 1.091 109.623 -66.19 0.0000
16 C5 Cg 3 14 10 6 1.539 110.634 53.97 0.3350
17 H5E H1 E 16 14 10 1.090 109.984 -172.58 0.0000
18 H5A H1 E 16 14 10 1.091 110.140 68.68 0.0000
19 O5 Os E 16 14 10 1.489 111.025 -51.97 -0.5880
20 O4 Os M 14 10 6 1.453 110.240 174.10 -0.4940
LOOP
O5 C1
DONE
4XB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.682 98.802 -135.60 0.2480
5 H1 H2 E 4 3 2 1.091 72.415 -93.43 0.0000
6 O5 Os M 4 3 2 1.466 132.232 166.71 -0.4470
7 C5 Cg M 6 4 3 1.482 115.196 148.40 0.3030
8 H5E H1 E 7 6 4 1.090 109.061 178.41 0.0000
9 H5A H1 E 7 6 4 1.092 109.076 -63.64 0.0000
10 C4 Cg M 7 6 4 1.541 109.795 57.60 0.2860
11 H4 H1 E 10 7 6 1.091 109.061 67.02 0.0000
12 C3 Cg 3 10 7 6 1.546 111.571 -54.26 0.2280
13 H3 H1 E 12 10 7 1.092 109.010 -67.31 0.0000
14 O3 Oh S 12 10 7 1.458 108.945 174.50 -0.6820
15 H3O Ho E 14 12 10 0.967 108.169 -177.96 0.4270
16 C2 Cg B 12 10 7 1.547 111.370 53.00 0.4250
17 H2 H1 E 16 12 10 1.092 109.571 69.62 0.0000
18 O2 Oh S 16 12 10 1.452 108.733 -171.44 -0.6990
19 H2O Ho E 18 16 12 0.965 106.939 170.97 0.3980
20 O4 Os M 10 7 6 1.447 108.470 -174.60 -0.4870
LOOP
C2 C1
DONE
4YA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.519 98.653 -135.65 0.4680
5 H1 H2 E 4 3 2 1.090 141.692 162.29 0.0000
6 C2 Cg M 4 3 2 1.558 103.961 13.89 0.2450
7 H2 H1 E 6 4 3 1.092 106.853 -149.41 0.0000
8 N2 Ng B 6 4 3 1.486 111.224 93.53 -0.5520
9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360
10 C2N C B 8 6 4 1.338 124.714 152.48 0.5880
11 CME Cg 3 10 8 6 1.544 117.110 -175.73 0.0630
12 H3M Hc E 11 10 8 1.092 111.363 2.06 0.0000
13 H2M Hc E 11 10 8 1.091 109.387 122.31 0.0000
14 H1M Hc E 11 10 8 1.090 109.379 -118.32 0.0000
15 O2N O E 10 8 6 1.228 121.379 4.88 -0.5790
16 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650
17 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000
18 O3 Oh S 16 6 4 1.457 109.988 -171.07 -0.6300
19 H3O Ho E 18 16 6 0.977 109.893 -12.80 0.4130
20 C4 Cg M 16 6 4 1.546 112.211 -50.71 0.3220
21 H4 H1 E 20 16 6 1.091 108.977 -70.26 0.0000
22 C5 Cg 3 20 16 6 1.544 112.523 51.74 0.2460
23 H5 H1 E 22 20 16 1.092 108.088 68.11 0.0000
24 C6 Cg 3 22 20 16 1.544 112.817 -173.43 0.3280
25 H62 H1 E 24 22 20 1.090 110.073 -62.63 0.0000
26 H61 H1 E 24 22 20 1.090 109.603 179.01 0.0000
27 O6 Oh S 24 22 20 1.444 111.701 58.39 -0.6880
28 H6O Ho E 27 24 22 0.960 109.460 179.56 0.4210
29 O5 Os E 22 20 16 1.500 111.305 -49.14 -0.5680
30 O4 Os M 20 16 6 1.448 107.905 171.55 -0.4780
LOOP
O5 C1
DONE
4YB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.493 98.498 -136.36 0.2870
5 H1 H2 E 4 3 2 1.091 71.450 -93.59 0.0000
6 O5 Os M 4 3 2 1.468 130.511 167.53 -0.4330
7 C5 Cg M 6 4 3 1.493 115.188 144.42 0.2080
8 H5 H1 E 7 6 4 1.092 108.293 -60.80 0.0000
9 C6 Cg 3 7 6 4 1.540 109.520 -179.10 0.2890
10 H62 H1 E 9 7 6 1.091 110.298 -62.00 0.0000
11 H61 H1 E 9 7 6 1.090 110.526 178.17 0.0000
12 O6 Oh S 9 7 6 1.439 109.712 58.17 -0.6890
13 H6O Ho E 12 9 7 0.961 108.379 -54.80 0.4240
14 C4 Cg M 7 6 4 1.542 108.679 57.57 0.3020
15 H4 H1 E 14 7 6 1.092 109.552 66.23 0.0000
16 C3 Cg 3 14 7 6 1.547 111.743 -55.34 0.1800
17 H3 H1 E 16 14 7 1.092 108.855 -63.61 0.0000
18 O3 Oh S 16 14 7 1.462 108.350 179.31 -0.6810
19 H3O Ho E 18 16 14 0.964 110.728 170.98 0.4230
20 C2 Cg B 16 14 7 1.555 110.847 55.82 0.4800
21 H2 H1 E 20 16 14 1.092 108.016 63.51 0.0000
22 N2 Ng B 20 16 14 1.484 110.897 -176.40 -0.7220
23 H2N H E 22 20 16 1.006 117.592 78.54 0.3000
24 C2N C B 22 20 16 1.336 123.143 -111.93 0.6480
25 O2N O E 24 22 20 1.226 122.116 6.61 -0.5760
26 CME Cg 3 24 22 20 1.542 116.434 -175.43 0.0340
27 H3M Hc E 26 24 22 1.092 110.630 37.74 0.0000
28 H2M Hc E 26 24 22 1.091 110.076 157.79 0.0000
29 H1M Hc E 26 24 22 1.091 109.335 -82.58 0.0000
30 O4 Os M 14 7 6 1.444 108.611 -175.00 -0.4740
LOOP
C2 C1
DONE
4ZA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.420 99.000 -130.34 0.3980
5 H1 H2 E 4 3 2 1.090 21.912 102.13 0.0000
6 C2 Cg M 4 3 2 1.551 109.472 7.93 0.3260
7 H2 H1 E 6 4 3 1.091 107.487 74.75 0.0000
8 O2 Oh S 6 4 3 1.467 110.139 -42.45 -0.7320
9 H2O Ho E 8 6 4 0.965 107.076 -40.93 0.4060
10 C3 Cg M 6 4 3 1.547 112.398 -166.09 0.3000
11 H3 H1 E 10 6 4 1.092 108.680 71.61 0.0000
12 O3 Oh S 10 6 4 1.458 107.208 -171.22 -0.7430
13 H3O Ho E 12 10 6 0.962 107.044 -49.33 0.4390
14 C4 Cg M 10 6 4 1.555 112.948 -49.44 0.1930
15 H4 H1 E 14 10 6 1.091 109.268 -72.54 0.0000
16 C5 Cg 3 14 10 6 1.550 113.190 48.46 0.1870
17 H5 H1 E 16 14 10 1.092 106.693 67.16 0.0000
18 C6 C B 16 14 10 1.597 111.674 -179.86 0.7980
19 O6A O2 E 18 16 14 1.259 117.589 -37.92 -0.7870
20 O6B O2 E 18 16 14 1.252 118.424 145.06 -0.7870
21 O5 Os E 16 14 10 1.515 110.155 -47.11 -0.5440
22 O4 Os M 14 10 6 1.452 109.657 168.36 -0.4540
LOOP
O5 C1
DONE
4ZB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.413 98.374 -136.24 0.2510
5 H1 H2 E 4 3 2 1.091 70.111 -94.11 0.0000
6 O5 Os M 4 3 2 1.460 133.490 168.28 -0.4130
7 C5 Cg M 6 4 3 1.502 116.304 144.38 0.0750
8 H5 H1 E 7 6 4 1.092 106.868 -58.62 0.0000
9 C6 C B 7 6 4 1.584 116.788 -176.23 0.8930
10 O6B O2 E 9 7 6 1.258 117.333 -166.06 -0.8180
11 O6A O2 E 9 7 6 1.252 118.262 15.31 -0.8180
12 C4 Cg M 7 6 4 1.542 108.303 57.48 0.2670
13 H4 H1 E 12 7 6 1.092 108.248 69.44 0.0000
14 C3 Cg 3 12 7 6 1.552 113.280 -51.87 0.2660
15 H3 H1 E 14 12 7 1.092 108.760 -69.98 0.0000
16 O3 Oh S 14 12 7 1.459 107.412 172.72 -0.7010
17 H3O Ho E 16 14 12 0.966 105.666 48.32 0.4030
18 C2 Cg B 14 12 7 1.551 112.291 50.40 0.4110
19 H2 H1 E 18 14 12 1.092 109.200 71.99 0.0000
20 O2 Oh S 18 14 12 1.458 111.055 -168.01 -0.7400
21 H2O Ho E 20 18 14 0.962 106.072 172.93 0.4220
22 O4 Os M 12 7 6 1.449 108.907 -172.84 -0.4980
LOOP
C2 C1
DONE
4aA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.188 125.377 -138.64 0.4480
5 H1 H2 E 4 3 2 1.091 32.906 146.73 0.0000
6 O5 Os M 4 3 2 1.484 133.629 99.38 -0.5640
7 C5 Cg M 6 4 3 1.479 117.874 -165.14 0.3790
8 H5A H1 E 7 6 4 1.091 109.412 64.62 0.0000
9 H5E H1 E 7 6 4 1.090 109.141 -176.99 0.0000
10 C4 Cg M 7 6 4 1.532 108.551 -56.56 0.2450
11 H4 H1 E 10 7 6 1.091 108.287 -64.52 0.0000
12 C3 Cg 3 10 7 6 1.543 112.944 55.64 0.3350
13 H3 H1 E 12 10 7 1.091 109.892 -174.01 0.0000
14 O3 Oh S 12 10 7 1.441 110.011 67.03 -0.7720
15 H3O Ho E 14 12 10 0.960 109.473 179.30 0.4610
16 C2 Cg B 12 10 7 1.543 111.532 -51.47 0.2680
17 H2 H1 E 16 12 10 1.092 109.910 169.41 0.0000
18 O2 Oh S 16 12 10 1.437 107.286 -74.11 -0.7350
19 H2O Ho E 18 16 12 0.960 109.480 -58.08 0.4430
20 O4 Os M 10 7 6 1.437 109.023 178.50 -0.5080
LOOP
C2 C1
DONE
4aB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.197 114.912 -133.16 0.3790
5 H1 H2 E 4 3 2 1.091 60.190 -69.03 0.0000
6 C2 Cg M 4 3 2 1.563 137.254 -156.94 0.3000
7 H2 H1 E 6 4 3 1.091 109.469 14.39 0.0000
8 O2 Oh S 6 4 3 1.460 111.691 -105.49 -0.7000
9 H2O Ho E 8 6 4 0.965 107.206 46.97 0.4180
10 C3 Cg M 6 4 3 1.543 109.402 134.96 0.2970
11 H3 H1 E 10 6 4 1.091 109.527 174.23 0.0000
12 O3 Oh S 10 6 4 1.454 108.942 -67.85 -0.6680
13 H3O Ho E 12 10 6 0.966 107.607 169.51 0.4070
14 C4 Cg M 10 6 4 1.551 111.469 53.21 0.2240
15 H4 H1 E 14 10 6 1.091 108.923 64.26 0.0000
16 C5 Cg 3 14 10 6 1.546 111.087 -54.81 0.3560
17 H5A H1 E 16 14 10 1.091 110.570 -66.53 0.0000
18 H5E H1 E 16 14 10 1.090 109.958 174.33 0.0000
19 O5 Os E 16 14 10 1.485 110.184 54.27 -0.5290
20 O4 Os M 14 10 6 1.458 110.429 -177.71 -0.4840
LOOP
O5 C1
DONE
4bA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.597 116.875 -129.05 0.1300
5 C1 Cg 3 4 3 2 1.560 38.289 130.05 0.4280
6 H11 H1 E 5 4 3 1.090 109.813 -63.29 0.0000
7 H12 H1 E 5 4 3 1.091 110.098 55.13 0.0000
8 O1 Oh S 5 4 3 1.443 112.003 175.62 -0.6780
9 H1O Ho E 8 5 4 0.961 107.457 -73.22 0.3990
10 O6 Os M 4 3 2 1.483 117.931 41.66 -0.5070
11 C6 Cg M 10 4 3 1.491 117.309 -140.69 0.3410
12 H6A H1 E 11 10 4 1.091 108.839 69.58 0.0000
13 H6E H1 E 11 10 4 1.090 108.907 -173.08 0.0000
14 C5 Cg M 11 10 4 1.544 111.103 -51.77 0.2240
15 H5 H1 E 14 11 10 1.091 108.357 -70.02 0.0000
16 O5 Oh S 14 11 10 1.455 108.467 172.51 -0.6900
17 H5O Ho E 16 14 11 0.963 109.307 159.42 0.4290
18 C4 Cg M 14 11 10 1.550 111.673 50.56 0.3350
19 H4 H1 E 18 14 11 1.092 110.207 65.56 0.0000
20 C3 Cg B 18 14 11 1.548 109.394 -55.39 0.3720
21 H3 H1 E 20 18 14 1.092 107.364 -59.65 0.0000
22 O3 Oh S 20 18 14 1.456 111.878 -176.69 -0.7160
23 H3O Ho E 22 20 18 0.964 107.033 43.80 0.4300
24 O4 Os M 18 14 11 1.461 109.228 -175.33 -0.4970
LOOP
C3 C2
DONE
4bB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.272 115.141 -133.35 0.2270
5 C1 Cg 3 4 3 2 1.563 58.191 -68.63 0.2810
6 H11 H1 E 5 4 3 1.090 110.121 173.79 0.0000
7 H12 H1 E 5 4 3 1.091 110.325 -67.50 0.0000
8 O1 Oh S 5 4 3 1.444 111.743 53.37 -0.6260
9 H1O Ho E 8 5 4 0.960 109.452 -179.75 0.3950
10 C3 Cg M 4 3 2 1.564 137.751 -159.39 0.4640
11 H3 H1 E 10 4 3 1.092 108.642 -99.82 0.0000
12 O3 Oh S 10 4 3 1.453 110.350 18.53 -0.7300
13 H3O Ho E 12 10 4 0.965 106.403 -56.73 0.4320
14 C4 Cg M 10 4 3 1.550 112.585 140.12 0.1080
15 H4 H1 E 14 10 4 1.092 109.044 -68.01 0.0000
16 C5 Cg 3 14 10 4 1.545 110.670 52.19 0.3400
17 H5 H1 E 16 14 10 1.091 109.543 69.26 0.0000
18 C6 Cg 3 16 14 10 1.543 112.662 -52.18 0.3110
19 H6A H1 E 18 16 14 1.091 110.545 -68.04 0.0000
20 H6E H1 E 18 16 14 1.090 110.160 172.58 0.0000
21 O6 Os E 18 16 14 1.485 109.751 52.43 -0.4770
22 O5 Oh S 16 14 10 1.444 107.942 -172.32 -0.7200
23 H5O Ho E 22 16 14 0.966 106.322 -48.08 0.4290
24 O4 Os M 14 10 4 1.460 110.433 173.08 -0.4340
LOOP
O6 C2
DONE
4bD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410
5 C1 Cg 3 4 3 2 1.546 22.070 -155.25 0.3130
6 H11 H1 E 5 4 3 1.091 109.856 0.87 0.0000
7 H12 H1 E 5 4 3 1.090 110.325 119.99 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -119.49 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 163.85 0.4140
10 O5 Os M 4 3 2 1.565 96.957 71.60 -0.4520
11 C5 Cg M 10 4 3 1.587 113.494 153.37 0.2710
12 H5 H1 E 11 10 4 1.091 109.010 115.27 0.0000
13 C6 Cg 3 11 10 4 1.543 109.502 -125.08 0.2810
14 H61 H1 E 13 11 10 1.090 110.249 169.67 0.0000
15 H62 H1 E 13 11 10 1.091 109.980 50.42 0.0000
16 O6 Oh S 13 11 10 1.443 110.886 -70.57 -0.6790
17 H6O Ho E 16 13 11 0.959 110.164 -69.40 0.4110
18 C4 Cg M 11 10 4 1.626 104.732 -0.82 0.2250
19 H4 H1 E 18 11 10 1.091 107.421 106.22 0.0000
20 C3 Cg B 18 11 10 1.636 107.413 -10.45 0.4400
21 H3 H1 E 20 18 11 1.090 107.628 -98.64 0.0000
22 O3 Oh S 20 18 11 1.453 110.696 144.44 -0.7320
23 H3O Ho E 22 20 18 0.959 109.052 117.13 0.4040
24 O4 Os M 18 11 10 1.457 113.168 -134.63 -0.4690
LOOP
C3 C2
DONE
4bU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470
5 C1 Cg 3 4 3 2 1.553 43.383 -64.68 0.2990
6 H11 H1 E 5 4 3 1.091 109.538 173.60 0.0000
7 H12 H1 E 5 4 3 1.091 110.361 -67.58 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 53.50 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 172.60 0.3820
10 C3 Cg M 4 3 2 1.635 135.193 -142.32 0.3820
11 H3 H1 E 10 4 3 1.091 108.980 -85.98 0.0000
12 O3 Oh S 10 4 3 1.455 113.678 34.22 -0.7420
13 H3O Ho E 12 10 4 0.963 108.479 -78.45 0.4260
14 C4 Cg M 10 4 3 1.637 107.249 157.15 0.2830
15 H4 H1 E 14 10 4 1.091 108.865 -102.82 0.0000
16 C5 Cg 3 14 10 4 1.624 107.577 13.45 0.2100
17 H5 H1 E 16 14 10 1.091 108.969 -127.62 0.0000
18 C6 Cg 3 16 14 10 1.541 114.994 109.54 0.3320
19 H61 H1 E 18 16 14 1.090 109.861 59.82 0.0000
20 H62 H1 E 18 16 14 1.090 110.302 -59.54 0.0000
21 O6 Oh S 18 16 14 1.442 110.695 179.56 -0.7010
22 H6O Ho E 21 18 16 0.959 110.169 -52.94 0.4090
23 O5 Os E 16 14 10 1.582 104.801 -11.31 -0.3850
24 O4 Os M 14 10 4 1.453 111.864 137.73 -0.5150
LOOP
O5 C2
DONE
4cA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.586 116.969 -129.11 0.3450
5 C1 Cg 3 4 3 2 1.567 44.165 126.75 0.3860
6 H11 H1 E 5 4 3 1.091 110.132 -50.25 0.0000
7 H12 H1 E 5 4 3 1.091 109.446 67.92 0.0000
8 O1 Oh S 5 4 3 1.446 112.801 -171.35 -0.6960
9 H1O Ho E 8 5 4 0.968 106.626 -39.29 0.4020
10 O6 Os M 4 3 2 1.483 117.808 35.58 -0.6200
11 C6 Cg M 10 4 3 1.483 118.572 -140.03 0.4370
12 H6A H1 E 11 10 4 1.091 109.541 67.42 0.0000
13 H6E H1 E 11 10 4 1.090 108.752 -174.83 0.0000
14 C5 Cg M 11 10 4 1.538 109.646 -54.60 0.1950
15 H5 H1 E 14 11 10 1.091 108.701 -59.59 0.0000
16 O5 Oh S 14 11 10 1.462 111.474 -178.00 -0.7090
17 H5O Ho E 16 14 11 0.964 110.741 83.12 0.4150
18 C4 Cg M 14 11 10 1.544 109.577 58.96 0.3670
19 H4 H1 E 18 14 11 1.091 108.427 -177.56 0.0000
20 C3 Cg B 18 14 11 1.551 112.343 -57.29 0.2470
21 H3 H1 E 20 18 14 1.092 108.943 168.11 0.0000
22 O3 Oh S 20 18 14 1.466 107.388 -76.78 -0.6550
23 H3O Ho E 22 20 18 0.965 109.737 -75.75 0.4060
24 O4 Os M 18 14 11 1.450 110.035 65.74 -0.5200
LOOP
C3 C2
DONE
4cB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.348 115.227 -133.37 0.2440
5 C1 Cg 3 4 3 2 1.563 56.302 -67.37 0.2970
6 H11 H1 E 5 4 3 1.088 110.800 167.68 0.0000
7 H12 H1 E 5 4 3 1.091 110.065 -73.30 0.0000
8 O1 Oh S 5 4 3 1.447 111.733 47.62 -0.6690
9 H1O Ho E 8 5 4 0.961 109.456 178.60 0.4010
10 C3 Cg M 4 3 2 1.569 136.938 -155.77 0.3170
11 H3 H1 E 10 4 3 1.091 109.321 19.65 0.0000
12 O3 Oh S 10 4 3 1.453 110.172 -98.32 -0.6970
13 H3O Ho E 12 10 4 0.968 105.774 30.26 0.4070
14 C4 Cg M 10 4 3 1.551 113.143 142.19 0.3440
15 H4 H1 E 14 10 4 1.091 109.341 168.38 0.0000
16 C5 Cg 3 14 10 4 1.549 111.995 47.93 0.1950
17 H5 H1 E 16 14 10 1.091 108.324 67.05 0.0000
18 C6 Cg 3 16 14 10 1.539 112.024 -51.70 0.3650
19 H6A H1 E 18 16 14 1.091 110.698 -66.37 0.0000
20 H6E H1 E 18 16 14 1.090 110.083 174.22 0.0000
21 O6 Os E 18 16 14 1.482 109.460 54.46 -0.4600
22 O5 Oh S 16 14 10 1.457 110.756 -175.28 -0.6840
23 H5O Ho E 22 16 14 0.965 109.084 44.29 0.4150
24 O4 Os M 14 10 4 1.459 109.536 -74.38 -0.4750
LOOP
O6 C2
DONE
4cD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840
5 C1 Cg 3 4 3 2 1.556 17.540 -147.50 0.3700
6 H11 H1 E 5 4 3 1.091 110.210 18.90 0.0000
7 H12 H1 E 5 4 3 1.091 109.651 137.75 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -102.08 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 -49.38 0.4140
10 O5 Os M 4 3 2 1.564 97.899 67.10 -0.4980
11 C5 Cg M 10 4 3 1.584 113.350 147.62 0.3090
12 H5 H1 E 11 10 4 1.092 109.375 118.93 0.0000
13 C6 Cg 3 11 10 4 1.538 110.489 -119.98 0.2650
14 H61 H1 E 13 11 10 1.090 109.956 165.98 0.0000
15 H62 H1 E 13 11 10 1.091 109.952 47.12 0.0000
16 O6 Oh S 13 11 10 1.442 111.246 -74.00 -0.6640
17 H6O Ho E 16 13 11 0.960 110.855 -67.48 0.4120
18 C4 Cg M 11 10 4 1.621 104.926 0.33 0.3320
19 H4 H1 E 18 11 10 1.091 111.196 -131.00 0.0000
20 C3 Cg B 18 11 10 1.638 107.987 -8.85 0.2820
21 H3 H1 E 20 18 11 1.091 111.251 134.95 0.0000
22 O3 Oh S 20 18 11 1.460 108.216 -106.61 -0.7160
23 H3O Ho E 22 20 18 0.965 109.355 -77.40 0.4320
24 O4 Os M 18 11 10 1.453 109.530 109.63 -0.5340
LOOP
C3 C2
DONE
4cU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390
5 C1 Cg 3 4 3 2 1.537 53.448 -6.93 0.2870
6 H11 H1 E 5 4 3 1.091 109.952 -154.15 0.0000
7 H12 H1 E 5 4 3 1.091 110.638 -34.86 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 86.15 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 179.97 0.4010
10 C3 Cg M 4 3 2 1.636 113.047 -107.26 0.3330
11 H3 H1 E 10 4 3 1.091 111.948 41.20 0.0000
12 O3 Oh S 10 4 3 1.439 111.311 -80.89 -0.6910
13 H3O Ho E 12 10 4 0.960 109.418 61.51 0.4100
14 C4 Cg M 10 4 3 1.624 107.103 164.76 0.2930
15 H4 H1 E 14 10 4 1.092 112.868 136.79 0.0000
16 C5 Cg 3 14 10 4 1.622 107.882 12.29 0.3100
17 H5 H1 E 16 14 10 1.092 110.981 -127.12 0.0000
18 C6 Cg 3 16 14 10 1.529 112.711 109.36 0.2720
19 H61 H1 E 18 16 14 1.090 110.315 59.90 0.0000
20 H62 H1 E 18 16 14 1.091 110.618 -60.32 0.0000
21 O6 Oh S 18 16 14 1.433 108.667 179.51 -0.6520
22 H6O Ho E 21 18 16 0.960 109.494 -59.32 0.3970
23 O5 Os E 16 14 10 1.577 105.503 -8.77 -0.4490
24 O4 Os M 14 10 4 1.434 107.032 -103.41 -0.5260
LOOP
O5 C2
DONE
4dA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.386 115.065 -132.97 0.3980
5 H1 H2 E 4 3 2 1.090 122.721 39.39 0.0000
6 O5 Os M 4 3 2 1.470 69.754 -59.92 -0.4870
7 C5 Cg M 6 4 3 1.490 117.560 -72.03 0.2750
8 H5A H1 E 7 6 4 1.092 108.478 71.52 0.0000
9 H5E H1 E 7 6 4 1.090 108.927 -171.44 0.0000
10 C4 Cg M 7 6 4 1.543 111.684 -49.69 0.3510
11 H4 H1 E 10 7 6 1.091 109.854 -69.03 0.0000
12 C3 Cg 3 10 7 6 1.545 110.247 52.70 0.1840
13 H3 H1 E 12 10 7 1.091 108.583 60.91 0.0000
14 O3 Oh S 12 10 7 1.459 110.859 178.21 -0.6550
15 H3O Ho E 14 12 10 0.962 110.146 169.76 0.4170
16 C2 Cg B 12 10 7 1.549 111.008 -57.45 0.2460
17 H2 H1 E 16 12 10 1.091 109.256 175.96 0.0000
18 O2 Oh S 16 12 10 1.458 110.247 -65.62 -0.6780
19 H2O Ho E 18 16 12 0.962 110.757 -168.88 0.4320
20 O4 Os M 10 7 6 1.447 108.472 171.92 -0.4830
LOOP
C2 C1
DONE
4dB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.553 116.316 -128.93 0.4480
5 H1 H2 E 4 3 2 1.091 113.723 25.37 0.0000
6 C2 Cg M 4 3 2 1.543 134.009 -175.87 0.2260
7 H2 H1 E 6 4 3 1.091 110.247 141.57 0.0000
8 O2 Oh S 6 4 3 1.446 108.761 21.88 -0.6450
9 H2O Ho E 8 6 4 0.960 109.425 59.50 0.4150
10 C3 Cg M 6 4 3 1.543 109.102 -97.36 0.2010
11 H3 H1 E 10 6 4 1.092 108.078 -65.99 0.0000
12 O3 Oh S 10 6 4 1.440 109.342 176.73 -0.7010
13 H3O Ho E 12 10 6 0.960 109.476 177.81 0.4320
14 C4 Cg M 10 6 4 1.543 112.432 54.46 0.3350
15 H4 H1 E 14 10 6 1.091 110.326 70.31 0.0000
16 C5 Cg 3 14 10 6 1.539 111.797 -51.79 0.2750
17 H5A H1 E 16 14 10 1.092 110.541 -69.74 0.0000
18 H5E H1 E 16 14 10 1.090 110.214 170.80 0.0000
19 O5 Os E 16 14 10 1.480 110.071 50.34 -0.5190
20 O4 Os M 14 10 6 1.436 108.765 -169.83 -0.4670
LOOP
O5 C1
DONE
4eA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Oh S 9 7 6 1.434 108.916 -64.43 -0.6630
13 H6O Ho E 12 9 7 0.960 109.470 -59.69 0.4060
14 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
15 H4 H1 E 14 7 6 1.091 108.456 -65.22 0.0000
16 C3 Cg 3 14 7 6 1.544 113.133 54.81 0.3280
17 H3 H1 E 16 14 7 1.091 109.843 -174.05 0.0000
18 O3 Oh S 16 14 7 1.442 110.012 67.08 -0.7140
19 H3O Ho E 18 16 14 0.960 109.461 179.72 0.4200
20 C2 Cg B 16 14 7 1.541 111.809 -51.50 0.1790
21 H2 H1 E 20 16 14 1.092 109.967 169.74 0.0000
22 O2 Oh S 20 16 14 1.437 107.327 -73.67 -0.6900
23 H2O Ho E 22 20 16 0.960 109.486 -178.36 0.4470
24 O4 Os M 14 7 6 1.439 109.886 177.28 -0.5000
LOOP
C2 C1
DONE
4eB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 O2 Oh S 6 4 3 1.463 112.571 -104.80 -0.6970
9 H2O Ho E 8 6 4 0.966 108.305 55.11 0.4320
10 C3 Cg M 6 4 3 1.540 108.887 135.69 0.3150
11 H3 H1 E 10 6 4 1.091 109.473 176.26 0.0000
12 O3 Oh S 10 6 4 1.454 108.210 -66.23 -0.6810
13 H3O Ho E 12 10 6 0.965 108.397 172.17 0.4030
14 C4 Cg M 10 6 4 1.554 111.264 55.47 0.3200
15 H4 H1 E 14 10 6 1.091 108.716 63.72 0.0000
16 C5 Cg 3 14 10 6 1.549 111.196 -55.77 0.2570
17 H5 H1 E 16 14 10 1.092 109.111 -65.44 0.0000
18 C6 Cg 3 16 14 10 1.541 112.018 174.42 0.2780
19 H61 H1 E 18 16 14 1.090 110.614 60.34 0.0000
20 H62 H1 E 18 16 14 1.091 110.136 -59.38 0.0000
21 O6 Oh S 18 16 14 1.439 109.977 -179.42 -0.6770
22 H6O Ho E 21 18 16 0.962 108.042 50.79 0.4080
23 O5 Os E 16 14 10 1.501 109.730 53.07 -0.5320
24 O4 Os M 14 10 6 1.457 110.079 -178.65 -0.4980
LOOP
O5 C1
DONE
4fA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.290 114.938 -133.05 0.3990
5 H1 H2 E 4 3 2 1.090 120.789 32.75 0.0000
6 O5 Os M 4 3 2 1.472 68.244 -66.42 -0.4940
7 C5 Cg M 6 4 3 1.495 116.875 -70.92 0.1870
8 H5 H1 E 7 6 4 1.091 107.622 67.25 0.0000
9 C6 Cg 3 7 6 4 1.531 107.907 -177.50 0.0650
10 H61 Hc E 9 7 6 1.091 112.013 60.69 0.0000
11 H62 Hc E 9 7 6 1.091 111.136 -59.35 0.0000
12 H63 Hc E 9 7 6 1.090 111.280 -178.78 0.0000
13 C4 Cg M 7 6 4 1.554 111.650 -50.04 0.2630
14 H4 H1 E 13 7 6 1.091 108.736 170.14 0.0000
15 C3 Cg 3 13 7 6 1.549 111.442 50.00 0.2280
16 H3 H1 E 15 13 7 1.091 108.535 63.68 0.0000
17 O3 Oh S 15 13 7 1.464 109.243 -179.40 -0.6930
18 H3O Ho E 17 15 13 0.965 108.720 -158.83 0.4260
19 C2 Cg B 15 13 7 1.550 109.944 -55.77 0.4560
20 H2 H1 E 19 15 13 1.091 109.004 -59.37 0.0000
21 O2 Oh S 19 15 13 1.463 111.178 -176.89 -0.8040
22 H2O Ho E 21 19 15 0.961 108.560 80.99 0.4530
23 O4 Os M 13 7 6 1.452 110.366 -71.52 -0.4860
LOOP
C2 C1
DONE
4fB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.094 122.532 -140.40 0.4180
5 H1 H2 E 4 3 2 1.091 73.877 -8.00 0.0000
6 C2 Cg M 4 3 2 1.545 109.309 -114.38 0.3460
7 H2 H1 E 6 4 3 1.092 110.063 -86.50 0.0000
8 O2 Oh S 6 4 3 1.439 107.580 32.59 -0.7650
9 H2O Ho E 8 6 4 0.960 109.418 -59.18 0.4400
10 C3 Cg M 6 4 3 1.542 111.933 150.88 0.2550
11 H3 H1 E 10 6 4 1.092 108.986 -69.25 0.0000
12 O3 Oh S 10 6 4 1.440 109.807 172.76 -0.6760
13 H3O Ho E 12 10 6 0.960 109.419 57.20 0.4270
14 C4 Cg M 10 6 4 1.542 112.898 50.54 0.2290
15 H4 H1 E 14 10 6 1.091 109.948 -175.33 0.0000
16 C5 Cg 3 14 10 6 1.543 109.625 -54.44 0.1060
17 H5 H1 E 16 14 10 1.092 108.258 -61.07 0.0000
18 C6 Cg 3 16 14 10 1.531 115.663 178.40 0.0920
19 H61 Hc E 18 16 14 1.091 111.160 177.14 0.0000
20 H62 Hc E 18 16 14 1.091 112.070 -62.71 0.0000
21 H63 Hc E 18 16 14 1.091 111.199 57.72 0.0000
22 O5 Os E 16 14 10 1.481 108.818 56.43 -0.4420
23 O4 Os M 14 10 6 1.445 109.758 64.85 -0.4300
LOOP
O5 C1
DONE
4gA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Oh S 9 7 6 1.444 110.823 -72.03 -0.6820
13 H6O Ho E 12 9 7 0.960 109.735 -78.35 0.4180
14 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
15 H4 H1 E 14 7 6 1.092 109.342 -68.48 0.0000
16 C3 Cg 3 14 7 6 1.547 111.254 52.54 0.2860
17 H3 H1 E 16 14 7 1.092 109.616 66.99 0.0000
18 O3 Oh S 16 14 7 1.452 108.604 -174.42 -0.6990
19 H3O Ho E 18 16 14 0.967 107.382 165.20 0.4270
20 C2 Cg B 16 14 7 1.543 112.114 -54.50 0.2460
21 H2 H1 E 20 16 14 1.091 108.373 -65.99 0.0000
22 O2 Oh S 20 16 14 1.465 110.086 176.46 -0.7130
23 H2O Ho E 22 20 16 0.967 109.170 -83.89 0.4370
24 O4 Os M 14 7 6 1.451 108.995 172.71 -0.4680
LOOP
C2 C1
DONE
4gB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 O2 Oh S 6 4 3 1.458 110.080 20.25 -0.7180
9 H2O Ho E 8 6 4 0.966 108.053 -54.43 0.4370
10 C3 Cg M 6 4 3 1.545 110.380 140.59 0.2840
11 H3 H1 E 10 6 4 1.092 109.008 -69.00 0.0000
12 O3 Oh S 10 6 4 1.454 109.219 172.60 -0.7090
13 H3O Ho E 12 10 6 0.967 107.396 52.27 0.4320
14 C4 Cg M 10 6 4 1.548 112.113 51.91 0.2760
15 H4 H1 E 14 10 6 1.092 109.378 67.39 0.0000
16 C5 Cg 3 14 10 6 1.543 111.306 -53.55 0.2250
17 H5 H1 E 16 14 10 1.092 109.126 -64.00 0.0000
18 C6 Cg 3 16 14 10 1.541 112.515 175.39 0.2820
19 H61 H1 E 18 16 14 1.090 110.609 61.43 0.0000
20 H62 H1 E 18 16 14 1.091 110.212 -58.37 0.0000
21 O6 Oh S 18 16 14 1.440 109.810 -178.39 -0.6880
22 H6O Ho E 21 18 16 0.962 108.265 53.10 0.4240
23 O5 Os E 16 14 10 1.495 108.909 54.04 -0.4710
24 O4 Os M 14 10 6 1.448 109.104 -173.75 -0.4680
LOOP
O5 C1
DONE
4gL INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C7 Cg 3 9 8 4 1.539 109.452 -159.96 0.2610
12 H7 H1 E 11 9 8 1.091 108.030 169.67 0.0000
13 O7 Oh S 11 9 8 1.451 109.645 -73.49 -0.7120
14 H7O Ho E 13 11 9 0.975 109.093 -67.68 0.4080
15 C8 Cg 3 11 9 8 1.556 112.912 50.19 0.2810
16 H8 H1 E 15 11 9 1.091 109.679 -63.78 0.0000
17 O8 Oh S 15 11 9 1.465 109.875 55.42 -0.6830
18 H8O Ho E 17 15 11 0.989 111.171 -71.70 0.4230
19 C9 Cg 3 15 11 9 1.546 111.802 175.39 0.2520
20 H9R H1 E 19 15 11 1.091 110.154 -61.57 0.0000
21 H9S H1 E 19 15 11 1.090 110.707 58.01 0.0000
22 O9 Oh S 19 15 11 1.442 110.110 178.23 -0.6810
23 H9O Ho E 22 19 15 0.966 105.599 41.84 0.4170
24 C5 Cg M 9 8 4 1.539 107.618 68.71 0.4560
25 H5 H1 E 24 9 8 1.092 108.644 61.52 0.0000
26 N5 Ng B 24 9 8 1.485 110.283 -178.97 -0.7570
27 H5N H E 26 24 9 1.009 118.343 81.24 0.3120
28 C5N C B 26 24 9 1.340 123.871 -93.43 0.6520
29 O5N O E 28 26 24 1.229 120.643 1.25 -0.6120
30 CME Cg 3 28 26 24 1.585 118.309 -179.32 0.2780
31 H1M H1 E 30 28 26 1.090 107.406 -109.99 0.0000
32 H2M H1 E 30 28 26 1.090 107.247 134.99 0.0000
33 OHG Oh S 30 28 26 1.456 118.581 12.68 -0.6530
34 HOG Ho E 33 30 28 0.961 109.618 127.32 0.3850
35 C4 Cg M 24 9 8 1.567 108.763 -56.16 0.3750
36 H4 H1 E 35 24 9 1.091 108.346 -69.62 0.0000
37 C3 Cg B 35 24 9 1.542 112.768 49.82 0.0400
38 H3A Hc E 37 35 24 1.094 108.648 73.23 0.0000
39 H3E Hc E 37 35 24 1.092 110.246 -171.81 0.0000
40 O4 Os M 35 24 9 1.459 111.264 172.12 -0.5580
LOOP
C3 C2
DONE
4hA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.373 114.818 -133.12 0.3940
5 H1 H2 E 4 3 2 1.090 123.975 26.37 0.0000
6 O5 Os M 4 3 2 1.473 66.142 -70.59 -0.4610
7 C5 Cg M 6 4 3 1.486 117.952 -69.56 0.2790
8 H5 H1 E 7 6 4 1.092 108.099 67.53 0.0000
9 C6 Cg 3 7 6 4 1.530 106.736 -176.09 0.0230
10 H61 Hc E 9 7 6 1.091 111.668 63.20 0.0000
11 H62 Hc E 9 7 6 1.091 111.314 -56.98 0.0000
12 H63 Hc E 9 7 6 1.090 111.509 -176.49 0.0000
13 C4 Cg M 7 6 4 1.549 110.695 -51.67 0.1870
14 H4 H1 E 13 7 6 1.091 109.781 -68.51 0.0000
15 C3 Cg 3 13 7 6 1.545 110.317 52.49 0.2360
16 H3 H1 E 15 13 7 1.092 108.830 64.14 0.0000
17 O3 Oh S 15 13 7 1.452 109.689 -178.23 -0.6490
18 H3O Ho E 17 15 13 0.965 106.808 -52.52 0.4250
19 C2 Cg B 15 13 7 1.545 112.380 -55.89 0.2480
20 H2 H1 E 19 15 13 1.091 109.364 174.25 0.0000
21 O2 Oh S 19 15 13 1.456 109.714 -67.50 -0.6700
22 H2O Ho E 21 19 15 0.965 106.818 -49.47 0.4210
23 O4 Os M 13 7 6 1.456 109.491 172.11 -0.4330
LOOP
C2 C1
DONE
4hB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 42.030 124.543 -153.41 0.3810
5 H1 H2 E 4 3 2 1.091 139.785 159.66 0.0000
6 C2 Cg M 4 3 2 1.542 96.846 27.94 0.2430
7 H2 H1 E 6 4 3 1.091 110.263 89.84 0.0000
8 O2 Oh S 6 4 3 1.446 108.900 -29.97 -0.6730
9 H2O Ho E 8 6 4 0.960 109.408 -178.72 0.4320
10 C3 Cg M 6 4 3 1.542 108.951 -149.17 0.1820
11 H3 H1 E 10 6 4 1.092 107.999 -65.80 0.0000
12 O3 Oh S 10 6 4 1.440 109.222 177.05 -0.6650
13 H3O Ho E 12 10 6 0.960 109.425 178.23 0.4180
14 C4 Cg M 10 6 4 1.543 112.684 54.72 0.3880
15 H4 H1 E 14 10 6 1.092 109.930 71.13 0.0000
16 C5 Cg 3 14 10 6 1.547 112.131 -51.25 0.1720
17 H5 H1 E 16 14 10 1.092 109.230 -69.17 0.0000
18 C6M Cg 3 16 14 10 1.530 114.214 169.13 0.0390
19 H3M Hc E 18 16 14 1.091 111.441 61.33 0.0000
20 H2M Hc E 18 16 14 1.091 111.709 -58.98 0.0000
21 H1M Hc E 18 16 14 1.091 111.297 -179.18 0.0000
22 O5 Os E 16 14 10 1.483 109.717 48.94 -0.4270
23 O4 Os M 14 10 6 1.438 108.082 -169.72 -0.4900
LOOP
O5 C1
DONE
4jA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.606 116.955 -129.13 0.1140
5 C1 Cg 3 4 3 2 1.562 37.871 133.82 0.4100
6 H11 H1 E 5 4 3 1.091 110.432 -44.43 0.0000
7 H12 H1 E 5 4 3 1.091 109.780 74.50 0.0000
8 O1 Oh S 5 4 3 1.437 111.258 -165.16 -0.6560
9 H1O Ho E 8 5 4 0.970 105.489 -31.79 0.4050
10 O6 Os M 4 3 2 1.482 115.122 42.33 -0.5040
11 C6 Cg M 10 4 3 1.489 118.583 -143.57 0.3680
12 H6A H1 E 11 10 4 1.091 108.585 71.14 0.0000
13 H6E H1 E 11 10 4 1.090 108.936 -171.67 0.0000
14 C5 Cg M 11 10 4 1.541 111.422 -50.10 0.2730
15 H5 H1 E 14 11 10 1.091 109.320 -69.49 0.0000
16 O5 Oh S 14 11 10 1.453 108.662 172.04 -0.6990
17 H5O Ho E 16 14 11 0.965 108.090 -177.58 0.4190
18 C4 Cg M 14 11 10 1.547 110.532 51.66 0.2810
19 H4 H1 E 18 14 11 1.091 108.842 63.65 0.0000
20 C3 Cg B 18 14 11 1.550 111.417 -56.44 0.2710
21 H3 H1 E 20 18 14 1.091 109.045 176.24 0.0000
22 O3 Oh S 20 18 14 1.458 108.952 -66.09 -0.6540
23 H3O Ho E 22 20 18 0.966 107.634 -43.74 0.4250
24 O4 Os M 18 14 11 1.460 110.450 -178.37 -0.4530
LOOP
C3 C2
DONE
4jB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.167 115.000 -133.41 0.4130
5 C1 Cg 3 4 3 2 1.565 63.386 -70.64 0.2800
6 H11 H1 E 5 4 3 1.089 110.419 -177.38 0.0000
7 H12 H1 E 5 4 3 1.091 109.821 -59.25 0.0000
8 O1 Oh S 5 4 3 1.444 112.820 62.20 -0.7220
9 H1O Ho E 8 5 4 0.965 107.671 -41.74 0.4320
10 C3 Cg M 4 3 2 1.569 133.651 -166.33 0.3630
11 H3 H1 E 10 4 3 1.091 109.772 23.93 0.0000
12 O3 Oh S 10 4 3 1.461 111.127 -95.90 -0.7250
13 H3O Ho E 12 10 4 0.967 106.570 -171.29 0.4320
14 C4 Cg M 10 4 3 1.551 110.614 144.95 0.1550
15 H4 H1 E 14 10 4 1.090 108.392 -65.40 0.0000
16 C5 Cg 3 14 10 4 1.550 111.966 54.12 0.3740
17 H5 H1 E 16 14 10 1.091 109.534 68.96 0.0000
18 C6 Cg 3 16 14 10 1.547 111.895 -52.01 0.2920
19 H6A H1 E 18 16 14 1.091 110.065 -70.83 0.0000
20 H6E H1 E 18 16 14 1.090 109.985 170.44 0.0000
21 O6 Os E 18 16 14 1.484 111.063 49.63 -0.5510
22 O5 Oh S 16 14 10 1.455 108.361 -172.59 -0.7290
23 H5O Ho E 22 16 14 0.962 111.074 69.64 0.4260
24 O4 Os M 14 10 4 1.459 109.947 177.92 -0.4400
LOOP
O6 C2
DONE
4jD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920
5 C1 Cg 3 4 3 2 1.554 16.572 -148.09 0.3890
6 H11 H1 E 5 4 3 1.091 110.219 17.52 0.0000
7 H12 H1 E 5 4 3 1.091 109.769 136.51 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -103.20 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 -50.29 0.3800
10 O5 Os M 4 3 2 1.567 99.436 71.06 -0.4100
11 C5 Cg M 10 4 3 1.585 113.292 149.88 0.1900
12 H5 H1 E 11 10 4 1.091 109.254 118.42 0.0000
13 C6 Cg 3 11 10 4 1.542 109.417 -121.68 0.3400
14 H61 H1 E 13 11 10 1.090 110.186 170.13 0.0000
15 H62 H1 E 13 11 10 1.090 110.250 50.63 0.0000
16 O6 Oh S 13 11 10 1.441 110.517 -70.42 -0.7250
17 H6O Ho E 16 13 11 0.959 110.296 -58.30 0.4250
18 C4 Cg M 11 10 4 1.625 104.597 1.92 0.2330
19 H4 H1 E 18 11 10 1.090 107.076 101.60 0.0000
20 C3 Cg B 18 11 10 1.642 107.375 -13.44 0.3930
21 H3 H1 E 20 18 11 1.091 111.073 142.12 0.0000
22 O3 Oh S 20 18 11 1.455 107.927 -98.38 -0.7480
23 H3O Ho E 22 20 18 0.969 106.278 -23.03 0.4460
24 O4 Os M 18 11 10 1.458 113.707 -139.62 -0.4510
LOOP
C3 C2
DONE
4jU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510
5 C1 Cg 3 4 3 2 1.554 41.375 -67.07 0.3330
6 H11 H1 E 5 4 3 1.090 109.574 170.02 0.0000
7 H12 H1 E 5 4 3 1.090 110.121 -71.39 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 49.66 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 173.81 0.4150
10 C3 Cg M 4 3 2 1.643 134.152 -137.11 0.2230
11 H3 H1 E 10 4 3 1.090 111.499 28.62 0.0000
12 O3 Oh S 10 4 3 1.460 110.322 -92.24 -0.6710
13 H3O Ho E 12 10 4 0.971 106.808 11.93 0.4160
14 C4 Cg M 10 4 3 1.639 106.529 149.37 0.2840
15 H4 H1 E 14 10 4 1.091 107.844 -100.60 0.0000
16 C5 Cg 3 14 10 4 1.619 107.844 15.28 0.1000
17 H5 H1 E 16 14 10 1.089 109.205 -129.69 0.0000
18 C6 Cg 3 16 14 10 1.537 115.282 106.51 0.3490
19 H61 H1 E 18 16 14 1.090 111.054 58.46 0.0000
20 H62 H1 E 18 16 14 1.089 110.316 -62.25 0.0000
21 O6 Oh S 18 16 14 1.435 108.026 178.22 -0.6840
22 H6O Ho E 21 18 16 0.962 107.568 44.32 0.4110
23 O5 Os E 16 14 10 1.585 104.895 -12.75 -0.3890
24 O4 Os M 14 10 4 1.442 112.118 140.35 -0.4410
LOOP
O5 C2
DONE
4kA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Oh S 9 7 6 1.434 108.908 -64.18 -0.6910
13 H6O Ho E 12 9 7 0.960 109.471 -59.53 0.4220
14 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
15 H4 H1 E 14 7 6 1.091 109.347 173.46 0.0000
16 C3 Cg 3 14 7 6 1.541 113.058 50.90 0.3540
17 H3 H1 E 16 14 7 1.091 110.148 -170.51 0.0000
18 O3 Oh S 16 14 7 1.440 107.217 72.05 -0.7440
19 H3O Ho E 18 16 14 0.960 109.437 179.14 0.4360
20 C2 Cg B 16 14 7 1.544 111.196 -48.50 0.2810
21 H2 H1 E 20 16 14 1.091 106.696 -68.80 0.0000
22 O2 Oh S 20 16 14 1.439 110.836 175.80 -0.7160
23 H2O Ho E 22 20 16 0.960 109.409 -65.65 0.4270
24 O4 Os M 14 7 6 1.440 109.315 -68.60 -0.4860
LOOP
C2 C1
DONE
4kB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 O2 Oh S 6 4 3 1.462 111.766 18.28 -0.7100
9 H2O Ho E 8 6 4 0.965 108.091 -56.20 0.4260
10 C3 Cg M 6 4 3 1.547 110.415 140.23 0.2530
11 H3 H1 E 10 6 4 1.091 109.195 174.71 0.0000
12 O3 Oh S 10 6 4 1.452 110.271 -66.88 -0.7100
13 H3O Ho E 12 10 6 0.968 107.267 -52.72 0.4420
14 C4 Cg M 10 6 4 1.545 111.988 53.40 0.2170
15 H4 H1 E 14 10 6 1.091 109.393 -172.98 0.0000
16 C5 Cg 3 14 10 6 1.553 111.117 -52.75 0.3030
17 H5 H1 E 16 14 10 1.092 107.789 -66.12 0.0000
18 C6 Cg 3 16 14 10 1.542 113.025 175.07 0.2590
19 H61 H1 E 18 16 14 1.090 110.096 53.77 0.0000
20 H62 H1 E 18 16 14 1.090 110.533 -65.83 0.0000
21 O6 Oh S 18 16 14 1.441 110.162 173.71 -0.6700
22 H6O Ho E 21 18 16 0.962 108.273 57.74 0.4160
23 O5 Os E 16 14 10 1.499 110.891 51.77 -0.5140
24 O4 Os M 14 10 6 1.455 108.780 69.68 -0.4690
LOOP
O5 C1
DONE
4lA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Oh S 9 7 6 1.434 108.858 -64.45 -0.6840
13 H6O Ho E 12 9 7 0.960 109.466 -59.52 0.4180
14 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
15 H4 H1 E 14 7 6 1.091 109.671 175.54 0.0000
16 C3 Cg 3 14 7 6 1.544 110.422 54.45 0.2530
17 H3 H1 E 16 14 7 1.091 108.559 66.00 0.0000
18 O3 Oh S 16 14 7 1.440 109.147 -176.39 -0.7010
19 H3O Ho E 18 16 14 0.960 109.438 -179.39 0.4330
20 C2 Cg B 16 14 7 1.541 111.714 -54.48 0.3390
21 H2 H1 E 20 16 14 1.091 108.995 -66.63 0.0000
22 O2 Oh S 20 16 14 1.440 110.049 175.31 -0.7240
23 H2O Ho E 22 20 16 0.960 109.415 -62.60 0.4310
24 O4 Os M 14 7 6 1.445 108.372 -65.83 -0.4310
LOOP
C2 C1
DONE
4lB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 O2 Oh S 6 4 3 1.459 109.860 20.73 -0.7260
9 H2O Ho E 8 6 4 0.965 107.724 -55.10 0.4320
10 C3 Cg M 6 4 3 1.547 110.130 140.44 0.2590
11 H3 H1 E 10 6 4 1.092 108.676 -66.21 0.0000
12 O3 Oh S 10 6 4 1.455 110.815 175.60 -0.6940
13 H3O Ho E 12 10 6 0.967 107.449 52.82 0.4330
14 C4 Cg M 10 6 4 1.546 112.254 53.31 0.2030
15 H4 H1 E 14 10 6 1.091 109.260 -175.38 0.0000
16 C5 Cg 3 14 10 6 1.545 110.517 -55.04 0.1400
17 H5 H1 E 16 14 10 1.092 107.648 -63.90 0.0000
18 C6 Cg 3 16 14 10 1.539 113.155 176.88 0.3190
19 H61 H1 E 18 16 14 1.090 110.337 53.86 0.0000
20 H62 H1 E 18 16 14 1.091 110.848 -66.38 0.0000
21 O6 Oh S 18 16 14 1.437 109.027 173.44 -0.6930
22 H6O Ho E 21 18 16 0.961 107.830 58.33 0.4190
23 O5 Os E 16 14 10 1.495 110.103 53.62 -0.4020
24 O4 Os M 14 10 6 1.449 109.638 65.91 -0.4210
LOOP
O5 C1
DONE
4mA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Oh S 9 7 6 1.444 110.952 -70.49 -0.6880
13 H6O Ho E 12 9 7 0.960 109.923 -72.72 0.4220
14 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
15 H4 H1 E 14 7 6 1.091 109.924 -69.18 0.0000
16 C3 Cg 3 14 7 6 1.549 110.605 52.31 0.2520
17 H3 H1 E 16 14 7 1.092 108.663 62.49 0.0000
18 O3 Oh S 16 14 7 1.461 110.813 -179.59 -0.6960
19 H3O Ho E 18 16 14 0.964 109.699 -161.58 0.4310
20 C2 Cg B 16 14 7 1.545 111.609 -57.15 0.2450
21 H2 H1 E 20 16 14 1.091 109.207 175.17 0.0000
22 O2 Oh S 20 16 14 1.459 109.731 -66.73 -0.7170
23 H2O Ho E 22 20 16 0.965 108.621 -45.43 0.4460
24 O4 Os M 14 7 6 1.452 108.824 171.70 -0.4890
LOOP
C2 C1
DONE
4mB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 O2 Oh S 6 4 3 1.459 109.767 -99.50 -0.6640
9 H2O Ho E 8 6 4 0.964 107.524 55.50 0.4310
10 C3 Cg M 6 4 3 1.547 107.300 140.06 0.2630
11 H3 H1 E 10 6 4 1.092 107.890 -58.13 0.0000
12 O3 Oh S 10 6 4 1.457 110.746 -174.70 -0.6920
13 H3O Ho E 12 10 6 0.962 109.624 154.41 0.4300
14 C4 Cg M 10 6 4 1.553 110.623 60.52 0.3490
15 H4 H1 E 14 10 6 1.091 109.997 63.90 0.0000
16 C5 Cg 3 14 10 6 1.550 110.419 -57.43 0.2060
17 H5 H1 E 16 14 10 1.092 108.705 -67.76 0.0000
18 C6 Cg 3 16 14 10 1.539 111.873 172.30 0.2730
19 H61 H1 E 18 16 14 1.090 110.558 59.60 0.0000
20 H62 H1 E 18 16 14 1.091 110.262 -60.18 0.0000
21 O6 Oh S 18 16 14 1.439 109.850 179.68 -0.6800
22 H6O Ho E 21 18 16 0.962 108.414 55.86 0.4190
23 O5 Os E 16 14 10 1.498 110.843 50.51 -0.3930
24 O4 Os M 14 10 6 1.452 109.624 -176.73 -0.4970
LOOP
O5 C1
DONE
4nA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Oh S 9 7 6 1.434 109.011 -63.74 -0.6630
13 H6O Ho E 12 9 7 0.960 109.493 -59.88 0.3960
14 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
15 H4 H1 E 14 7 6 1.091 108.424 -67.01 0.0000
16 C3 Cg 3 14 7 6 1.543 113.659 53.11 0.3300
17 H3 H1 E 16 14 7 1.091 110.022 -173.93 0.0000
18 O3 Oh S 16 14 7 1.445 109.798 66.31 -0.7140
19 H3O Ho E 18 16 14 0.960 109.446 64.20 0.4410
20 C2 Cg B 16 14 7 1.541 108.602 -53.52 0.2280
21 H2 H1 E 20 16 14 1.091 106.837 -65.32 0.0000
22 O2 Oh S 20 16 14 1.439 110.703 179.06 -0.6680
23 H2O Ho E 22 20 16 0.960 109.386 -64.03 0.4150
24 O4 Os M 14 7 6 1.439 109.651 175.64 -0.4830
LOOP
C2 C1
DONE
4nB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 O2 Oh S 6 4 3 1.458 111.714 19.64 -0.7030
9 H2O Ho E 8 6 4 0.966 108.382 -58.42 0.4240
10 C3 Cg M 6 4 3 1.544 110.844 141.66 0.2340
11 H3 H1 E 10 6 4 1.092 109.398 175.17 0.0000
12 O3 Oh S 10 6 4 1.458 109.599 -65.98 -0.6150
13 H3O Ho E 12 10 6 0.967 107.516 -48.26 0.3890
14 C4 Cg M 10 6 4 1.546 109.920 54.68 0.2860
15 H4 H1 E 14 10 6 1.091 108.699 62.12 0.0000
16 C5 Cg 3 14 10 6 1.547 111.303 -57.50 0.1980
17 H5 H1 E 16 14 10 1.091 109.233 -61.92 0.0000
18 C6 Cg 3 16 14 10 1.541 112.741 177.70 0.3130
19 H61 H1 E 18 16 14 1.090 110.689 61.33 0.0000
20 H62 H1 E 18 16 14 1.090 110.338 -58.85 0.0000
21 O6 Oh S 18 16 14 1.438 109.178 -178.76 -0.6890
22 H6O Ho E 21 18 16 0.962 107.694 47.58 0.4180
23 O5 Os E 16 14 10 1.500 108.536 56.16 -0.5070
24 O4 Os M 14 10 6 1.447 109.608 179.74 -0.4710
LOOP
O5 C1
DONE
4oA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.463 117.245 -129.47 0.3050
5 H1 H2 E 4 3 2 1.090 34.578 150.44 0.0000
6 O5 Os M 4 3 2 1.471 105.819 50.53 -0.4240
7 C5 Cg M 6 4 3 1.515 118.146 -155.23 0.0540
8 H5 H1 E 7 6 4 1.092 107.817 65.63 0.0000
9 C6 C B 7 6 4 1.566 116.761 -173.10 0.8960
10 O6B O2 E 9 7 6 1.255 117.285 49.97 -0.8220
11 O6A O2 E 9 7 6 1.252 116.529 -135.07 -0.8220
12 C4 Cg M 7 6 4 1.540 109.060 -52.35 0.2670
13 H4 H1 E 12 7 6 1.091 109.560 176.88 0.0000
14 C3 Cg 3 12 7 6 1.551 109.735 56.67 0.2510
15 H3 H1 E 14 12 7 1.092 108.010 56.95 0.0000
16 O3 Oh S 14 12 7 1.460 111.816 174.01 -0.7250
17 H3O Ho E 16 14 12 0.964 107.278 157.34 0.4160
18 C2 Cg B 14 12 7 1.548 110.284 -61.11 0.4130
19 H2 H1 E 18 14 12 1.091 109.347 -64.48 0.0000
20 O2 Oh S 18 14 12 1.464 110.220 176.88 -0.7710
21 H2O Ho E 20 18 14 0.966 105.614 -87.16 0.4310
22 O4 Os M 12 7 6 1.455 107.562 -64.91 -0.4690
LOOP
C2 C1
DONE
4oB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.219 115.043 -133.41 0.3010
5 H1 H2 E 4 3 2 1.091 63.366 -68.89 0.0000
6 C2 Cg M 4 3 2 1.559 138.871 -159.91 0.3830
7 H2 H1 E 6 4 3 1.091 109.614 -94.43 0.0000
8 O2 Oh S 6 4 3 1.460 107.566 23.78 -0.7320
9 H2O Ho E 8 6 4 0.962 106.473 -54.35 0.4010
10 C3 Cg M 6 4 3 1.553 110.962 144.51 0.2590
11 H3 H1 E 10 6 4 1.092 108.228 -67.30 0.0000
12 O3 Oh S 10 6 4 1.466 112.472 174.09 -0.7080
13 H3O Ho E 12 10 6 0.961 109.065 156.60 0.4040
14 C4 Cg M 10 6 4 1.548 111.733 51.56 0.2600
15 H4 H1 E 14 10 6 1.091 108.447 -176.52 0.0000
16 C5 Cg 3 14 10 6 1.538 110.856 -55.81 0.0490
17 H5 H1 E 16 14 10 1.092 107.135 -59.52 0.0000
18 C6 C B 16 14 10 1.574 110.283 -172.73 0.8380
19 O6A O2 E 18 16 14 1.254 118.706 -136.36 -0.7940
20 O6B O2 E 18 16 14 1.256 116.247 49.13 -0.7940
21 O5 Os E 16 14 10 1.506 109.239 55.41 -0.4140
22 O4 Os M 14 10 6 1.450 109.430 65.27 -0.4530
LOOP
O5 C1
DONE
4pA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 38.107 125.493 -138.65 0.4170
5 C1 Cg 3 4 3 2 1.541 32.225 137.95 0.3270
6 H11 H1 E 5 4 3 1.091 110.426 -89.86 0.0000
7 H12 H1 E 5 4 3 1.091 110.581 29.73 0.0000
8 O1 Oh S 5 4 3 1.436 110.176 150.08 -0.6440
9 H1O Ho E 8 5 4 0.960 109.427 -60.11 0.3930
10 O6 Os M 4 3 2 1.488 134.068 95.67 -0.5980
11 C6 Cg M 10 4 3 1.482 118.332 -161.65 0.3930
12 H6A H1 E 11 10 4 1.091 109.250 66.45 0.0000
13 H6E H1 E 11 10 4 1.090 109.091 -175.40 0.0000
14 C5 Cg M 11 10 4 1.536 109.077 -54.75 0.1530
15 H5 H1 E 14 11 10 1.091 108.321 -65.28 0.0000
16 O5 Oh S 14 11 10 1.437 108.893 177.77 -0.6930
17 H5O Ho E 16 14 11 0.960 109.495 178.45 0.4280
18 C4 Cg M 14 11 10 1.541 113.177 55.00 0.3940
19 H4 H1 E 18 14 11 1.091 110.012 -174.96 0.0000
20 C3 Cg B 18 14 11 1.543 108.511 -54.52 0.1500
21 H3 H1 E 20 18 14 1.091 106.088 -66.29 0.0000
22 O3 Oh S 20 18 14 1.441 110.125 178.95 -0.6650
23 H3O Ho E 22 20 18 0.960 109.411 -65.90 0.4090
24 O4 Os M 18 14 11 1.445 109.714 65.32 -0.4640
LOOP
C3 C2
DONE
4pB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.269 115.092 -133.40 0.4070
5 C1 Cg 3 4 3 2 1.572 55.875 -67.58 0.3790
6 H11 H1 E 5 4 3 1.088 110.382 170.92 0.0000
7 H12 H1 E 5 4 3 1.091 110.003 -70.52 0.0000
8 O1 Oh S 5 4 3 1.452 112.720 50.63 -0.7200
9 H1O Ho E 8 5 4 0.961 109.403 178.93 0.4100
10 C3 Cg M 4 3 2 1.562 136.654 -159.34 0.1800
11 H3 H1 E 10 4 3 1.092 107.885 -98.54 0.0000
12 O3 Oh S 10 4 3 1.462 112.137 18.93 -0.6810
13 H3O Ho E 12 10 4 0.967 108.335 -65.45 0.4220
14 C4 Cg M 10 4 3 1.548 113.222 144.34 0.3280
15 H4 H1 E 14 10 4 1.091 109.035 170.62 0.0000
16 C5 Cg 3 14 10 4 1.546 111.648 50.00 0.1880
17 H5 H1 E 16 14 10 1.091 108.531 65.60 0.0000
18 C6 Cg 3 16 14 10 1.540 111.137 -53.12 0.3640
19 H6A H1 E 18 16 14 1.091 110.957 -65.43 0.0000
20 H6E H1 E 18 16 14 1.090 110.095 174.89 0.0000
21 O6 Os E 18 16 14 1.483 108.996 55.37 -0.5400
22 O5 Oh S 16 14 10 1.454 110.567 -176.42 -0.7050
23 H5O Ho E 22 16 14 0.967 108.400 37.89 0.4330
24 O4 Os M 14 10 4 1.453 109.303 -71.38 -0.4650
LOOP
O6 C2
DONE
4pD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240
5 C1 Cg 3 4 3 2 1.533 11.296 11.27 0.2860
6 H11 H1 E 5 4 3 1.091 110.553 139.19 0.0000
7 H12 H1 E 5 4 3 1.091 110.436 -100.78 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 19.30 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 -179.30 0.4190
10 O5 Os M 4 3 2 1.578 107.245 118.43 -0.4530
11 C5 Cg M 10 4 3 1.580 112.574 125.89 0.1940
12 H5 H1 E 11 10 4 1.092 109.225 119.03 0.0000
13 C6 Cg 3 11 10 4 1.529 108.517 -121.64 0.2910
14 H61 H1 E 13 11 10 1.090 110.281 176.00 0.0000
15 H62 H1 E 13 11 10 1.091 110.695 55.73 0.0000
16 O6 Oh S 13 11 10 1.433 108.604 -64.48 -0.6950
17 H6O Ho E 16 13 11 0.960 109.454 -59.02 0.4110
18 C4 Cg M 11 10 4 1.626 105.532 -0.49 0.2820
19 H4 H1 E 18 11 10 1.091 112.773 -134.13 0.0000
20 C3 Cg B 18 11 10 1.629 106.867 -10.85 0.3340
21 H3 H1 E 20 18 11 1.090 106.567 -97.07 0.0000
22 O3 Oh S 20 18 11 1.441 113.670 145.25 -0.6610
23 H3O Ho E 22 20 18 0.960 109.502 57.68 0.4150
24 O4 Os M 18 11 10 1.437 105.885 105.93 -0.4560
LOOP
C3 C2
DONE
4pU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880
5 C1 Cg 3 4 3 2 1.541 49.994 0.67 0.3650
6 H11 H1 E 5 4 3 1.090 109.918 -145.53 0.0000
7 H12 H1 E 5 4 3 1.091 110.660 -26.12 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 94.77 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 -179.45 0.4180
10 C3 Cg M 4 3 2 1.631 108.524 -109.61 0.3340
11 H3 H1 E 10 4 3 1.091 109.543 -74.21 0.0000
12 O3 Oh S 10 4 3 1.441 112.255 44.83 -0.7140
13 H3O Ho E 12 10 4 0.960 109.493 177.90 0.4240
14 C4 Cg M 10 4 3 1.631 107.756 169.64 0.1920
15 H4 H1 E 14 10 4 1.091 111.099 133.10 0.0000
16 C5 Cg 3 14 10 4 1.623 107.338 10.25 0.3690
17 H5 H1 E 16 14 10 1.092 111.285 -129.81 0.0000
18 C6 Cg 3 16 14 10 1.529 112.798 106.76 0.2150
19 H61 H1 E 18 16 14 1.090 110.301 60.35 0.0000
20 H62 H1 E 18 16 14 1.091 110.659 -59.91 0.0000
21 O6 Oh S 18 16 14 1.433 108.649 179.93 -0.6780
22 H6O Ho E 21 18 16 0.960 109.500 -58.51 0.4210
23 O5 Os E 16 14 10 1.576 105.494 -11.41 -0.4800
24 O4 Os M 14 10 4 1.438 110.850 -105.23 -0.4670
LOOP
O5 C2
DONE
4qA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.363 114.978 -133.03 0.4650
5 H1 H1 E 4 3 2 1.090 121.763 32.99 0.0000
6 O5 Os M 4 3 2 1.467 70.798 -67.46 -0.5590
7 C5 Cg M 6 4 3 1.487 117.291 -66.87 0.2340
8 H5 H1 E 7 6 4 1.092 108.269 65.21 0.0000
9 C6 Cg 3 7 6 4 1.531 106.976 -178.31 0.0600
10 H61 Hc E 9 7 6 1.091 111.279 -57.12 0.0000
11 H62 Hc E 9 7 6 1.091 111.508 -176.59 0.0000
12 H63 Hc E 9 7 6 1.091 111.703 63.05 0.0000
13 C4 Cg M 7 6 4 1.546 110.112 -53.83 0.2080
14 H4 H1 E 13 7 6 1.092 109.076 -69.57 0.0000
15 C3 Cg 3 13 7 6 1.550 111.848 51.22 0.3120
16 H3 H1 E 15 13 7 1.092 109.484 68.56 0.0000
17 O3 Oh S 15 13 7 1.451 107.191 -173.73 -0.6970
18 H3O Ho E 17 15 13 0.963 107.525 -56.57 0.4240
19 C2 Cg B 15 13 7 1.550 112.115 -52.85 0.2810
20 H2 H1 E 19 15 13 1.091 108.369 -65.92 0.0000
21 O2 Oh S 19 15 13 1.464 112.236 175.32 -0.6950
22 H2O Ho E 21 19 15 0.963 109.360 -65.35 0.4220
23 O4 Os M 13 7 6 1.456 108.902 171.97 -0.4550
LOOP
C2 C1
DONE
4qB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.342 114.850 -133.09 0.3910
5 H1 H1 E 4 3 2 1.091 66.637 -64.20 0.0000
6 C2 Cg M 4 3 2 1.554 136.503 -160.98 0.3230
7 H2 H1 E 6 4 3 1.092 109.276 -93.94 0.0000
8 O2 Oh S 6 4 3 1.460 110.327 25.57 -0.7130
9 H2O Ho E 8 6 4 0.966 107.987 -53.85 0.4200
10 C3 Cg M 6 4 3 1.546 109.870 145.94 0.3000
11 H3 H1 E 10 6 4 1.092 108.841 -69.08 0.0000
12 O3 Oh S 10 6 4 1.454 109.133 172.74 -0.6890
13 H3O Ho E 12 10 6 0.966 107.391 52.07 0.4200
14 C4 Cg M 10 6 4 1.549 112.577 51.86 0.2500
15 H4 H1 E 14 10 6 1.092 109.316 68.82 0.0000
16 C5 Cg 3 14 10 6 1.548 111.410 -52.00 0.2710
17 H5 H1 E 16 14 10 1.092 109.263 -66.11 0.0000
18 C6 Cg 3 16 14 10 1.530 114.065 172.27 0.0480
19 H61 Hc E 18 16 14 1.091 111.262 -178.50 0.0000
20 H62 Hc E 18 16 14 1.091 111.509 62.03 0.0000
21 H63 Hc E 18 16 14 1.091 111.710 -58.34 0.0000
22 O5 Os E 16 14 10 1.486 109.336 52.29 -0.5350
23 O4 Os M 14 10 6 1.451 109.144 -172.28 -0.4860
LOOP
O5 C1
DONE
4rA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.108 125.437 -138.65 0.4880
5 H1 H2 E 4 3 2 1.090 34.452 139.99 0.0000
6 O5 Os M 4 3 2 1.483 136.062 95.09 -0.5610
7 C5 Cg M 6 4 3 1.483 117.768 -164.72 0.3770
8 H5A H1 E 7 6 4 1.091 109.204 66.57 0.0000
9 H5E H1 E 7 6 4 1.090 109.080 -175.36 0.0000
10 C4 Cg M 7 6 4 1.537 109.246 -54.64 0.1220
11 H4 H1 E 10 7 6 1.091 108.264 -65.95 0.0000
12 C3 Cg 3 10 7 6 1.542 113.340 54.31 0.3450
13 H3 H1 E 12 10 7 1.091 110.108 -174.25 0.0000
14 O3 Oh S 12 10 7 1.445 109.754 65.90 -0.7370
15 H3O Ho E 14 12 10 0.960 109.441 63.11 0.4430
16 C2 Cg B 12 10 7 1.542 108.334 -53.79 0.2530
17 H2 H1 E 16 12 10 1.091 106.798 -65.63 0.0000
18 O2 Oh S 16 12 10 1.439 110.674 178.86 -0.7110
19 H2O Ho E 18 16 12 0.960 109.367 -64.08 0.4190
20 O4 Os M 10 7 6 1.437 108.837 177.17 -0.4380
LOOP
C2 C1
DONE
4rB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.205 115.033 -133.24 0.4810
5 H1 H2 E 4 3 2 1.090 58.746 -70.52 0.0000
6 C2 Cg M 4 3 2 1.563 140.544 -157.28 0.3850
7 H2 H1 E 6 4 3 1.092 108.121 -109.69 0.0000
8 O2 Oh S 6 4 3 1.459 113.253 8.58 -0.7320
9 H2O Ho E 8 6 4 0.963 108.588 -45.68 0.4140
10 C3 Cg M 6 4 3 1.550 109.259 132.95 0.2030
11 H3 H1 E 10 6 4 1.091 109.709 178.53 0.0000
12 O3 Oh S 10 6 4 1.460 111.251 -60.93 -0.6960
13 H3O Ho E 12 10 6 0.965 108.989 176.00 0.4280
14 C4 Cg M 10 6 4 1.548 108.635 58.66 0.2360
15 H4 H1 E 14 10 6 1.091 108.914 60.36 0.0000
16 C5 Cg 3 14 10 6 1.549 110.878 -58.91 0.3350
17 H5A H1 E 16 14 10 1.091 110.751 -65.58 0.0000
18 H5E H1 E 16 14 10 1.090 110.011 175.14 0.0000
19 O5 Os E 16 14 10 1.488 109.926 55.20 -0.5760
20 O4 Os M 14 10 6 1.453 110.299 178.35 -0.4780
LOOP
O5 C1
DONE
4sA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C7 Cg 3 9 8 4 1.543 109.559 -161.44 0.1110
12 H7 H1 E 11 9 8 1.091 107.799 168.79 0.0000
13 O7 Oh S 11 9 8 1.460 110.189 -74.65 -0.7210
14 H7O Ho E 13 11 9 0.977 109.950 -68.18 0.4350
15 C8 Cg 3 11 9 8 1.556 112.192 50.24 0.4920
16 H8 H1 E 15 11 9 1.091 109.991 -62.63 0.0000
17 O8 Oh S 15 11 9 1.460 109.072 56.72 -0.7390
18 H8O Ho E 17 15 11 0.983 110.254 -72.72 0.4120
19 C9 Cg 3 15 11 9 1.552 112.385 175.84 0.1780
20 H9R H1 E 19 15 11 1.091 109.920 -62.24 0.0000
21 H9S H1 E 19 15 11 1.090 110.169 56.42 0.0000
22 O9 Oh S 19 15 11 1.449 111.722 176.90 -0.6890
23 H9O Ho E 22 19 15 0.965 107.018 49.30 0.4080
24 C5 Cg M 9 8 4 1.544 107.983 67.65 0.3080
25 H5 H1 E 24 9 8 1.092 108.575 62.14 0.0000
26 N5 Ng B 24 9 8 1.484 110.767 -178.16 -0.6290
27 H5N H E 26 24 9 1.007 117.476 80.00 0.2800
28 C5N C B 26 24 9 1.337 123.580 -93.52 0.6320
29 O5N O E 28 26 24 1.228 122.141 0.64 -0.5930
30 CME Cg 3 28 26 24 1.541 116.316 179.71 -0.0030
31 H1M Hc E 30 28 26 1.091 109.337 -90.47 0.0000
32 H2M Hc E 30 28 26 1.091 109.813 150.00 0.0000
33 H3M Hc E 30 28 26 1.092 110.905 29.98 0.0000
34 C4 Cg M 24 9 8 1.560 108.513 -55.53 0.3320
35 H4 H1 E 34 24 9 1.091 108.674 -70.08 0.0000
36 C3 Cg B 34 24 9 1.539 113.169 50.35 0.0060
37 H3A Hc E 36 34 24 1.094 108.947 71.64 0.0000
38 H3E Hc E 36 34 24 1.092 110.387 -172.94 0.0000
39 O4 Os M 34 24 9 1.451 110.232 171.69 -0.5410
LOOP
C3 C2
DONE
4sB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 C5 Cg 3 11 8 4 1.555 110.759 -54.06 0.5230
14 H5 H1 E 13 11 8 1.092 108.107 -66.49 0.0000
15 C6 Cg 3 13 11 8 1.541 110.257 52.78 -0.0080
16 H6 H1 E 15 13 11 1.092 107.098 63.94 0.0000
17 C7 Cg 3 15 13 11 1.547 117.009 -177.41 0.2780
18 H7 H1 E 17 15 13 1.091 107.450 -69.59 0.0000
19 C8 Cg 3 17 15 13 1.556 114.439 170.69 0.3670
20 H8 H1 E 19 17 15 1.091 109.577 -68.20 0.0000
21 C9 Cg 3 19 17 15 1.547 112.389 170.25 0.2010
22 H9R H1 E 21 19 17 1.091 110.087 -60.19 0.0000
23 H9S H1 E 21 19 17 1.090 110.247 58.95 0.0000
24 O9 Oh S 21 19 17 1.445 110.971 179.23 -0.6720
25 H9O Ho E 24 21 19 0.965 106.904 44.06 0.3930
26 O8 Oh S 19 17 15 1.460 109.033 50.18 -0.7040
27 H8O Ho E 26 19 17 0.967 107.039 -66.84 0.3920
28 O7 Oh S 17 15 13 1.449 109.778 46.77 -0.6560
29 H7O Ho E 28 17 15 0.974 109.644 -69.17 0.3900
30 O6 Oy E 15 13 11 1.443 109.363 -52.05 -0.3440
31 N5 Ng B 13 11 8 1.475 109.895 173.79 -0.6690
32 H5N H E 31 13 11 1.005 117.089 -42.64 0.2610
33 C5N C B 31 13 11 1.332 123.259 141.20 0.6780
34 CME Cg 3 33 31 13 1.541 116.623 -176.07 -0.0050
35 H1M Hc E 34 33 31 1.091 109.699 -143.39 0.0000
36 H2M Hc E 34 33 31 1.091 109.294 97.18 0.0000
37 H3M Hc E 34 33 31 1.092 111.130 -23.27 0.0000
38 O5N O E 33 31 13 1.226 121.725 3.82 -0.6340
39 O4 Os M 11 8 4 1.460 108.780 -177.65 -0.5180
LOOP
O6 C2
DONE
4tA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Oh S 9 7 6 1.434 108.863 -64.48 -0.6690
13 H6O Ho E 12 9 7 0.960 109.462 -59.57 0.4010
14 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
15 H4 H1 E 14 7 6 1.091 109.540 173.93 0.0000
16 C3 Cg 3 14 7 6 1.543 109.739 53.52 0.1240
17 H3 H1 E 16 14 7 1.091 106.734 65.74 0.0000
18 O3 Oh S 16 14 7 1.439 110.707 -178.75 -0.6870
19 H3O Ho E 18 16 14 0.960 109.479 -176.63 0.4420
20 C2 Cg B 16 14 7 1.545 114.910 -52.34 0.2450
21 H2 H1 E 20 16 14 1.091 109.723 171.12 0.0000
22 O2 Oh S 20 16 14 1.440 110.347 -69.94 -0.6550
23 H2O Ho E 22 20 16 0.960 109.490 -179.95 0.4360
24 O4 Os M 14 7 6 1.443 109.067 -67.36 -0.5080
LOOP
C2 C1
DONE
4tB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 O2 Oh S 6 4 3 1.444 109.193 -100.97 -0.6370
9 H2O Ho E 8 6 4 0.960 109.413 58.90 0.3970
10 C3 Cg M 6 4 3 1.545 108.990 139.13 0.1740
11 H3 H1 E 10 6 4 1.091 106.777 -66.52 0.0000
12 O3 Oh S 10 6 4 1.439 110.677 177.92 -0.6780
13 H3O Ho E 12 10 6 0.960 109.373 -64.24 0.4250
14 C4 Cg M 10 6 4 1.547 114.890 51.64 0.3140
15 H4 H1 E 14 10 6 1.091 109.570 -171.49 0.0000
16 C5 Cg 3 14 10 6 1.547 110.218 -50.96 0.0310
17 H5 H1 E 16 14 10 1.092 107.394 -65.47 0.0000
18 C6 Cg 3 16 14 10 1.535 115.137 174.64 0.3490
19 H61 H1 E 18 16 14 1.090 110.278 53.24 0.0000
20 H62 H1 E 18 16 14 1.091 110.886 -67.01 0.0000
21 O6 Oh S 18 16 14 1.434 108.837 172.73 -0.6660
22 H6O Ho E 21 18 16 0.960 109.430 59.34 0.4060
23 O5 Os E 16 14 10 1.487 109.426 51.66 -0.3540
24 O4 Os M 14 10 6 1.443 110.169 69.26 -0.4070
LOOP
O5 C1
DONE
4tV INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.351 114.839 -132.95 0.4700
5 H1 H1 E 4 3 2 1.090 124.986 34.06 0.0000
6 O5 Os M 4 3 2 1.470 71.584 -66.23 -0.5160
7 C5 Cg M 6 4 3 1.490 117.436 -68.78 0.3010
8 H5 H1 E 7 6 4 1.092 108.176 67.65 0.0000
9 C6 Cg 3 7 6 4 1.530 106.823 -175.86 0.0070
10 H61 Hc E 9 7 6 1.091 111.306 -56.97 0.0000
11 H62 Hc E 9 7 6 1.091 111.681 63.21 0.0000
12 H63 Hc E 9 7 6 1.091 111.485 -176.46 0.0000
13 C4 Cg M 7 6 4 1.553 110.400 -51.43 0.3020
14 H4 H1 E 13 7 6 1.091 109.486 -67.87 0.0000
15 C3 Cg 3 13 7 6 1.535 112.112 53.80 -0.0140
16 H31 Hc E 15 13 7 1.093 110.620 -177.58 0.0000
17 H32 Hc E 15 13 7 1.093 110.093 66.30 0.0000
18 C2 Cg B 15 13 7 1.535 111.168 -54.29 0.1910
19 H2 H1 E 18 15 13 1.091 108.971 171.23 0.0000
20 O2 Oh S 18 15 13 1.451 107.118 -72.88 -0.6720
21 H2O Ho E 20 18 15 0.962 109.923 -70.16 0.4250
22 O4 Os M 13 7 6 1.446 110.075 172.75 -0.4940
LOOP
C2 C1
DONE
4tv INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 42.063 124.523 -153.51 0.4280
5 H1 H1 E 4 3 2 1.091 137.718 140.13 0.0000
6 C2 Cg M 4 3 2 1.543 92.512 17.53 0.2080
7 H2 H1 E 6 4 3 1.091 110.018 85.50 0.0000
8 O2 Oh S 6 4 3 1.442 110.000 -34.21 -0.6440
9 H2O Ho E 8 6 4 0.960 109.465 -179.91 0.4110
10 C3 Cg M 6 4 3 1.538 110.852 -153.13 0.0070
11 H31 Hc E 10 6 4 1.092 110.440 174.77 0.0000
12 H32 Hc E 10 6 4 1.093 108.417 -70.21 0.0000
13 C4 Cg M 10 6 4 1.542 111.976 51.41 0.2960
14 H4 H1 E 13 10 6 1.091 109.168 71.88 0.0000
15 C5 Cg 3 13 10 6 1.544 113.120 -50.24 0.2710
16 H5 H1 E 15 13 10 1.092 109.438 -67.05 0.0000
17 C6 Cg 3 15 13 10 1.530 114.414 170.77 0.0170
18 H61 Hc E 17 15 13 1.091 111.431 62.00 0.0000
19 H62 Hc E 17 15 13 1.091 111.279 -178.53 0.0000
20 H63 Hc E 17 15 13 1.091 111.734 -58.32 0.0000
21 O5 Os E 15 13 10 1.481 108.725 51.10 -0.4960
22 O4 Os M 13 10 6 1.436 107.645 -170.11 -0.4980
LOOP
O5 C1
DONE
4uA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.331 115.066 -133.04 0.3630
5 H1 H2 E 4 3 2 1.090 112.585 40.61 0.0000
6 O5 Os M 4 3 2 1.464 75.208 -64.60 -0.5150
7 C5 Cg M 6 4 3 1.503 115.778 174.97 0.2320
8 H5 H1 E 7 6 4 1.091 106.633 176.67 0.0000
9 C6 C B 7 6 4 1.591 118.545 -64.62 0.6970
10 O6B O2 E 9 7 6 1.255 117.111 177.25 -0.7570
11 O6A O2 E 9 7 6 1.252 118.306 0.19 -0.7570
12 C4 Cg M 7 6 4 1.541 106.777 61.95 0.2230
13 H4 H1 E 12 7 6 1.092 108.348 60.65 0.0000
14 C3 Cg 3 12 7 6 1.551 110.331 -57.99 0.4170
15 H3 H1 E 14 12 7 1.092 108.572 -66.35 0.0000
16 O3 Oh S 14 12 7 1.454 107.203 176.93 -0.7710
17 H3O Ho E 16 14 12 0.966 105.279 42.17 0.4170
18 C2 Cg B 14 12 7 1.555 113.490 54.77 0.2590
19 H2 H1 E 18 14 12 1.092 108.782 71.56 0.0000
20 O2 Oh S 18 14 12 1.469 110.384 -169.42 -0.6850
21 H2O Ho E 20 18 14 0.960 110.184 53.77 0.3850
22 O4 Os M 12 7 6 1.461 110.851 178.69 -0.5080
LOOP
C2 C1
DONE
4uB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.227 114.589 -133.46 0.2780
5 H1 H2 E 4 3 2 1.090 72.253 -57.04 0.0000
6 C2 Cg M 4 3 2 1.557 131.485 -157.03 0.2890
7 H2 H1 E 6 4 3 1.091 107.118 137.49 0.0000
8 O2 Oh S 6 4 3 1.455 112.599 20.48 -0.6800
9 H2O Ho E 8 6 4 0.964 105.470 -160.22 0.4220
10 C3 Cg M 6 4 3 1.545 111.752 -104.72 0.2860
11 H3 H1 E 10 6 4 1.091 110.248 64.55 0.0000
12 O3 Oh S 10 6 4 1.460 109.228 -175.94 -0.7550
13 H3O Ho E 12 10 6 0.968 105.498 164.14 0.4210
14 C4 Cg M 10 6 4 1.552 109.635 -56.61 0.3080
15 H4 H1 E 14 10 6 1.092 107.907 -61.83 0.0000
16 C5 Cg 3 14 10 6 1.546 112.015 56.37 0.1940
17 H5 H1 E 16 14 10 1.091 107.278 -167.70 0.0000
18 C6 C B 16 14 10 1.581 111.637 77.65 0.7500
19 O6A O2 E 18 16 14 1.252 117.516 -129.70 -0.7830
20 O6B O2 E 18 16 14 1.255 117.682 48.62 -0.7830
21 O5 Os E 16 14 10 1.512 108.685 -52.87 -0.4300
22 O4 Os M 14 10 6 1.456 110.245 -178.60 -0.5170
LOOP
O5 C1
DONE
4vA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.287 114.935 -133.03 0.3890
5 H1 H2 E 4 3 2 1.090 123.196 38.74 0.0000
6 O5 Os M 4 3 2 1.470 74.128 -62.95 -0.4660
7 C5 Cg M 6 4 3 1.497 117.776 -69.87 0.1120
8 H5 H1 E 7 6 4 1.091 107.067 65.15 0.0000
9 C6 Cg 3 7 6 4 1.543 110.655 -179.51 0.3620
10 H61 H1 E 9 7 6 1.090 109.608 -176.18 0.0000
11 H62 H1 E 9 7 6 1.090 110.167 -57.43 0.0000
12 O6 Oh S 9 7 6 1.435 111.052 63.47 -0.7110
13 H6O Ho E 12 9 7 0.972 106.687 28.27 0.4240
14 C4 Cg M 7 6 4 1.548 110.914 -51.03 0.3260
15 H4 H1 E 14 7 6 1.091 109.088 172.26 0.0000
16 C3 Cg 3 14 7 6 1.547 111.081 51.89 0.1760
17 H3 H1 E 16 14 7 1.091 107.961 63.63 0.0000
18 O3 Oh S 16 14 7 1.462 109.029 179.93 -0.6780
19 H3O Ho E 18 16 14 0.964 110.475 -178.25 0.4250
20 C2 Cg B 16 14 7 1.551 111.657 -55.51 0.3990
21 H2 H1 E 20 16 14 1.092 107.862 -63.61 0.0000
22 N2 Ng B 20 16 14 1.483 110.775 178.49 -0.5950
23 H2N H E 22 20 16 1.007 117.335 -40.12 0.2380
24 C2N C B 22 20 16 1.336 122.570 153.82 0.6250
25 O2N O E 24 22 20 1.227 121.897 -4.65 -0.6050
26 CME Cg 3 24 22 20 1.541 116.317 175.68 0.0320
27 H1M Hc E 26 24 22 1.091 109.644 69.76 0.0000
28 H2M Hc E 26 24 22 1.091 110.181 -170.34 0.0000
29 H3M Hc E 26 24 22 1.091 110.069 -50.52 0.0000
30 O4 Os M 14 7 6 1.450 110.237 -68.94 -0.4530
LOOP
C2 C1
DONE
4vB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.231 114.893 -133.39 0.3050
5 H1 H2 E 4 3 2 1.091 65.505 -67.74 0.0000
6 C2 Cg M 4 3 2 1.568 137.512 -160.40 0.5440
7 H2 H1 E 6 4 3 1.091 107.972 -101.23 0.0000
8 N2 Ng B 6 4 3 1.481 111.069 18.97 -0.6860
9 H2N H E 8 6 4 1.005 118.080 45.86 0.2540
10 C2N C B 8 6 4 1.336 122.747 -132.36 0.5860
11 CME Cg 3 10 8 6 1.543 116.272 -179.61 0.0560
12 H1M Hc E 11 10 8 1.091 109.419 84.79 0.0000
13 H2M Hc E 11 10 8 1.091 109.982 -155.53 0.0000
14 H3M Hc E 11 10 8 1.092 110.645 -35.56 0.0000
15 O2N O E 10 8 6 1.227 122.402 -0.23 -0.5640
16 C3 Cg M 6 4 3 1.558 108.807 140.94 0.1520
17 H3 H1 E 16 6 4 1.092 108.105 -63.18 0.0000
18 O3 Oh S 16 6 4 1.462 113.219 178.26 -0.6650
19 H3O Ho E 18 16 6 0.963 111.335 152.35 0.4150
20 C4 Cg M 16 6 4 1.544 111.369 55.44 0.2530
21 H4 H1 E 20 16 6 1.091 109.237 -177.04 0.0000
22 C5 Cg 3 20 16 6 1.544 111.265 -56.32 0.1360
23 H5 H1 E 22 20 16 1.092 107.572 -64.67 0.0000
24 C6 Cg 3 22 20 16 1.539 112.869 176.15 0.3530
25 H61 H1 E 24 22 20 1.091 110.331 53.32 0.0000
26 H62 H1 E 24 22 20 1.090 110.929 -67.00 0.0000
27 O6 Oh S 24 22 20 1.436 108.896 172.76 -0.7140
28 H6O Ho E 27 24 22 0.962 107.704 58.75 0.4270
29 O5 Os E 22 20 16 1.495 110.300 52.85 -0.4080
30 O4 Os M 20 16 6 1.445 108.904 64.66 -0.4440
LOOP
O5 C1
DONE
4wA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.378 115.021 -132.94 0.4621
5 H1 H2 E 4 3 2 1.090 120.003 38.85 0.0000
6 O5 Os M 4 3 2 1.469 73.200 -63.39 -0.5415
7 C5 Cg M 6 4 3 1.495 117.898 -69.31 0.2421
8 H5 H1 E 7 6 4 1.092 106.799 68.49 0.0000
9 C6 Cg 3 7 6 4 1.545 109.924 -175.74 0.2995
10 H61 H1 E 9 7 6 1.090 109.924 -166.49 0.0000
11 H62 H1 E 9 7 6 1.090 109.575 -48.28 0.0000
12 O6 Oh S 9 7 6 1.443 112.033 72.71 -0.6618
13 H6O Ho E 12 9 7 0.961 109.813 82.79 0.3959
14 C4 Cg M 7 6 4 1.547 111.317 -49.02 0.3213
15 H4 H1 E 14 7 6 1.091 109.249 -73.83 0.0000
16 C3 Cg 3 14 7 6 1.550 112.664 46.63 0.2520
17 H3 H1 E 16 14 7 1.091 108.491 68.12 0.0000
18 O3 Oh S 16 14 7 1.455 109.482 -174.62 -0.6987
19 H3O Ho E 18 16 14 0.965 109.543 -47.09 0.4159
20 C2 Cg B 16 14 7 1.549 112.400 -51.61 0.2750
21 H2 H1 E 20 16 14 1.092 108.473 171.95 0.0000
22 N2 Ng B 20 16 14 1.482 111.789 -70.12 -0.4751
23 H2N H E 22 20 16 1.007 117.562 12.93 0.2142
24 C2N C B 22 20 16 1.336 123.787 -162.76 0.5909
25 O2N O E 24 22 20 1.229 122.265 -3.32 -0.5757
26 CME Cg 3 24 22 20 1.539 115.681 177.62 -0.0340
27 H1M Hc E 26 24 22 1.091 109.868 -60.00 0.0000
28 H2M Hc E 26 24 22 1.091 110.252 -179.93 0.0000
29 H3M Hc E 26 24 22 1.091 109.810 60.19 0.0000
30 O4 Os M 14 7 6 1.458 108.618 168.10 -0.4821
LOOP
C2 C1
DONE
4wB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.322 114.834 -133.45 0.3870
5 H1 H2 E 4 3 2 1.091 67.634 -69.01 0.0000
6 C2 Cg M 4 3 2 1.557 139.933 -164.47 0.2940
7 H2 H1 E 6 4 3 1.092 107.791 25.05 0.0000
8 N2 Ng B 6 4 3 1.485 112.591 -94.31 -0.5580
9 H2N H E 8 6 4 1.007 117.378 -30.20 0.2650
10 C2N C B 8 6 4 1.337 123.528 147.74 0.5850
11 CME Cg 3 10 8 6 1.544 116.722 -177.13 0.0560
12 H1M Hc E 11 10 8 1.090 109.199 -104.92 0.0000
13 H2M Hc E 11 10 8 1.091 109.840 135.47 0.0000
14 H3M Hc E 11 10 8 1.092 111.211 15.23 0.0000
15 O2N O E 10 8 6 1.229 121.350 4.57 -0.6000
16 C3 Cg M 6 4 3 1.550 108.254 141.57 0.2170
17 H3 H1 E 16 6 4 1.092 107.807 -64.62 0.0000
18 O3 Oh S 16 6 4 1.458 111.031 177.66 -0.6580
19 H3O Ho E 18 16 6 0.972 110.221 24.88 0.4130
20 C4 Cg M 16 6 4 1.551 112.012 54.98 0.2770
21 H4 H1 E 20 16 6 1.092 109.220 68.41 0.0000
22 C5 Cg 3 20 16 6 1.549 111.754 -52.70 0.3210
23 H5 H1 E 22 20 16 1.092 108.891 -67.49 0.0000
24 C6 Cg 3 22 20 16 1.542 112.546 172.10 0.2470
25 H61 H1 E 24 22 20 1.090 110.437 60.16 0.0000
26 H62 H1 E 24 22 20 1.091 110.098 -59.35 0.0000
27 O6 Oh S 24 22 20 1.442 110.379 -179.51 -0.6630
28 H6O Ho E 27 24 22 0.962 108.929 56.35 0.4130
29 O5 Os E 22 20 16 1.498 109.860 50.66 -0.4980
30 O4 Os M 20 16 6 1.447 108.869 -173.07 -0.4980
LOOP
O5 C1
DONE
4xA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.412 115.134 -132.97 0.4820
5 H1 H2 E 4 3 2 1.090 123.148 41.70 0.0000
6 O5 Os M 4 3 2 1.463 72.514 -59.75 -0.5880
7 C5 Cg M 6 4 3 1.489 117.248 -67.03 0.3350
8 H5A H1 E 7 6 4 1.091 108.858 68.16 0.0000
9 H5E H1 E 7 6 4 1.090 108.909 -174.49 0.0000
10 C4 Cg M 7 6 4 1.539 111.025 -53.24 0.2470
11 H4 H1 E 10 7 6 1.091 108.937 -68.60 0.0000
12 C3 Cg 3 10 7 6 1.547 110.634 51.97 0.3590
13 H3 H1 E 12 10 7 1.092 109.703 67.85 0.0000
14 O3 Oh S 12 10 7 1.451 108.617 -173.43 -0.7120
15 H3O Ho E 14 12 10 0.966 107.240 165.38 0.4210
16 C2 Cg B 12 10 7 1.543 112.192 -53.97 0.1970
17 H2 H1 E 16 12 10 1.091 108.478 -65.50 0.0000
18 O2 Oh S 16 12 10 1.464 110.541 176.58 -0.6560
19 H2O Ho E 18 16 12 0.967 109.241 -84.85 0.4090
20 O4 Os M 10 7 6 1.453 108.593 173.08 -0.4940
LOOP
C2 C1
DONE
4xB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.464 114.825 -132.75 0.2480
5 H1 H2 E 4 3 2 1.091 66.134 -66.21 0.0000
6 C2 Cg M 4 3 2 1.557 136.744 -161.60 0.4250
7 H2 H1 E 6 4 3 1.092 109.351 -93.35 0.0000
8 O2 Oh S 6 4 3 1.452 109.095 25.68 -0.6990
9 H2O Ho E 8 6 4 0.965 106.939 -49.61 0.3980
10 C3 Cg M 6 4 3 1.547 111.138 145.56 0.2280
11 H3 H1 E 10 6 4 1.092 109.005 -68.97 0.0000
12 O3 Oh S 10 6 4 1.458 109.994 172.23 -0.6820
13 H3O Ho E 12 10 6 0.967 108.169 55.63 0.4270
14 C4 Cg M 10 6 4 1.546 111.370 51.34 0.2860
15 H4 H1 E 14 10 6 1.091 109.653 67.94 0.0000
16 C5 Cg 3 14 10 6 1.541 111.571 -53.00 0.3030
17 H5A H1 E 16 14 10 1.092 110.518 -66.11 0.0000
18 H5E H1 E 16 14 10 1.090 110.176 174.39 0.0000
19 O5 Os E 16 14 10 1.482 109.795 54.26 -0.4470
20 O4 Os M 14 10 6 1.447 109.213 -172.90 -0.4870
LOOP
O5 C1
DONE
4yA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.337 115.005 -132.87 0.4680
5 H1 H2 E 4 3 2 1.090 120.341 36.84 0.0000
6 O5 Os M 4 3 2 1.463 68.163 -62.20 -0.5680
7 C5 Cg M 6 4 3 1.500 118.098 -74.28 0.2460
8 H5 H1 E 7 6 4 1.092 107.019 68.26 0.0000
9 C6 Cg 3 7 6 4 1.544 110.054 -175.47 0.3280
10 H61 H1 E 9 7 6 1.090 109.603 -54.04 0.0000
11 H62 H1 E 9 7 6 1.090 110.073 -172.40 0.0000
12 O6 Oh S 9 7 6 1.444 111.701 66.58 -0.6880
13 H6O Ho E 12 9 7 0.960 109.460 -179.56 0.4210
14 C4 Cg M 7 6 4 1.544 111.305 -49.64 0.3220
15 H4 H1 E 14 7 6 1.091 109.775 -72.41 0.0000
16 C3 Cg 3 14 7 6 1.546 112.523 49.14 0.1650
17 H3 H1 E 16 14 7 1.092 109.255 68.91 0.0000
18 O3 Oh S 16 14 7 1.457 108.091 -173.19 -0.6300
19 H3O Ho E 18 16 14 0.977 109.893 135.62 0.4130
20 C2 Cg B 16 14 7 1.547 112.211 -51.74 0.2450
21 H2 H1 E 20 16 14 1.092 107.659 -66.49 0.0000
22 N2 Ng B 20 16 14 1.486 111.285 175.94 -0.5520
23 H2N H E 22 20 16 1.009 115.982 -94.71 0.2360
24 C2N C B 22 20 16 1.338 124.714 81.84 0.5880
25 O2N O E 24 22 20 1.228 121.379 -4.88 -0.5790
26 CME Cg 3 24 22 20 1.544 117.110 175.73 0.0630
27 H1M Hc E 26 24 22 1.090 109.379 118.32 0.0000
28 H2M Hc E 26 24 22 1.091 109.387 -122.31 0.0000
29 H3M Hc E 26 24 22 1.092 111.363 -2.06 0.0000
30 O4 Os M 14 7 6 1.448 108.615 168.54 -0.4780
LOOP
C2 C1
DONE
4yB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.305 114.875 -133.41 0.2870
5 H1 H2 E 4 3 2 1.091 64.963 -66.48 0.0000
6 C2 Cg M 4 3 2 1.566 139.050 -158.60 0.4800
7 H2 H1 E 6 4 3 1.092 107.602 -101.85 0.0000
8 N2 Ng B 6 4 3 1.484 111.108 18.10 -0.7220
9 H2N H E 8 6 4 1.006 117.592 43.53 0.3000
10 C2N C B 8 6 4 1.336 123.143 -126.00 0.6480
11 CME Cg 3 10 8 6 1.542 116.434 175.43 0.0340
12 H1M Hc E 11 10 8 1.091 109.335 82.58 0.0000
13 H2M Hc E 11 10 8 1.091 110.076 -157.79 0.0000
14 H3M Hc E 11 10 8 1.092 110.630 -37.74 0.0000
15 O2N O E 10 8 6 1.226 122.116 -6.61 -0.5760
16 C3 Cg M 6 4 3 1.555 109.532 140.96 0.1800
17 H3 H1 E 16 6 4 1.092 108.635 -66.15 0.0000
18 O3 Oh S 16 6 4 1.462 112.173 174.68 -0.6810
19 H3O Ho E 18 16 6 0.964 110.728 66.33 0.4230
20 C4 Cg M 16 6 4 1.547 110.847 53.41 0.3020
21 H4 H1 E 20 16 6 1.092 109.529 65.76 0.0000
22 C5 Cg 3 20 16 6 1.542 111.743 -55.82 0.2080
23 H5 H1 E 22 20 16 1.092 109.079 -62.53 0.0000
24 C6 Cg 3 22 20 16 1.540 112.556 176.83 0.2890
25 H61 H1 E 24 22 20 1.090 110.526 60.82 0.0000
26 H62 H1 E 24 22 20 1.091 110.298 -59.01 0.0000
27 O6 Oh S 24 22 20 1.439 109.712 -179.18 -0.6890
28 H6O Ho E 27 24 22 0.961 108.379 54.80 0.4240
29 O5 Os E 22 20 16 1.493 108.679 55.34 -0.4330
30 O4 Os M 20 16 6 1.444 108.505 -175.54 -0.4740
LOOP
O5 C1
DONE
4zA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.493 117.276 -129.39 0.3980
5 H1 H2 E 4 3 2 1.090 32.570 152.52 0.0000
6 O5 Os M 4 3 2 1.458 108.055 55.77 -0.5440
7 C5 Cg M 6 4 3 1.515 118.156 -151.21 0.1870
8 H5 H1 E 7 6 4 1.092 105.702 62.73 0.0000
9 C6 C B 7 6 4 1.597 117.705 178.26 0.7980
10 O6B O2 E 9 7 6 1.252 118.424 -16.19 -0.7870
11 O6A O2 E 9 7 6 1.259 117.589 166.79 -0.7870
12 C4 Cg M 7 6 4 1.550 110.155 -52.17 0.1930
13 H4 H1 E 12 7 6 1.091 108.479 -74.33 0.0000
14 C3 Cg 3 12 7 6 1.555 113.190 47.11 0.3000
15 H3 H1 E 14 12 7 1.092 108.970 72.43 0.0000
16 O3 Oh S 14 12 7 1.458 110.360 -168.45 -0.7430
17 H3O Ho E 16 14 12 0.962 107.044 172.72 0.4390
18 C2 Cg B 14 12 7 1.547 112.948 -48.46 0.3260
19 H2 H1 E 18 14 12 1.091 108.371 -69.20 0.0000
20 O2 Oh S 18 14 12 1.467 110.467 172.90 -0.7320
21 H2O Ho E 20 18 14 0.965 107.076 -83.83 0.4060
22 O4 Os M 12 7 6 1.452 107.400 168.29 -0.4540
LOOP
C2 C1
DONE
4zB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 115.039 -133.39 0.2510
5 H1 H2 E 4 3 2 1.091 63.566 -66.62 0.0000
6 C2 Cg M 4 3 2 1.556 136.448 -159.63 0.4110
7 H2 H1 E 6 4 3 1.092 109.113 -96.54 0.0000
8 O2 Oh S 6 4 3 1.458 107.250 21.17 -0.7400
9 H2O Ho E 8 6 4 0.962 106.072 -51.06 0.4220
10 C3 Cg M 6 4 3 1.551 111.345 142.85 0.2660
11 H3 H1 E 10 6 4 1.092 108.729 -71.83 0.0000
12 O3 Oh S 10 6 4 1.459 111.009 168.82 -0.7010
13 H3O Ho E 12 10 6 0.966 105.666 -171.43 0.4030
14 C4 Cg M 10 6 4 1.552 112.291 48.56 0.2670
15 H4 H1 E 14 10 6 1.092 109.244 70.35 0.0000
16 C5 Cg 3 14 10 6 1.542 113.280 -50.40 0.0750
17 H5 H1 E 16 14 10 1.092 107.974 -63.51 0.0000
18 C6 C B 16 14 10 1.584 111.106 -178.60 0.8930
19 O6A O2 E 18 16 14 1.252 118.262 -140.20 -0.8180
20 O6B O2 E 18 16 14 1.258 117.333 41.17 -0.8180
21 O5 Os E 16 14 10 1.502 108.303 51.87 -0.4130
22 O4 Os M 14 10 6 1.449 108.610 -171.54 -0.4980
LOOP
O5 C1
DONE
5AD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.564 98.659 -135.87 0.3680
5 H1 H2 E 4 3 2 1.090 144.009 -170.21 0.0000
6 C2 Cg M 4 3 2 1.632 104.217 14.88 0.2780
7 H2 H1 E 6 4 3 1.092 109.712 54.58 0.0000
8 O2 Oh S 6 4 3 1.459 111.670 174.46 -0.6880
9 H2O Ho E 8 6 4 0.962 111.196 52.33 0.4300
10 C3 Cg M 6 4 3 1.638 107.428 -64.48 0.3700
11 H3 H1 E 10 6 4 1.091 109.719 -115.23 0.0000
12 O3 Oh S 10 6 4 1.445 110.901 124.99 -0.7030
13 H3O Ho E 12 10 6 0.962 109.189 61.81 0.4040
14 C4 Cg M 10 6 4 1.617 107.830 4.89 0.1470
15 H4 H1 E 14 10 6 1.091 109.995 109.41 0.0000
16 O4 Os E 14 10 6 1.585 105.385 -6.88 -0.4530
17 C5 Cg M 14 10 6 1.531 113.111 -128.33 0.3380
18 H52 H1 E 17 14 10 1.090 110.286 -56.49 0.0000
19 H51 H1 E 17 14 10 1.090 110.161 -176.14 0.0000
20 O5 Os M 17 14 10 1.438 109.271 63.95 -0.4910
LOOP
O4 C1
DONE
5AU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.667 98.632 -136.10 0.4770
5 H1 H2 E 4 3 2 1.090 95.669 -91.76 0.0000
6 O4 Os M 4 3 2 1.559 125.393 147.34 -0.5320
7 C4 Cg M 6 4 3 1.592 113.400 -118.27 0.3270
8 H4 H1 E 7 6 4 1.091 108.372 -116.19 0.0000
9 C3 Cg 3 7 6 4 1.623 104.988 1.35 0.2150
10 H3 H1 E 9 7 6 1.091 109.455 110.64 0.0000
11 O3 Oh S 9 7 6 1.449 110.805 -129.50 -0.7280
12 H3O Ho E 11 9 7 0.965 109.557 -174.52 0.4370
13 C2 Cg B 9 7 6 1.636 107.636 -8.35 0.3280
14 H2 H1 E 13 9 7 1.091 108.941 -103.94 0.0000
15 O2 Oh S 13 9 7 1.456 110.454 137.54 -0.7210
16 H2O Ho E 15 13 9 0.967 108.079 -107.31 0.4170
17 C5 Cg M 7 6 4 1.536 109.955 123.86 0.2270
18 H52 H1 E 17 7 6 1.090 110.003 -58.66 0.0000
19 H51 H1 E 17 7 6 1.090 110.273 -178.18 0.0000
20 O5 Os M 17 7 6 1.440 109.976 61.40 -0.4470
LOOP
C2 C1
DONE
5BA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.626 99.556 -130.20 0.1300
5 C1 Cg 3 4 3 2 1.560 35.236 112.47 0.4280
6 H12 H1 E 5 4 3 1.091 110.098 -13.70 0.0000
7 H11 H1 E 5 4 3 1.090 109.813 104.72 0.0000
8 O1 Oh S 5 4 3 1.443 112.003 -134.19 -0.6780
9 H1O Ho E 8 5 4 0.961 107.457 73.22 0.3990
10 C3 Cg M 4 3 2 1.559 106.735 7.30 0.3720
11 H3 H1 E 10 4 3 1.092 108.445 98.55 0.0000
12 O3 Oh S 10 4 3 1.456 111.120 -18.72 -0.7160
13 H3O Ho E 12 10 4 0.964 107.033 -168.33 0.4300
14 C4 Cg M 10 4 3 1.548 110.877 -143.81 0.3350
15 H4 H1 E 14 10 4 1.092 109.910 62.48 0.0000
16 O4 Oh S 14 10 4 1.461 109.578 -178.37 -0.7240
17 H4O Ho E 16 14 10 0.964 108.580 -150.69 0.4210
18 C5 Cg M 14 10 4 1.550 109.394 -58.65 0.2240
19 H5 H1 E 18 14 10 1.091 109.416 -64.57 0.0000
20 C6 Cg 3 18 14 10 1.544 111.673 55.39 0.3410
21 H6E H1 E 20 18 14 1.090 110.000 -171.23 0.0000
22 H6A H1 E 20 18 14 1.091 110.069 70.07 0.0000
23 O6 Os E 20 18 14 1.491 111.103 -50.56 -0.5070
24 O5 Os M 18 14 10 1.455 110.457 176.19 -0.4550
LOOP
O6 C2
DONE
5BB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.404 98.269 -136.13 0.2270
5 C1 Cg 3 4 3 2 1.563 64.474 -94.95 0.2810
6 H12 H1 E 5 4 3 1.091 110.325 40.86 0.0000
7 H11 H1 E 5 4 3 1.090 110.121 159.57 0.0000
8 O1 Oh S 5 4 3 1.444 111.743 -80.01 -0.6260
9 H1O Ho E 8 5 4 0.960 109.452 179.75 0.3950
10 O6 Os M 4 3 2 1.482 134.628 169.57 -0.4770
11 C6 Cg M 10 4 3 1.485 116.916 144.77 0.3110
12 H6E H1 E 11 10 4 1.090 109.104 176.90 0.0000
13 H6A H1 E 11 10 4 1.091 109.162 -65.19 0.0000
14 C5 Cg M 11 10 4 1.543 109.751 56.11 0.3400
15 H5 H1 E 14 11 10 1.091 108.952 69.35 0.0000
16 C4 Cg 3 14 11 10 1.545 112.662 -52.43 0.1080
17 H4 H1 E 16 14 11 1.092 109.257 -67.90 0.0000
18 O4 Oh S 16 14 11 1.460 109.081 173.87 -0.6750
19 H4O Ho E 18 16 14 0.968 108.634 -176.45 0.4350
20 C3 Cg B 16 14 11 1.550 110.670 52.18 0.4640
21 H3 H1 E 20 16 14 1.092 108.385 68.01 0.0000
22 O3 Oh S 20 16 14 1.453 108.659 -174.74 -0.7300
23 H3O Ho E 22 20 16 0.965 106.403 -179.38 0.4320
24 O5 Os M 14 11 10 1.444 108.793 -172.08 -0.4850
LOOP
C3 C2
DONE
5CA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.591 99.421 -130.21 0.3450
5 C1 Cg 3 4 3 2 1.567 41.168 109.23 0.3860
6 H12 H1 E 5 4 3 1.091 109.446 -31.55 0.0000
7 H11 H1 E 5 4 3 1.091 110.132 86.62 0.0000
8 O1 Oh S 5 4 3 1.446 112.801 -152.28 -0.6960
9 H1O Ho E 8 5 4 0.968 106.626 39.29 0.4020
10 C3 Cg M 4 3 2 1.575 105.291 0.80 0.2470
11 H3 H1 E 10 4 3 1.092 108.668 -30.87 0.0000
12 O3 Oh S 10 4 3 1.466 111.567 86.40 -0.6550
13 H3O Ho E 12 10 4 0.965 109.737 -159.40 0.4060
14 C4 Cg M 10 4 3 1.551 113.411 -152.18 0.3670
15 H4 H1 E 14 10 4 1.091 108.797 -167.01 0.0000
16 O4 Oh S 14 10 4 1.450 110.082 76.05 -0.7200
17 H4O Ho E 16 14 10 0.965 107.347 -174.93 0.3940
18 C5 Cg M 14 10 4 1.544 112.343 -46.95 0.1950
19 H5 H1 E 18 14 10 1.091 108.612 -61.32 0.0000
20 C6 Cg 3 18 14 10 1.538 109.577 57.29 0.4370
21 H6E H1 E 20 18 14 1.090 109.936 -178.47 0.0000
22 H6A H1 E 20 18 14 1.091 110.981 62.19 0.0000
23 O6 Os E 20 18 14 1.483 109.646 -58.96 -0.6200
24 O5 Os M 18 14 10 1.462 110.821 -179.28 -0.4880
LOOP
O6 C2
DONE
5CB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.453 98.094 -136.06 0.2440
5 C1 Cg 3 4 3 2 1.563 63.216 -96.90 0.2970
6 H12 H1 E 5 4 3 1.091 110.065 46.56 0.0000
7 H11 H1 E 5 4 3 1.088 110.800 165.58 0.0000
8 O1 Oh S 5 4 3 1.447 111.733 -74.36 -0.6690
9 H1O Ho E 8 5 4 0.961 109.456 -178.60 0.4010
10 O6 Os M 4 3 2 1.480 134.325 169.15 -0.4600
11 C6 Cg M 10 4 3 1.482 117.080 144.78 0.3650
12 H6E H1 E 11 10 4 1.090 108.978 178.11 0.0000
13 H6A H1 E 11 10 4 1.091 109.532 -63.87 0.0000
14 C5 Cg M 11 10 4 1.539 109.460 57.67 0.1950
15 H5 H1 E 14 11 10 1.091 107.780 64.61 0.0000
16 C4 Cg 3 14 11 10 1.549 112.024 -54.46 0.3440
17 H4 H1 E 16 14 11 1.091 108.628 172.57 0.0000
18 O4 Oh S 16 14 11 1.459 109.986 -70.35 -0.6980
19 H4O Ho E 18 16 14 0.964 108.929 -144.70 0.4170
20 C3 Cg B 16 14 11 1.551 111.995 51.70 0.3170
21 H3 H1 E 20 16 14 1.091 109.680 -170.27 0.0000
22 O3 Oh S 20 16 14 1.453 106.815 73.47 -0.6970
23 H3O Ho E 22 20 16 0.968 105.774 -153.52 0.4070
24 O5 Os M 14 11 10 1.457 110.279 -178.31 -0.4630
LOOP
C3 C2
DONE
5DD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.439 98.549 -135.93 0.3800
5 H1 H1 E 4 3 2 1.090 138.129 177.38 0.0000
6 C2 Cg M 4 3 2 1.631 107.390 17.90 0.2290
7 H2 H1 E 6 4 3 1.091 108.957 30.09 0.0000
8 O2 Oh S 6 4 3 1.459 112.707 149.62 -0.6510
9 H2O Ho E 8 6 4 0.964 109.258 -67.04 0.4110
10 C3 Cg M 6 4 3 1.641 106.976 -85.59 0.2980
11 H3 H1 E 10 6 4 1.090 111.055 137.68 0.0000
12 O3 Oh S 10 6 4 1.446 108.928 -102.08 -0.6780
13 H3O Ho E 12 10 6 0.969 106.468 -24.27 0.4170
14 C4 Cg M 10 6 4 1.624 106.916 15.94 0.1890
15 H4 H1 E 14 10 6 1.091 107.278 99.07 0.0000
16 O4 Os E 14 10 6 1.588 104.960 -15.19 -0.4230
17 C5 Cg M 14 10 6 1.537 117.355 -138.29 0.3050
18 H52 H1 E 17 14 10 1.090 110.349 -57.47 0.0000
19 H51 H1 E 17 14 10 1.090 110.600 62.82 0.0000
20 O5 Os M 17 14 10 1.438 108.908 -177.29 -0.4770
LOOP
O4 C1
DONE
5DU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.520 -135.68 0.4360
5 H1 H2 E 4 3 2 1.090 44.078 -112.04 0.0000
6 O4 Os M 4 3 2 1.554 137.950 -176.42 -0.5170
7 C4 Cg M 6 4 3 1.588 113.584 155.63 0.1350
8 H4 H1 E 7 6 4 1.091 108.738 -120.59 0.0000
9 C3 Cg 3 7 6 4 1.620 104.668 -4.25 0.3000
10 H3 H1 E 9 7 6 1.091 107.749 -104.45 0.0000
11 O3 Oh S 9 7 6 1.446 112.944 136.27 -0.6420
12 H3O Ho E 11 9 7 0.970 106.239 -112.71 0.4050
13 C2 Cg B 9 7 6 1.642 107.806 11.75 0.2840
14 H2 H1 E 13 9 7 1.089 110.775 -134.90 0.0000
15 O2 Oh S 13 9 7 1.464 109.295 105.12 -0.6800
16 H2O Ho E 15 13 9 0.969 107.470 -139.03 0.4070
17 C5 Cg M 7 6 4 1.542 110.504 119.77 0.3730
18 H52 H1 E 17 7 6 1.091 110.456 -60.02 0.0000
19 H51 H1 E 17 7 6 1.090 109.887 -179.59 0.0000
20 O5 Os M 17 7 6 1.439 110.322 60.67 -0.5010
LOOP
C2 C1
DONE
5JA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.611 99.408 -130.23 0.1140
5 C1 Cg 3 4 3 2 1.562 33.359 109.85 0.4100
6 H12 H1 E 5 4 3 1.091 109.780 -32.30 0.0000
7 H11 H1 E 5 4 3 1.091 110.432 86.63 0.0000
8 O1 Oh S 5 4 3 1.437 111.258 -152.64 -0.6560
9 H1O Ho E 8 5 4 0.970 105.489 31.79 0.4050
10 C3 Cg M 4 3 2 1.561 108.078 4.40 0.2710
11 H3 H1 E 10 4 3 1.091 109.484 -29.48 0.0000
12 O3 Oh S 10 4 3 1.458 110.234 89.20 -0.6540
13 H3O Ho E 12 10 4 0.966 107.634 165.84 0.4250
14 C4 Cg M 10 4 3 1.550 111.054 -149.95 0.2810
15 H4 H1 E 14 10 4 1.091 108.892 64.55 0.0000
16 O4 Oh S 14 10 4 1.460 109.496 -177.99 -0.6720
17 H4O Ho E 16 14 10 0.964 109.388 -81.32 0.4130
18 C5 Cg M 14 10 4 1.547 111.417 -55.51 0.2730
19 H5 H1 E 18 14 10 1.091 109.946 -64.34 0.0000
20 C6 Cg 3 18 14 10 1.541 110.532 56.44 0.3680
21 H6E H1 E 20 18 14 1.090 110.023 -172.59 0.0000
22 H6A H1 E 20 18 14 1.091 109.951 68.78 0.0000
23 O6 Os E 20 18 14 1.489 111.422 -51.66 -0.5040
24 O5 Os M 18 14 10 1.453 109.662 176.22 -0.4740
LOOP
O6 C2
DONE
5JB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.338 98.495 -136.31 0.4130
5 C1 Cg 3 4 3 2 1.565 68.430 -90.76 0.2800
6 H12 H1 E 5 4 3 1.091 109.821 33.19 0.0000
7 H11 H1 E 5 4 3 1.089 110.419 151.32 0.0000
8 O1 Oh S 5 4 3 1.444 112.820 -88.26 -0.7220
9 H1O Ho E 8 5 4 0.965 107.671 41.74 0.4320
10 O6 Os M 4 3 2 1.484 136.913 168.93 -0.5510
11 C6 Cg M 10 4 3 1.484 117.065 151.25 0.2920
12 H6E H1 E 11 10 4 1.090 109.046 175.12 0.0000
13 H6A H1 E 11 10 4 1.091 108.728 -67.49 0.0000
14 C5 Cg M 11 10 4 1.547 111.063 53.76 0.3740
15 H5 H1 E 14 11 10 1.091 108.987 71.66 0.0000
16 C4 Cg 3 14 11 10 1.550 111.895 -49.63 0.1550
17 H4 H1 E 16 14 11 1.090 108.402 -67.51 0.0000
18 O4 Oh S 16 14 11 1.459 110.935 175.25 -0.6840
19 H4O Ho E 18 16 14 0.968 109.165 45.21 0.4380
20 C3 Cg B 16 14 11 1.551 111.966 52.01 0.3630
21 H3 H1 E 20 16 14 1.091 109.562 -175.27 0.0000
22 O3 Oh S 20 16 14 1.461 107.359 67.28 -0.7250
23 H3O Ho E 22 20 16 0.967 106.570 50.21 0.4320
24 O5 Os M 14 11 10 1.455 109.300 -169.66 -0.4970
LOOP
C3 C2
DONE
5PA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 25.577 79.066 -133.43 0.4170
5 C1 Cg 3 4 3 2 1.541 26.010 100.53 0.3270
6 H12 H1 E 5 4 3 1.091 110.581 1.25 0.0000
7 H11 H1 E 5 4 3 1.091 110.426 120.84 0.0000
8 O1 Oh S 5 4 3 1.436 110.176 -119.10 -0.6440
9 H1O Ho E 8 5 4 0.960 109.427 60.11 0.3930
10 C3 Cg M 4 3 2 1.558 99.850 -27.83 0.1500
11 H3 H1 E 10 4 3 1.091 107.175 74.35 0.0000
12 O3 Oh S 10 4 3 1.441 111.232 -41.58 -0.6650
13 H3O Ho E 12 10 4 0.960 109.411 -63.14 0.4090
14 C4 Cg M 10 4 3 1.543 115.259 -167.84 0.3940
15 H4 H1 E 14 10 4 1.091 110.047 -172.55 0.0000
16 O4 Oh S 14 10 4 1.445 109.700 67.72 -0.7020
17 H4O Ho E 16 14 10 0.960 109.435 60.08 0.4320
18 C5 Cg M 14 10 4 1.541 108.511 -52.13 0.1530
19 H5 H1 E 18 14 10 1.091 108.437 -65.69 0.0000
20 C6 Cg 3 18 14 10 1.536 113.177 54.52 0.3930
21 H6E H1 E 20 18 14 1.090 110.388 -174.85 0.0000
22 H6A H1 E 20 18 14 1.091 110.767 65.28 0.0000
23 O6 Os E 20 18 14 1.482 109.077 -55.00 -0.5980
24 O5 Os M 18 14 10 1.437 110.081 176.63 -0.4590
LOOP
O6 C2
DONE
5PB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.410 98.300 -136.21 0.4070
5 C1 Cg 3 4 3 2 1.572 62.826 -96.98 0.3790
6 H12 H1 E 5 4 3 1.091 110.003 43.55 0.0000
7 H11 H1 E 5 4 3 1.088 110.382 162.11 0.0000
8 O1 Oh S 5 4 3 1.452 112.720 -77.60 -0.7200
9 H1O Ho E 8 5 4 0.961 109.403 -178.93 0.4100
10 O6 Os M 4 3 2 1.479 135.293 168.58 -0.5400
11 C6 Cg M 10 4 3 1.483 117.190 146.77 0.3640
12 H6E H1 E 11 10 4 1.090 109.004 179.12 0.0000
13 H6A H1 E 11 10 4 1.091 109.618 -62.69 0.0000
14 C5 Cg M 11 10 4 1.540 108.996 58.93 0.1880
15 H5 H1 E 14 11 10 1.091 108.080 63.62 0.0000
16 C4 Cg 3 14 11 10 1.546 111.137 -55.37 0.3280
17 H4 H1 E 16 14 11 1.091 109.097 173.70 0.0000
18 O4 Oh S 16 14 11 1.453 109.563 -68.11 -0.6980
19 H4O Ho E 18 16 14 0.967 106.113 178.47 0.4270
20 C3 Cg B 16 14 11 1.548 111.648 53.12 0.1800
21 H3 H1 E 20 16 14 1.092 106.115 68.15 0.0000
22 O3 Oh S 20 16 14 1.462 110.163 -176.47 -0.6810
23 H3O Ho E 22 20 16 0.967 108.335 -167.48 0.4220
24 O5 Os M 14 11 10 1.454 110.659 -178.62 -0.4660
LOOP
C3 C2
DONE
5RD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 21.697 99.148 -131.21 0.4450
5 H1 H2 E 4 3 2 1.090 4.631 -133.95 0.0000
6 C2 Cg M 4 3 2 1.639 108.788 16.92 0.3180
7 H2 H1 E 6 4 3 1.090 106.253 24.71 0.0000
8 O2 Oh S 6 4 3 1.461 116.185 -94.11 -0.7090
9 H2O Ho E 8 6 4 0.962 110.320 178.71 0.4160
10 C3 Cg M 6 4 3 1.641 106.653 138.14 0.2750
11 H3 H1 E 10 6 4 1.090 110.829 -140.13 0.0000
12 O3 Oh S 10 6 4 1.452 110.052 99.39 -0.7390
13 H3O Ho E 12 10 6 0.969 108.678 -13.86 0.4380
14 C4 Cg M 10 6 4 1.627 107.074 -17.90 0.3270
15 H4 H1 E 14 10 6 1.091 110.687 126.58 0.0000
16 O4 Os E 14 10 6 1.590 104.801 9.06 -0.5130
17 C5 Cg M 14 10 6 1.540 111.841 -110.98 0.1950
18 H52 H1 E 17 14 10 1.090 109.854 62.87 0.0000
19 H51 H1 E 17 14 10 1.090 109.790 -55.87 0.0000
20 O5 Os M 17 14 10 1.441 111.480 -176.24 -0.4530
LOOP
O4 C1
DONE
5RU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.636 98.718 -136.21 0.3780
5 H1 H1 E 4 3 2 1.091 92.407 -91.72 0.0000
6 O4 Os M 4 3 2 1.557 127.421 149.85 -0.4240
7 C4 Cg M 6 4 3 1.587 113.195 -122.12 0.1020
8 H4 H1 E 7 6 4 1.091 108.133 -112.74 0.0000
9 C3 Cg 3 7 6 4 1.616 104.949 4.12 0.2890
10 H3 H1 E 9 7 6 1.091 109.320 105.86 0.0000
11 O3 Oh S 9 7 6 1.443 110.518 -134.81 -0.6830
12 H3O Ho E 11 9 7 0.968 106.484 98.07 0.4280
13 C2 Cg B 9 7 6 1.643 107.735 -11.40 0.2930
14 H2 H1 E 13 9 7 1.091 110.396 135.88 0.0000
15 O2 Oh S 13 9 7 1.462 110.605 -103.78 -0.6700
16 H2O Ho E 15 13 9 0.963 109.628 -173.50 0.4200
17 C5 Cg M 7 6 4 1.534 111.781 126.34 0.3380
18 H52 H1 E 17 7 6 1.090 110.006 -172.13 0.0000
19 H51 H1 E 17 7 6 1.090 110.394 -52.52 0.0000
20 O5 Os M 17 7 6 1.436 109.887 68.16 -0.4710
LOOP
C2 C1
DONE
5XD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.757 98.427 -135.59 0.4280
5 H1 H1 E 4 3 2 1.090 154.297 167.70 0.0000
6 C2 Cg M 4 3 2 1.636 88.449 18.82 0.2480
7 H2 H1 E 6 4 3 1.091 107.679 -173.80 0.0000
8 O2 Oh S 6 4 3 1.455 113.910 66.16 -0.6570
9 H2O Ho E 8 6 4 0.967 107.830 -15.92 0.4070
10 C3 Cg M 6 4 3 1.634 106.860 -57.15 0.3020
11 H3 H1 E 10 6 4 1.091 108.695 100.33 0.0000
12 O3 Oh S 10 6 4 1.447 111.050 -140.89 -0.7140
13 H3O Ho E 12 10 6 0.963 109.068 -54.84 0.4260
14 C4 Cg M 10 6 4 1.626 107.473 -15.89 0.2370
15 H4 H1 E 14 10 6 1.090 108.401 126.25 0.0000
16 O4 Os E 14 10 6 1.593 104.822 10.20 -0.5070
17 C5 Cg M 14 10 6 1.543 116.861 -110.85 0.2800
18 H52 H1 E 17 14 10 1.090 109.111 -166.53 0.0000
19 H51 H1 E 17 14 10 1.090 111.083 -47.72 0.0000
20 O5 Os M 17 14 10 1.441 110.629 74.51 -0.4500
LOOP
O4 C1
DONE
5XU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.387 98.861 -135.83 0.3880
5 H1 H2 E 4 3 2 1.090 46.961 -113.71 0.0000
6 O4 Os M 4 3 2 1.557 141.976 -176.87 -0.4270
7 C4 Cg M 6 4 3 1.585 113.491 160.80 0.1420
8 H4 H1 E 7 6 4 1.091 108.575 -119.30 0.0000
9 C3 Cg 3 7 6 4 1.626 104.984 -3.27 0.2240
10 H3 H1 E 9 7 6 1.091 107.946 -110.07 0.0000
11 O3 Oh S 9 7 6 1.450 112.399 130.64 -0.6620
12 H3O Ho E 11 9 7 0.964 109.399 168.94 0.4120
13 C2 Cg B 9 7 6 1.636 107.660 8.09 0.3820
14 H2 H1 E 13 9 7 1.091 109.319 108.55 0.0000
15 O2 Oh S 13 9 7 1.454 110.186 -132.48 -0.7310
16 H2O Ho E 15 13 9 0.963 109.130 -172.15 0.4200
17 C5 Cg M 7 6 4 1.541 109.761 121.74 0.2850
18 H52 H1 E 17 7 6 1.091 110.415 -59.53 0.0000
19 H51 H1 E 17 7 6 1.090 109.960 -179.16 0.0000
20 O5 Os M 17 7 6 1.439 110.113 61.06 -0.4330
LOOP
C2 C1
DONE
5aD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.368 114.897 -133.01 0.3680
5 H1 H2 E 4 3 2 1.090 119.976 17.53 0.0000
6 O4 Os M 4 3 2 1.561 59.259 -79.14 -0.4530
7 C4 Cg M 6 4 3 1.585 113.130 -121.92 0.1470
8 H4 H1 E 7 6 4 1.091 108.094 110.87 0.0000
9 C3 Cg 3 7 6 4 1.617 105.385 -6.71 0.3700
10 H3 H1 E 9 7 6 1.091 110.266 -112.89 0.0000
11 O3 Oh S 9 7 6 1.445 109.680 127.75 -0.7030
12 H3O Ho E 11 9 7 0.962 109.189 179.20 0.4040
13 C2 Cg B 9 7 6 1.638 107.830 6.88 0.2780
14 H2 H1 E 13 9 7 1.092 109.588 114.25 0.0000
15 O2 Oh S 13 9 7 1.459 110.296 -126.81 -0.6880
16 H2O Ho E 15 13 9 0.962 111.196 67.05 0.4300
17 C5 Cg M 7 6 4 1.531 111.011 -129.51 0.3380
18 H51 H1 E 17 7 6 1.090 110.161 -65.64 0.0000
19 H52 H1 E 17 7 6 1.090 110.286 174.71 0.0000
20 O5 Os M 17 7 6 1.438 109.271 54.27 -0.4910
LOOP
C2 C1
DONE
5aU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.454 114.767 -133.16 0.4770
5 H1 H2 E 4 3 2 1.090 87.975 -58.14 0.0000
6 C2 Cg M 4 3 2 1.636 130.777 -176.24 0.3280
7 H2 H1 E 6 4 3 1.091 107.572 122.70 0.0000
8 O2 Oh S 6 4 3 1.456 114.449 2.64 -0.7210
9 H2O Ho E 8 6 4 0.967 108.079 -13.83 0.4170
10 C3 Cg M 6 4 3 1.636 107.243 -120.25 0.2150
11 H3 H1 E 10 6 4 1.091 109.548 106.72 0.0000
12 O3 Oh S 10 6 4 1.449 110.684 -133.44 -0.7280
13 H3O Ho E 12 10 6 0.965 109.557 -66.15 0.4370
14 C4 Cg M 10 6 4 1.623 107.636 -12.21 0.3270
15 H4 H1 E 14 10 6 1.091 110.021 -108.06 0.0000
16 O4 Os E 14 10 6 1.592 104.988 8.35 -0.5320
17 C5 Cg M 14 10 6 1.536 113.561 128.49 0.2270
18 H51 H1 E 17 14 10 1.090 110.273 60.89 0.0000
19 H52 H1 E 17 14 10 1.090 110.003 -58.63 0.0000
20 O5 Os M 17 14 10 1.440 109.976 -178.69 -0.4470
LOOP
O4 C1
DONE
5bA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.597 116.875 -129.05 0.1300
5 C1 Cg 3 4 3 2 1.560 38.289 130.05 0.4280
6 H11 H1 E 5 4 3 1.090 109.813 -63.29 0.0000
7 H12 H1 E 5 4 3 1.091 110.098 55.13 0.0000
8 O1 Oh S 5 4 3 1.443 112.003 175.62 -0.6780
9 H1O Ho E 8 5 4 0.961 107.457 -73.22 0.3990
10 O6 Os M 4 3 2 1.483 117.931 41.66 -0.5070
11 C6 Cg M 10 4 3 1.491 117.309 -140.69 0.3410
12 H6A H1 E 11 10 4 1.091 108.839 69.58 0.0000
13 H6E H1 E 11 10 4 1.090 108.907 -173.08 0.0000
14 C5 Cg M 11 10 4 1.544 111.103 -51.77 0.2240
15 H5 H1 E 14 11 10 1.091 108.357 -70.02 0.0000
16 C4 Cg 3 14 11 10 1.550 111.673 50.56 0.3350
17 H4 H1 E 16 14 11 1.092 110.207 65.56 0.0000
18 O4 Oh S 16 14 11 1.461 109.228 -175.33 -0.7240
19 H4O Ho E 18 16 14 0.964 108.580 -89.49 0.4210
20 C3 Cg B 16 14 11 1.548 109.394 -55.39 0.3720
21 H3 H1 E 20 16 14 1.092 107.364 -59.65 0.0000
22 O3 Oh S 20 16 14 1.456 111.878 -176.69 -0.7160
23 H3O Ho E 22 20 16 0.964 107.033 43.80 0.4300
24 O5 Os M 14 11 10 1.455 108.467 172.51 -0.4550
LOOP
C3 C2
DONE
5bB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.272 115.141 -133.35 0.2270
5 C1 Cg 3 4 3 2 1.563 58.191 -68.63 0.2810
6 H11 H1 E 5 4 3 1.090 110.121 173.79 0.0000
7 H12 H1 E 5 4 3 1.091 110.325 -67.50 0.0000
8 O1 Oh S 5 4 3 1.444 111.743 53.37 -0.6260
9 H1O Ho E 8 5 4 0.960 109.452 -179.75 0.3950
10 C3 Cg M 4 3 2 1.564 137.751 -159.39 0.4640
11 H3 H1 E 10 4 3 1.092 108.642 -99.82 0.0000
12 O3 Oh S 10 4 3 1.453 110.350 18.53 -0.7300
13 H3O Ho E 12 10 4 0.965 106.403 -56.73 0.4320
14 C4 Cg M 10 4 3 1.550 112.585 140.12 0.1080
15 H4 H1 E 14 10 4 1.092 109.044 -68.01 0.0000
16 O4 Oh S 14 10 4 1.460 110.433 173.08 -0.6750
17 H4O Ho E 16 14 10 0.968 108.634 54.62 0.4350
18 C5 Cg M 14 10 4 1.545 110.670 52.19 0.3400
19 H5 H1 E 18 14 10 1.091 109.543 69.26 0.0000
20 C6 Cg 3 18 14 10 1.543 112.662 -52.18 0.3110
21 H6A H1 E 20 18 14 1.091 110.545 -68.04 0.0000
22 H6E H1 E 20 18 14 1.090 110.160 172.58 0.0000
23 O6 Os E 20 18 14 1.485 109.751 52.43 -0.4770
24 O5 Os M 18 14 10 1.444 107.942 -172.32 -0.4850
LOOP
O6 C2
DONE
5cA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.586 116.969 -129.11 0.3450
5 C1 Cg 3 4 3 2 1.567 44.165 126.75 0.3860
6 H11 H1 E 5 4 3 1.091 110.132 -50.25 0.0000
7 H12 H1 E 5 4 3 1.091 109.446 67.92 0.0000
8 O1 Oh S 5 4 3 1.446 112.801 -171.35 -0.6960
9 H1O Ho E 8 5 4 0.968 106.626 -39.29 0.4020
10 O6 Os M 4 3 2 1.483 117.808 35.58 -0.6200
11 C6 Cg M 10 4 3 1.483 118.572 -140.03 0.4370
12 H6A H1 E 11 10 4 1.091 109.541 67.42 0.0000
13 H6E H1 E 11 10 4 1.090 108.752 -174.83 0.0000
14 C5 Cg M 11 10 4 1.538 109.646 -54.60 0.1950
15 H5 H1 E 14 11 10 1.091 108.701 -59.59 0.0000
16 C4 Cg 3 14 11 10 1.544 109.577 58.96 0.3670
17 H4 H1 E 16 14 11 1.091 108.427 -177.56 0.0000
18 O4 Oh S 16 14 11 1.450 110.035 65.74 -0.7200
19 H4O Ho E 18 16 14 0.965 107.347 50.59 0.3940
20 C3 Cg B 16 14 11 1.551 112.343 -57.29 0.2470
21 H3 H1 E 20 16 14 1.092 108.943 168.11 0.0000
22 O3 Oh S 20 16 14 1.466 107.388 -76.78 -0.6550
23 H3O Ho E 22 20 16 0.965 109.737 -75.75 0.4060
24 O5 Os M 14 11 10 1.462 111.474 -178.00 -0.4880
LOOP
C3 C2
DONE
5cB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.348 115.227 -133.37 0.2440
5 C1 Cg 3 4 3 2 1.563 56.302 -67.37 0.2970
6 H11 H1 E 5 4 3 1.088 110.800 167.68 0.0000
7 H12 H1 E 5 4 3 1.091 110.065 -73.30 0.0000
8 O1 Oh S 5 4 3 1.447 111.733 47.62 -0.6690
9 H1O Ho E 8 5 4 0.961 109.456 178.60 0.4010
10 C3 Cg M 4 3 2 1.569 136.938 -155.77 0.3170
11 H3 H1 E 10 4 3 1.091 109.321 19.65 0.0000
12 O3 Oh S 10 4 3 1.453 110.172 -98.32 -0.6970
13 H3O Ho E 12 10 4 0.968 105.774 30.26 0.4070
14 C4 Cg M 10 4 3 1.551 113.143 142.19 0.3440
15 H4 H1 E 14 10 4 1.091 109.341 168.38 0.0000
16 O4 Oh S 14 10 4 1.459 109.536 -74.38 -0.6980
17 H4O Ho E 16 14 10 0.964 108.929 -91.80 0.4170
18 C5 Cg M 14 10 4 1.549 111.995 47.93 0.1950
19 H5 H1 E 18 14 10 1.091 108.324 67.05 0.0000
20 C6 Cg 3 18 14 10 1.539 112.024 -51.70 0.3650
21 H6A H1 E 20 18 14 1.091 110.698 -66.37 0.0000
22 H6E H1 E 20 18 14 1.090 110.083 174.22 0.0000
23 O6 Os E 20 18 14 1.482 109.460 54.46 -0.4600
24 O5 Os M 18 14 10 1.457 110.756 -175.28 -0.4630
LOOP
O6 C2
DONE
5dD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.268 115.026 -133.11 0.3800
5 H1 H1 E 4 3 2 1.090 114.859 26.91 0.0000
6 O4 Os M 4 3 2 1.562 69.561 -75.86 -0.4230
7 C4 Cg M 6 4 3 1.588 112.912 -129.70 0.1890
8 H4 H1 E 7 6 4 1.091 107.600 104.77 0.0000
9 C3 Cg 3 7 6 4 1.624 104.960 -9.27 0.2980
10 H3 H1 E 9 7 6 1.090 111.418 136.70 0.0000
11 O3 Oh S 9 7 6 1.446 109.315 -102.58 -0.6780
12 H3O Ho E 11 9 7 0.969 106.468 140.77 0.4170
13 C2 Cg B 9 7 6 1.641 106.916 15.19 0.2290
14 H2 H1 E 13 9 7 1.091 107.286 100.85 0.0000
15 O2 Oh S 13 9 7 1.459 112.998 -140.55 -0.6510
16 H2O Ho E 15 13 9 0.964 109.258 -171.53 0.4110
17 C5 Cg M 7 6 4 1.537 110.486 -136.68 0.3050
18 H51 H1 E 17 7 6 1.090 110.600 57.42 0.0000
19 H52 H1 E 17 7 6 1.090 110.349 177.71 0.0000
20 O5 Os M 17 7 6 1.438 108.908 -62.47 -0.4770
LOOP
C2 C1
DONE
5dU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.298 115.109 -132.95 0.4360
5 H1 H2 E 4 3 2 1.090 33.811 -66.58 0.0000
6 C2 Cg M 4 3 2 1.640 133.355 -123.59 0.2840
7 H2 H1 E 6 4 3 1.089 110.427 15.83 0.0000
8 O2 Oh S 6 4 3 1.464 111.148 -105.13 -0.6800
9 H2O Ho E 8 6 4 0.969 107.470 22.02 0.4070
10 C3 Cg M 6 4 3 1.642 106.290 136.04 0.3000
11 H3 H1 E 10 6 4 1.091 107.886 -101.19 0.0000
12 O3 Oh S 10 6 4 1.446 112.188 139.89 -0.6420
13 H3O Ho E 12 10 6 0.970 106.239 -9.38 0.4050
14 C4 Cg M 10 6 4 1.620 107.806 14.92 0.1350
15 H4 H1 E 14 10 6 1.091 108.974 -127.93 0.0000
16 O4 Os E 14 10 6 1.588 104.668 -11.75 -0.5170
17 C5 Cg M 14 10 6 1.542 114.725 109.52 0.3730
18 H51 H1 E 17 14 10 1.090 109.887 61.57 0.0000
19 H52 H1 E 17 14 10 1.091 110.456 -58.00 0.0000
20 O5 Os M 17 14 10 1.439 110.322 -178.69 -0.5010
LOOP
O4 C1
DONE
5jA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.606 116.955 -129.13 0.1140
5 C1 Cg 3 4 3 2 1.562 37.871 133.82 0.4100
6 H11 H1 E 5 4 3 1.091 110.432 -44.43 0.0000
7 H12 H1 E 5 4 3 1.091 109.780 74.50 0.0000
8 O1 Oh S 5 4 3 1.437 111.258 -165.16 -0.6560
9 H1O Ho E 8 5 4 0.970 105.489 -31.79 0.4050
10 O6 Os M 4 3 2 1.482 115.122 42.33 -0.5040
11 C6 Cg M 10 4 3 1.489 118.583 -143.57 0.3680
12 H6A H1 E 11 10 4 1.091 108.585 71.14 0.0000
13 H6E H1 E 11 10 4 1.090 108.936 -171.67 0.0000
14 C5 Cg M 11 10 4 1.541 111.422 -50.10 0.2730
15 H5 H1 E 14 11 10 1.091 109.320 -69.49 0.0000
16 C4 Cg 3 14 11 10 1.547 110.532 51.66 0.2810
17 H4 H1 E 16 14 11 1.091 108.842 63.65 0.0000
18 O4 Oh S 16 14 11 1.460 110.450 -178.37 -0.6720
19 H4O Ho E 18 16 14 0.964 109.388 -155.63 0.4130
20 C3 Cg B 16 14 11 1.550 111.417 -56.44 0.2710
21 H3 H1 E 20 16 14 1.091 109.045 176.24 0.0000
22 O3 Oh S 20 16 14 1.458 108.952 -66.09 -0.6540
23 H3O Ho E 22 20 16 0.966 107.634 -43.74 0.4250
24 O5 Os M 14 11 10 1.453 108.662 172.04 -0.4740
LOOP
C3 C2
DONE
5jB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.167 115.000 -133.41 0.4130
5 C1 Cg 3 4 3 2 1.565 63.386 -70.64 0.2800
6 H11 H1 E 5 4 3 1.089 110.419 -177.38 0.0000
7 H12 H1 E 5 4 3 1.091 109.821 -59.25 0.0000
8 O1 Oh S 5 4 3 1.444 112.820 62.20 -0.7220
9 H1O Ho E 8 5 4 0.965 107.671 -41.74 0.4320
10 C3 Cg M 4 3 2 1.569 133.651 -166.33 0.3630
11 H3 H1 E 10 4 3 1.091 109.772 23.93 0.0000
12 O3 Oh S 10 4 3 1.461 111.127 -95.90 -0.7250
13 H3O Ho E 12 10 4 0.967 106.570 -171.29 0.4320
14 C4 Cg M 10 4 3 1.551 110.614 144.95 0.1550
15 H4 H1 E 14 10 4 1.090 108.392 -65.40 0.0000
16 O4 Oh S 14 10 4 1.459 109.947 177.92 -0.6840
17 H4O Ho E 16 14 10 0.968 109.165 -169.60 0.4380
18 C5 Cg M 14 10 4 1.550 111.966 54.12 0.3740
19 H5 H1 E 18 14 10 1.091 109.534 68.96 0.0000
20 C6 Cg 3 18 14 10 1.547 111.895 -52.01 0.2920
21 H6A H1 E 20 18 14 1.091 110.065 -70.83 0.0000
22 H6E H1 E 20 18 14 1.090 109.985 170.44 0.0000
23 O6 Os E 20 18 14 1.484 111.063 49.63 -0.5510
24 O5 Os M 18 14 10 1.455 108.361 -172.59 -0.4970
LOOP
O6 C2
DONE
5pA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 38.107 125.493 -138.65 0.4170
5 C1 Cg 3 4 3 2 1.541 32.225 137.95 0.3270
6 H11 H1 E 5 4 3 1.091 110.426 -89.86 0.0000
7 H12 H1 E 5 4 3 1.091 110.581 29.73 0.0000
8 O1 Oh S 5 4 3 1.436 110.176 150.08 -0.6440
9 H1O Ho E 8 5 4 0.960 109.427 -60.11 0.3930
10 O6 Os M 4 3 2 1.488 134.068 95.67 -0.5980
11 C6 Cg M 10 4 3 1.482 118.332 -161.65 0.3930
12 H6A H1 E 11 10 4 1.091 109.250 66.45 0.0000
13 H6E H1 E 11 10 4 1.090 109.091 -175.40 0.0000
14 C5 Cg M 11 10 4 1.536 109.077 -54.75 0.1530
15 H5 H1 E 14 11 10 1.091 108.321 -65.28 0.0000
16 C4 Cg 3 14 11 10 1.541 113.177 55.00 0.3940
17 H4 H1 E 16 14 11 1.091 110.012 -174.96 0.0000
18 O4 Oh S 16 14 11 1.445 109.714 65.32 -0.7020
19 H4O Ho E 18 16 14 0.960 109.435 -179.19 0.4320
20 C3 Cg B 16 14 11 1.543 108.511 -54.52 0.1500
21 H3 H1 E 20 16 14 1.091 106.088 -66.29 0.0000
22 O3 Oh S 20 16 14 1.441 110.125 178.95 -0.6650
23 H3O Ho E 22 20 16 0.960 109.411 -65.90 0.4090
24 O5 Os M 14 11 10 1.437 108.893 177.77 -0.4590
LOOP
C3 C2
DONE
5pB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.269 115.092 -133.40 0.4070
5 C1 Cg 3 4 3 2 1.572 55.875 -67.58 0.3790
6 H11 H1 E 5 4 3 1.088 110.382 170.92 0.0000
7 H12 H1 E 5 4 3 1.091 110.003 -70.52 0.0000
8 O1 Oh S 5 4 3 1.452 112.720 50.63 -0.7200
9 H1O Ho E 8 5 4 0.961 109.403 178.93 0.4100
10 C3 Cg M 4 3 2 1.562 136.654 -159.34 0.1800
11 H3 H1 E 10 4 3 1.092 107.885 -98.54 0.0000
12 O3 Oh S 10 4 3 1.462 112.137 18.93 -0.6810
13 H3O Ho E 12 10 4 0.967 108.335 -65.45 0.4220
14 C4 Cg M 10 4 3 1.548 113.222 144.34 0.3280
15 H4 H1 E 14 10 4 1.091 109.035 170.62 0.0000
16 O4 Oh S 14 10 4 1.453 109.303 -71.38 -0.6980
17 H4O Ho E 16 14 10 0.967 106.113 -55.83 0.4270
18 C5 Cg M 14 10 4 1.546 111.648 50.00 0.1880
19 H5 H1 E 18 14 10 1.091 108.531 65.60 0.0000
20 C6 Cg 3 18 14 10 1.540 111.137 -53.12 0.3640
21 H6A H1 E 20 18 14 1.091 110.957 -65.43 0.0000
22 H6E H1 E 20 18 14 1.090 110.095 174.89 0.0000
23 O6 Os E 20 18 14 1.483 108.996 55.37 -0.5400
24 O5 Os M 18 14 10 1.454 110.567 -176.42 -0.4660
LOOP
O6 C2
DONE
5rD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 31.783 117.445 -130.09 0.4450
5 H1 H2 E 4 3 2 1.090 21.504 -157.11 0.0000
6 O4 Os M 4 3 2 1.561 97.975 72.12 -0.5130
7 C4 Cg M 6 4 3 1.590 113.384 153.92 0.3270
8 H4 H1 E 7 6 4 1.091 109.128 114.99 0.0000
9 C3 Cg 3 7 6 4 1.627 104.801 -3.59 0.2750
10 H3 H1 E 9 7 6 1.090 111.845 -130.65 0.0000
11 O3 Oh S 9 7 6 1.452 108.122 109.49 -0.7390
12 H3O Ho E 11 9 7 0.969 108.678 -102.78 0.4380
13 C2 Cg B 9 7 6 1.641 107.074 -9.06 0.3180
14 H2 H1 E 13 9 7 1.090 106.590 -95.30 0.0000
15 O2 Oh S 13 9 7 1.461 113.571 147.17 -0.7090
16 H2O Ho E 15 13 9 0.962 110.320 57.03 0.4160
17 C5 Cg M 7 6 4 1.540 110.745 -124.36 0.1950
18 H51 H1 E 17 7 6 1.090 109.790 172.36 0.0000
19 H52 H1 E 17 7 6 1.090 109.854 53.62 0.0000
20 O5 Os M 17 7 6 1.441 111.480 -67.27 -0.4530
LOOP
C2 C1
DONE
5rU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.407 114.701 -133.21 0.3780
5 H1 H1 E 4 3 2 1.091 84.946 -59.46 0.0000
6 C2 Cg M 4 3 2 1.633 131.021 -175.92 0.2930
7 H2 H1 E 6 4 3 1.091 111.731 -2.35 0.0000
8 O2 Oh S 6 4 3 1.462 109.045 117.82 -0.6700
9 H2O Ho E 8 6 4 0.963 109.628 -69.88 0.4200
10 C3 Cg M 6 4 3 1.643 106.357 -122.88 0.2890
11 H3 H1 E 10 6 4 1.091 108.114 103.55 0.0000
12 O3 Oh S 10 6 4 1.443 112.608 -136.62 -0.6830
13 H3O Ho E 12 10 6 0.968 106.484 22.47 0.4280
14 C4 Cg M 10 6 4 1.616 107.735 -14.49 0.1020
15 H4 H1 E 14 10 6 1.091 109.546 -104.49 0.0000
16 O4 Os E 14 10 6 1.587 104.949 11.40 -0.4240
17 C5 Cg M 14 10 6 1.534 112.497 133.15 0.3380
18 H51 H1 E 17 14 10 1.090 110.394 -65.27 0.0000
19 H52 H1 E 17 14 10 1.090 110.006 54.34 0.0000
20 O5 Os M 17 14 10 1.436 109.887 174.05 -0.4710
LOOP
O4 C1
DONE
5xD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.594 114.988 -132.87 0.4280
5 H1 H1 E 4 3 2 1.090 132.003 29.40 0.0000
6 O4 Os M 4 3 2 1.561 69.372 -71.25 -0.5070
7 C4 Cg M 6 4 3 1.593 113.153 -99.38 0.2370
8 H4 H1 E 7 6 4 1.090 108.789 116.35 0.0000
9 C3 Cg 3 7 6 4 1.626 104.822 0.57 0.3020
10 H3 H1 E 9 7 6 1.091 107.635 106.72 0.0000
11 O3 Oh S 9 7 6 1.447 113.750 -133.56 -0.7140
12 H3O Ho E 11 9 7 0.963 109.068 176.23 0.4260
13 C2 Cg B 9 7 6 1.634 107.473 -10.20 0.2480
14 H2 H1 E 13 9 7 1.091 108.718 -100.07 0.0000
15 O2 Oh S 13 9 7 1.455 111.279 140.82 -0.6570
16 H2O Ho E 15 13 9 0.967 107.830 -104.95 0.4070
17 C5 Cg M 7 6 4 1.543 109.223 -125.39 0.2800
18 H51 H1 E 17 7 6 1.090 111.083 166.42 0.0000
19 H52 H1 E 17 7 6 1.090 109.111 -74.77 0.0000
20 O5 Os M 17 7 6 1.441 110.629 44.19 -0.4500
LOOP
C2 C1
DONE
5xU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.174 114.918 -132.94 0.3880
5 H1 H2 E 4 3 2 1.090 35.467 -62.24 0.0000
6 C2 Cg M 4 3 2 1.632 131.215 -128.66 0.3820
7 H2 H1 E 6 4 3 1.091 109.438 -95.81 0.0000
8 O2 Oh S 6 4 3 1.454 112.254 24.53 -0.7310
9 H2O Ho E 8 6 4 0.963 109.130 -68.38 0.4200
10 C3 Cg M 6 4 3 1.636 107.260 145.70 0.2240
11 H3 H1 E 10 6 4 1.091 109.533 -107.12 0.0000
12 O3 Oh S 10 6 4 1.450 111.002 133.42 -0.6620
13 H3O Ho E 12 10 6 0.964 109.399 70.42 0.4120
14 C4 Cg M 10 6 4 1.626 107.660 10.02 0.1420
15 H4 H1 E 14 10 6 1.091 108.631 -124.08 0.0000
16 O4 Os E 14 10 6 1.585 104.984 -8.09 -0.4270
17 C5 Cg M 14 10 6 1.541 115.732 113.08 0.2850
18 H51 H1 E 17 14 10 1.090 109.960 60.60 0.0000
19 H52 H1 E 17 14 10 1.091 110.415 -59.03 0.0000
20 O5 Os M 17 14 10 1.439 110.113 -179.62 -0.4330
LOOP
O4 C1
DONE
6BD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410
5 C1 Cg 3 4 3 2 1.546 4.633 -120.67 0.3130
6 H12 H1 E 5 4 3 1.090 110.325 114.28 0.0000
7 H11 H1 E 5 4 3 1.091 109.856 -126.60 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -6.24 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 -163.85 0.4140
10 C3 Cg M 4 3 2 1.641 111.508 16.65 0.4400
11 H3 H1 E 10 4 3 1.090 108.442 20.90 0.0000
12 O3 Oh S 10 4 3 1.453 115.892 -99.73 -0.7320
13 H3O Ho E 12 10 4 0.959 109.052 121.29 0.4040
14 C4 Cg M 10 4 3 1.636 106.644 136.55 0.2250
15 H4 H1 E 14 10 4 1.091 108.604 98.33 0.0000
16 O4 Oh S 14 10 4 1.457 112.032 -142.43 -0.7100
17 H4O Ho E 16 14 10 0.965 109.577 -74.18 0.4350
18 C5 Cg M 14 10 4 1.626 107.413 -17.56 0.2710
19 H5 H1 E 18 14 10 1.091 108.621 126.81 0.0000
20 O5 Os E 18 14 10 1.587 104.732 10.45 -0.4520
21 C6 Cg M 18 14 10 1.543 115.360 -109.99 0.2810
22 H62 H1 E 21 18 14 1.091 109.980 67.38 0.0000
23 H61 H1 E 21 18 14 1.090 110.249 -51.87 0.0000
24 O6 Os M 21 18 14 1.443 110.886 -171.63 -0.4620
LOOP
O5 C2
DONE
6BU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470
5 C1 Cg 3 4 3 2 1.553 52.999 -106.31 0.2990
6 H12 H1 E 5 4 3 1.091 110.361 37.48 0.0000
7 H11 H1 E 5 4 3 1.091 109.538 156.30 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 -83.60 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 -172.60 0.3820
10 O5 Os M 4 3 2 1.568 142.358 -178.86 -0.3850
11 C5 Cg M 10 4 3 1.582 113.720 173.86 0.2100
12 H5 H1 E 11 10 4 1.091 108.799 -121.64 0.0000
13 C4 Cg 3 11 10 4 1.624 104.801 -5.21 0.2830
14 H4 H1 E 13 11 10 1.091 107.561 -105.82 0.0000
15 O4 Oh S 13 11 10 1.453 112.691 135.08 -0.7550
16 H4O Ho E 15 13 11 0.964 109.402 171.47 0.4340
17 C3 Cg B 13 11 10 1.637 107.577 11.31 0.3820
18 H3 H1 E 17 13 11 1.091 108.163 103.95 0.0000
19 O3 Oh S 17 13 11 1.455 110.878 -138.10 -0.7420
20 H3O Ho E 19 17 13 0.963 108.479 -160.63 0.4260
21 C6 Cg M 11 10 4 1.541 109.962 118.91 0.3320
22 H62 H1 E 21 11 10 1.090 110.302 -58.44 0.0000
23 H61 H1 E 21 11 10 1.090 109.861 -177.80 0.0000
24 O6 Os M 21 11 10 1.442 110.695 62.46 -0.4860
LOOP
C3 C2
DONE
6CD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840
5 C1 Cg 3 4 3 2 1.556 9.626 -136.04 0.3700
6 H12 H1 E 5 4 3 1.091 109.651 88.60 0.0000
7 H11 H1 E 5 4 3 1.091 110.210 -152.55 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -31.57 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 49.38 0.4140
10 C3 Cg M 4 3 2 1.638 108.658 19.86 0.2820
11 H3 H1 E 10 4 3 1.091 111.006 -104.35 0.0000
12 O3 Oh S 10 4 3 1.460 111.917 16.34 -0.7160
13 H3O Ho E 12 10 4 0.965 109.355 -165.56 0.4320
14 C4 Cg M 10 4 3 1.638 106.495 134.41 0.3320
15 H4 H1 E 14 10 4 1.091 111.116 -136.07 0.0000
16 O4 Oh S 14 10 4 1.453 108.919 105.00 -0.7840
17 H4O Ho E 16 14 10 0.965 110.375 -49.86 0.4440
18 C5 Cg M 14 10 4 1.621 107.987 -13.87 0.3090
19 H5 H1 E 18 14 10 1.092 110.544 126.66 0.0000
20 O5 Os E 18 14 10 1.584 104.926 8.85 -0.4980
21 C6 Cg M 18 14 10 1.538 111.506 -110.78 0.2650
22 H62 H1 E 21 18 14 1.091 109.952 69.16 0.0000
23 H61 H1 E 21 18 14 1.090 109.956 -49.70 0.0000
24 O6 Os M 21 18 14 1.442 111.246 -169.72 -0.4460
LOOP
O5 C2
DONE
6CU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390
5 C1 Cg 3 4 3 2 1.537 69.500 -144.67 0.2870
6 H12 H1 E 5 4 3 1.091 110.638 29.87 0.0000
7 H11 H1 E 5 4 3 1.091 109.952 149.16 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 -91.14 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 -179.97 0.4010
10 O5 Os M 4 3 2 1.575 147.962 122.92 -0.4490
11 C5 Cg M 10 4 3 1.577 112.749 -165.42 0.3100
12 H5 H1 E 11 10 4 1.092 109.362 -121.32 0.0000
13 C4 Cg 3 11 10 4 1.622 105.503 -1.90 0.2930
14 H4 H1 E 13 11 10 1.092 112.170 133.69 0.0000
15 O4 Oh S 13 11 10 1.434 107.738 -106.47 -0.7630
16 H4O Ho E 15 13 11 0.960 109.480 -62.64 0.4310
17 C3 Cg B 13 11 10 1.624 107.882 8.77 0.3330
18 H3 H1 E 17 13 11 1.091 112.343 -135.61 0.0000
19 O3 Oh S 17 13 11 1.439 105.085 106.18 -0.6910
20 H3O Ho E 19 17 13 0.960 109.418 -177.11 0.4100
21 C6 Cg M 11 10 4 1.529 108.415 119.08 0.2720
22 H62 H1 E 21 11 10 1.091 110.618 -56.09 0.0000
23 H61 H1 E 21 11 10 1.090 110.315 -176.31 0.0000
24 O6 Os M 21 11 10 1.433 108.667 64.08 -0.4490
LOOP
C3 C2
DONE
6EA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 O2 Oh S 6 4 3 1.437 106.903 53.10 -0.6900
9 H2O Ho E 8 6 4 0.960 109.486 -57.88 0.4470
10 C3 Cg M 6 4 3 1.541 114.896 172.06 0.3280
11 H3 H1 E 10 6 4 1.091 110.106 -167.45 0.0000
12 O3 Oh S 10 6 4 1.442 106.866 75.38 -0.7140
13 H3O Ho E 12 10 6 0.960 109.461 58.71 0.4200
14 C4 Cg M 10 6 4 1.544 111.809 -45.05 0.2610
15 H4 H1 E 14 10 6 1.091 108.188 -68.68 0.0000
16 O4 Oh S 14 10 6 1.439 109.304 174.29 -0.7210
17 H4O Ho E 16 14 10 0.960 109.412 -61.37 0.4150
18 C5 Cg M 14 10 6 1.541 113.133 51.50 0.3740
19 H5 H1 E 18 14 10 1.092 109.237 63.30 0.0000
20 O5 Os E 18 14 10 1.485 107.816 -54.81 -0.5870
21 C6 Cg M 18 14 10 1.535 114.012 -174.39 0.2590
22 H62 H1 E 21 18 14 1.090 110.525 -56.55 0.0000
23 H61 H1 E 21 18 14 1.091 110.727 63.66 0.0000
24 O6 Os M 21 18 14 1.434 108.916 -175.95 -0.4510
LOOP
O5 C1
DONE
6EB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C4 Cg 3 7 6 4 1.549 109.730 55.16 0.3200
10 H4 H1 E 9 7 6 1.091 108.584 66.50 0.0000
11 O4 Oh S 9 7 6 1.457 110.564 -175.67 -0.7240
12 H4O Ho E 11 9 7 0.964 110.039 -157.92 0.4200
13 C3 Cg 3 9 7 6 1.554 111.196 -53.07 0.3150
14 H3 H1 E 13 9 7 1.091 109.198 176.72 0.0000
15 O3 Oh S 13 9 7 1.454 110.601 -64.53 -0.6810
16 H3O Ho E 15 13 9 0.965 108.397 -50.06 0.4030
17 C2 Cg B 13 9 7 1.540 111.264 55.77 0.1840
18 H2 H1 E 17 13 9 1.091 109.856 -175.33 0.0000
19 O2 Oh S 17 13 9 1.463 107.825 66.95 -0.6970
20 H2O Ho E 19 17 13 0.966 108.305 -175.24 0.4320
21 C6 Cg M 7 6 4 1.541 109.115 178.24 0.2780
22 H62 H1 E 21 7 6 1.091 110.136 -62.32 0.0000
23 H61 H1 E 21 7 6 1.090 110.614 177.96 0.0000
24 O6 Os M 21 7 6 1.439 109.977 57.72 -0.4630
LOOP
C2 C1
DONE
6GA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 O2 Oh S 6 4 3 1.465 111.499 -41.43 -0.7130
9 H2O Ho E 8 6 4 0.967 109.170 -40.31 0.4370
10 C3 Cg M 6 4 3 1.543 111.424 -164.87 0.2860
11 H3 H1 E 10 6 4 1.092 109.239 69.49 0.0000
12 O3 Oh S 10 6 4 1.452 108.531 -172.18 -0.6990
13 H3O Ho E 12 10 6 0.967 107.382 -43.08 0.4270
14 C4 Cg M 10 6 4 1.547 112.114 -52.22 0.2540
15 H4 H1 E 14 10 6 1.092 109.454 -66.45 0.0000
16 O4 Oh S 14 10 6 1.451 108.956 174.69 -0.7100
17 H4O Ho E 16 14 10 0.968 107.227 50.66 0.4360
18 C5 Cg M 14 10 6 1.543 111.254 54.50 0.2830
19 H5 H1 E 18 14 10 1.092 108.261 65.38 0.0000
20 O5 Os E 18 14 10 1.500 109.539 -52.54 -0.5740
21 C6 Cg M 18 14 10 1.546 112.538 -174.79 0.2760
22 H62 H1 E 21 18 14 1.090 110.682 -45.93 0.0000
23 H61 H1 E 21 18 14 1.091 110.014 73.31 0.0000
24 O6 Os M 21 18 14 1.444 110.823 -165.78 -0.4580
LOOP
O5 C1
DONE
6GB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C4 Cg 3 7 6 4 1.543 108.909 58.25 0.2760
10 H4 H1 E 9 7 6 1.092 109.352 66.92 0.0000
11 O4 Oh S 9 7 6 1.448 108.899 -174.36 -0.7140
12 H4O Ho E 11 9 7 0.967 107.435 172.17 0.4400
13 C3 Cg 3 9 7 6 1.548 111.306 -54.04 0.2840
14 H3 H1 E 13 9 7 1.092 109.104 -67.30 0.0000
15 O3 Oh S 13 9 7 1.454 108.817 174.47 -0.7090
16 H3O Ho E 15 13 9 0.967 107.396 -174.95 0.4320
17 C2 Cg B 13 9 7 1.545 112.113 53.55 0.3100
18 H2 H1 E 17 13 9 1.092 109.394 68.33 0.0000
19 O2 Oh S 17 13 9 1.458 108.975 -172.91 -0.7180
20 H2O Ho E 19 17 13 0.966 108.053 175.61 0.4370
21 C6 Cg M 7 6 4 1.541 109.304 -178.46 0.2820
22 H62 H1 E 21 7 6 1.091 110.212 -62.75 0.0000
23 H61 H1 E 21 7 6 1.090 110.609 177.45 0.0000
24 O6 Os M 21 7 6 1.440 109.810 57.27 -0.4580
LOOP
C2 C1
DONE
6JD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920
5 C1 Cg 3 4 3 2 1.554 10.224 -140.48 0.3890
6 H12 H1 E 5 4 3 1.091 109.769 84.88 0.0000
7 H11 H1 E 5 4 3 1.091 110.219 -156.13 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -35.41 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 50.29 0.3800
10 C3 Cg M 4 3 2 1.637 108.016 16.20 0.3930
11 H3 H1 E 10 4 3 1.091 112.376 -99.86 0.0000
12 O3 Oh S 10 4 3 1.455 110.333 22.08 -0.7480
13 H3O Ho E 12 10 4 0.969 106.278 138.38 0.4460
14 C4 Cg M 10 4 3 1.642 105.965 138.66 0.2330
15 H4 H1 E 14 10 4 1.090 107.367 95.04 0.0000
16 O4 Oh S 14 10 4 1.458 113.311 -146.22 -0.6710
17 H4O Ho E 16 14 10 0.965 110.086 -102.72 0.4140
18 C5 Cg M 14 10 4 1.625 107.375 -19.81 0.1900
19 H5 H1 E 18 14 10 1.091 108.940 130.16 0.0000
20 O5 Os E 18 14 10 1.585 104.597 13.44 -0.4100
21 C6 Cg M 18 14 10 1.542 114.908 -106.54 0.3400
22 H62 H1 E 21 18 14 1.090 110.250 66.65 0.0000
23 H61 H1 E 21 18 14 1.090 110.186 -52.85 0.0000
24 O6 Os M 21 18 14 1.441 110.517 -172.30 -0.4940
LOOP
O5 C2
DONE
6JU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510
5 C1 Cg 3 4 3 2 1.554 50.342 -105.76 0.3330
6 H12 H1 E 5 4 3 1.090 110.121 39.98 0.0000
7 H11 H1 E 5 4 3 1.090 109.574 158.57 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 -81.07 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 -173.81 0.4150
10 O5 Os M 4 3 2 1.569 141.794 -176.42 -0.3890
11 C5 Cg M 10 4 3 1.585 113.364 166.72 0.1000
12 H5 H1 E 11 10 4 1.089 109.200 -122.53 0.0000
13 C4 Cg 3 11 10 4 1.619 104.895 -5.59 0.2840
14 H4 H1 E 13 11 10 1.091 107.554 -103.32 0.0000
15 O4 Oh S 13 11 10 1.442 113.035 137.27 -0.6570
16 H4O Ho E 15 13 11 0.969 105.977 -113.16 0.4100
17 C3 Cg B 13 11 10 1.639 107.844 12.75 0.2230
18 H3 H1 E 17 13 11 1.090 110.597 -136.61 0.0000
19 O3 Oh S 17 13 11 1.460 109.186 103.85 -0.6710
20 H3O Ho E 19 17 13 0.971 106.808 -128.68 0.4160
21 C6 Cg M 11 10 4 1.537 108.498 118.12 0.3490
22 H62 H1 E 21 11 10 1.089 110.316 -54.99 0.0000
23 H61 H1 E 21 11 10 1.090 111.054 -175.70 0.0000
24 O6 Os M 21 11 10 1.435 108.026 64.54 -0.4670
LOOP
C3 C2
DONE
6KA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 O2 Oh S 6 4 3 1.439 110.808 -54.40 -0.7160
9 H2O Ho E 8 6 4 0.960 109.409 -63.57 0.4270
10 C3 Cg M 6 4 3 1.544 115.219 178.76 0.3540
11 H3 H1 E 10 6 4 1.091 109.846 -171.16 0.0000
12 O3 Oh S 10 6 4 1.440 110.218 69.79 -0.7440
13 H3O Ho E 12 10 6 0.960 109.437 59.70 0.4360
14 C4 Cg M 10 6 4 1.541 111.196 -48.97 0.1960
15 H4 H1 E 14 10 6 1.091 109.723 170.85 0.0000
16 O4 Oh S 14 10 6 1.440 107.338 -72.13 -0.7120
17 H4O Ho E 16 14 10 0.960 109.466 -178.56 0.4200
18 C5 Cg M 14 10 6 1.549 113.058 48.50 0.3010
19 H5 H1 E 18 14 10 1.092 107.347 66.38 0.0000
20 O5 Os E 18 14 10 1.489 109.902 -50.90 -0.5400
21 C6 Cg M 18 14 10 1.535 114.885 -173.99 0.2870
22 H62 H1 E 21 18 14 1.090 110.246 -52.70 0.0000
23 H61 H1 E 21 18 14 1.091 110.887 67.51 0.0000
24 O6 Os M 21 18 14 1.434 108.908 -172.15 -0.4630
LOOP
O5 C1
DONE
6KB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C4 Cg 3 7 6 4 1.553 110.891 55.18 0.2170
10 H4 H1 E 9 7 6 1.091 108.867 -172.31 0.0000
11 O4 Oh S 9 7 6 1.455 110.952 69.39 -0.7000
12 H4O Ho E 11 9 7 0.964 110.377 163.16 0.4250
13 C3 Cg 3 9 7 6 1.545 111.117 -51.77 0.2530
14 H3 H1 E 13 9 7 1.091 109.391 173.95 0.0000
15 O3 Oh S 13 9 7 1.452 107.992 -68.85 -0.7100
16 H3O Ho E 15 13 9 0.968 107.267 175.38 0.4420
17 C2 Cg B 13 9 7 1.547 111.988 52.75 0.3080
18 H2 H1 E 17 13 9 1.091 108.509 65.85 0.0000
19 O2 Oh S 17 13 9 1.462 109.337 -176.76 -0.7100
20 H2O Ho E 19 17 13 0.965 108.091 178.76 0.4260
21 C6 Cg M 7 6 4 1.542 109.430 -179.47 0.2590
22 H62 H1 E 21 7 6 1.090 110.533 -58.28 0.0000
23 H61 H1 E 21 7 6 1.090 110.096 -177.88 0.0000
24 O6 Os M 21 7 6 1.441 110.162 62.18 -0.4480
LOOP
C2 C1
DONE
6LA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 O2 Oh S 6 4 3 1.440 109.403 -55.56 -0.7240
9 H2O Ho E 8 6 4 0.960 109.415 -61.40 0.4310
10 C3 Cg M 6 4 3 1.541 112.432 -178.15 0.2530
11 H3 H1 E 10 6 4 1.091 109.206 67.02 0.0000
12 O3 Oh S 10 6 4 1.440 110.035 -174.48 -0.7010
13 H3O Ho E 12 10 6 0.960 109.438 -57.69 0.4330
14 C4 Cg M 10 6 4 1.544 111.714 -53.08 0.2040
15 H4 H1 E 14 10 6 1.091 109.766 175.51 0.0000
16 O4 Oh S 14 10 6 1.445 109.785 -64.95 -0.6730
17 H4O Ho E 16 14 10 0.960 109.470 179.80 0.4360
18 C5 Cg M 14 10 6 1.544 110.422 54.48 0.2160
19 H5 H1 E 18 14 10 1.092 107.514 62.91 0.0000
20 O5 Os E 18 14 10 1.490 109.289 -54.45 -0.5270
21 C6 Cg M 18 14 10 1.535 114.934 -177.18 0.3080
22 H62 H1 E 21 18 14 1.090 110.251 -53.15 0.0000
23 H61 H1 E 21 18 14 1.091 110.918 67.08 0.0000
24 O6 Os M 21 18 14 1.434 108.858 -172.60 -0.4600
LOOP
O5 C1
DONE
6LB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C4 Cg 3 7 6 4 1.545 110.103 55.47 0.2030
10 H4 H1 E 9 7 6 1.091 109.333 -173.92 0.0000
11 O4 Oh S 9 7 6 1.449 109.628 67.34 -0.6640
12 H4O Ho E 11 9 7 0.967 107.158 -172.89 0.4370
13 C3 Cg 3 9 7 6 1.546 110.517 -53.62 0.2590
14 H3 H1 E 13 9 7 1.092 108.098 -64.81 0.0000
15 O3 Oh S 13 9 7 1.455 109.126 178.29 -0.6940
16 H3O Ho E 15 13 9 0.967 107.449 -176.92 0.4330
17 C2 Cg B 13 9 7 1.547 112.254 55.04 0.3570
18 H2 H1 E 17 13 9 1.092 109.716 67.43 0.0000
19 O2 Oh S 17 13 9 1.459 108.705 -173.71 -0.7260
20 H2O Ho E 19 17 13 0.965 107.724 175.67 0.4320
21 C6 Cg M 7 6 4 1.539 109.777 -179.32 0.3190
22 H62 H1 E 21 7 6 1.091 110.848 -57.06 0.0000
23 H61 H1 E 21 7 6 1.090 110.337 -177.30 0.0000
24 O6 Os M 21 7 6 1.437 109.027 63.12 -0.4680
LOOP
C2 C1
DONE
6MA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 O2 Oh S 6 4 3 1.459 110.007 79.71 -0.7170
9 H2O Ho E 8 6 4 0.965 108.621 167.29 0.4460
10 C3 Cg M 6 4 3 1.545 110.571 -158.93 0.2520
11 H3 H1 E 10 6 4 1.092 108.528 64.93 0.0000
12 O3 Oh S 10 6 4 1.461 109.595 -177.93 -0.6960
13 H3O Ho E 12 10 6 0.964 109.699 -74.81 0.4310
14 C4 Cg M 10 6 4 1.549 111.609 -54.79 0.3260
15 H4 H1 E 14 10 6 1.091 109.865 -64.38 0.0000
16 O4 Oh S 14 10 6 1.452 108.734 176.59 -0.7330
17 H4O Ho E 16 14 10 0.966 107.267 52.91 0.4380
18 C5 Cg M 14 10 6 1.546 110.605 57.15 0.2760
19 H5 H1 E 18 14 10 1.092 108.214 65.71 0.0000
20 O5 Os E 18 14 10 1.497 110.394 -52.31 -0.5070
21 C6 Cg M 18 14 10 1.544 112.153 -174.59 0.2660
22 H62 H1 E 21 18 14 1.090 110.579 -46.84 0.0000
23 H61 H1 E 21 18 14 1.091 110.051 72.33 0.0000
24 O6 Os M 21 18 14 1.444 110.952 -166.67 -0.4600
LOOP
O5 C1
DONE
6MB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C4 Cg 3 7 6 4 1.550 110.843 51.87 0.3490
10 H4 H1 E 9 7 6 1.091 109.789 70.94 0.0000
11 O4 Oh S 9 7 6 1.452 108.352 -170.58 -0.7460
12 H4O Ho E 11 9 7 0.963 108.380 -159.72 0.4430
13 C3 Cg 3 9 7 6 1.553 110.419 -50.51 0.2630
14 H3 H1 E 13 9 7 1.092 108.588 -60.79 0.0000
15 O3 Oh S 13 9 7 1.457 111.995 -178.50 -0.6920
16 H3O Ho E 15 13 9 0.962 109.624 81.59 0.4300
17 C2 Cg B 13 9 7 1.547 110.623 57.43 0.2410
18 H2 H1 E 17 13 9 1.091 110.076 180.00 0.0000
19 O2 Oh S 17 13 9 1.459 110.769 59.28 -0.6640
20 H2O Ho E 19 17 13 0.964 107.524 -173.81 0.4310
21 C6 Cg M 7 6 4 1.539 108.924 175.37 0.2730
22 H62 H1 E 21 7 6 1.091 110.262 -62.70 0.0000
23 H61 H1 E 21 7 6 1.090 110.558 177.52 0.0000
24 O6 Os M 21 7 6 1.439 109.850 57.44 -0.4550
LOOP
C2 C1
DONE
6NA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 O2 Oh S 6 4 3 1.439 110.664 -54.19 -0.6680
9 H2O Ho E 8 6 4 0.960 109.386 -64.68 0.4150
10 C3 Cg M 6 4 3 1.541 114.996 179.46 0.3300
11 H3 H1 E 10 6 4 1.091 109.966 -173.17 0.0000
12 O3 Oh S 10 6 4 1.445 109.604 67.22 -0.7140
13 H3O Ho E 12 10 6 0.960 109.446 176.58 0.4410
14 C4 Cg M 10 6 4 1.543 108.602 -52.73 0.1670
15 H4 H1 E 14 10 6 1.091 108.011 -66.83 0.0000
16 O4 Oh S 14 10 6 1.439 109.206 176.30 -0.7330
17 H4O Ho E 16 14 10 0.960 109.442 -63.39 0.4440
18 C5 Cg M 14 10 6 1.545 113.659 53.52 0.4040
19 H5 H1 E 18 14 10 1.092 109.059 65.09 0.0000
20 O5 Os E 18 14 10 1.489 108.589 -53.11 -0.6110
21 C6 Cg M 18 14 10 1.535 113.747 -172.97 0.2800
22 H62 H1 E 21 18 14 1.090 110.540 -56.41 0.0000
23 H61 H1 E 21 18 14 1.091 110.668 63.75 0.0000
24 O6 Os M 21 18 14 1.434 109.011 -175.88 -0.4610
LOOP
O5 C1
DONE
6NB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C4 Cg 3 7 6 4 1.547 108.536 56.26 0.2860
10 H4 H1 E 9 7 6 1.091 108.641 63.49 0.0000
11 O4 Oh S 9 7 6 1.447 110.674 -178.31 -0.7070
12 H4O Ho E 11 9 7 0.966 108.053 84.25 0.4300
13 C3 Cg 3 9 7 6 1.546 111.303 -56.16 0.2340
14 H3 H1 E 13 9 7 1.092 109.685 177.82 0.0000
15 O3 Oh S 13 9 7 1.458 109.719 -63.09 -0.6150
16 H3O Ho E 15 13 9 0.967 107.516 169.04 0.3890
17 C2 Cg B 13 9 7 1.544 109.920 57.50 0.3010
18 H2 H1 E 17 13 9 1.093 108.226 64.66 0.0000
19 O2 Oh S 17 13 9 1.458 109.185 -178.16 -0.7030
20 H2O Ho E 19 17 13 0.966 108.382 -178.62 0.4240
21 C6 Cg M 7 6 4 1.541 109.542 179.74 0.3130
22 H62 H1 E 21 7 6 1.090 110.338 -62.12 0.0000
23 H61 H1 E 21 7 6 1.090 110.689 177.70 0.0000
24 O6 Os M 21 7 6 1.438 109.178 57.79 -0.4650
LOOP
C2 C1
DONE
6PD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240
5 C1 Cg 3 4 3 2 1.533 28.030 -160.44 0.2860
6 H12 H1 E 5 4 3 1.091 110.436 100.46 0.0000
7 H11 H1 E 5 4 3 1.091 110.553 -139.51 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 -19.62 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 179.30 0.4190
10 C3 Cg M 4 3 2 1.632 94.644 -17.33 0.3340
11 H3 H1 E 10 4 3 1.090 107.716 7.04 0.0000
12 O3 Oh S 10 4 3 1.441 114.290 -111.78 -0.6610
13 H3O Ho E 12 10 4 0.960 109.502 178.91 0.4150
14 C4 Cg M 10 4 3 1.629 107.129 121.35 0.2820
15 H4 H1 E 14 10 4 1.091 111.828 -141.87 0.0000
16 O4 Oh S 14 10 4 1.437 109.593 96.29 -0.6830
17 H4O Ho E 16 14 10 0.960 109.464 62.85 0.4210
18 C5 Cg M 14 10 4 1.626 106.867 -18.01 0.1940
19 H5 H1 E 18 14 10 1.092 111.109 129.12 0.0000
20 O5 Os E 18 14 10 1.580 105.532 10.85 -0.4530
21 C6 Cg M 18 14 10 1.529 112.801 -107.47 0.2910
22 H62 H1 E 21 18 14 1.091 110.695 60.83 0.0000
23 H61 H1 E 21 18 14 1.090 110.281 -59.44 0.0000
24 O6 Os M 21 18 14 1.433 108.604 -178.96 -0.4780
LOOP
O5 C2
DONE
6PU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880
5 C1 Cg 3 4 3 2 1.541 66.606 -151.42 0.3650
6 H12 H1 E 5 4 3 1.091 110.660 23.30 0.0000
7 H11 H1 E 5 4 3 1.090 109.918 142.71 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 -97.59 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 179.45 0.4180
10 O5 Os M 4 3 2 1.576 153.289 123.56 -0.4800
11 C5 Cg M 10 4 3 1.576 112.884 -156.65 0.3690
12 H5 H1 E 11 10 4 1.092 109.275 -128.49 0.0000
13 C4 Cg 3 11 10 4 1.623 105.494 -8.76 0.1920
14 H4 H1 E 13 11 10 1.091 112.074 133.66 0.0000
15 O4 Oh S 13 11 10 1.438 106.122 -107.17 -0.7110
16 H4O Ho E 15 13 11 0.960 109.445 -63.95 0.4380
17 C3 Cg B 13 11 10 1.631 107.338 11.41 0.3340
18 H3 H1 E 17 13 11 1.091 107.070 107.51 0.0000
19 O3 Oh S 17 13 11 1.441 112.809 -134.73 -0.7140
20 H3O Ho E 19 17 13 0.960 109.493 -55.92 0.4240
21 C6 Cg M 11 10 4 1.529 108.414 112.31 0.2150
22 H62 H1 E 21 11 10 1.091 110.659 -56.54 0.0000
23 H61 H1 E 21 11 10 1.090 110.301 -176.80 0.0000
24 O6 Os M 21 11 10 1.433 108.649 63.62 -0.4510
LOOP
C3 C2
DONE
6TA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 O2 Oh S 6 4 3 1.440 106.453 57.61 -0.6550
9 H2O Ho E 8 6 4 0.960 109.490 -58.28 0.4360
10 C3 Cg M 6 4 3 1.545 112.024 178.31 0.1240
11 H3 H1 E 10 6 4 1.091 106.708 69.61 0.0000
12 O3 Oh S 10 6 4 1.439 110.774 -174.86 -0.6870
13 H3O Ho E 12 10 6 0.960 109.479 -54.69 0.4420
14 C4 Cg M 10 6 4 1.543 114.910 -48.48 0.4340
15 H4 H1 E 14 10 6 1.091 109.633 172.69 0.0000
16 O4 Oh S 14 10 6 1.443 110.261 -67.82 -0.7310
17 H4O Ho E 16 14 10 0.960 109.459 -179.88 0.4170
18 C5 Cg M 14 10 6 1.544 109.739 52.34 0.1570
19 H5 H1 E 18 14 10 1.092 107.463 63.77 0.0000
20 O5 Os E 18 14 10 1.488 109.541 -53.52 -0.4800
21 C6 Cg M 18 14 10 1.535 114.896 -176.35 0.3040
22 H62 H1 E 21 18 14 1.090 110.263 -52.86 0.0000
23 H61 H1 E 21 18 14 1.091 110.896 67.37 0.0000
24 O6 Os M 21 18 14 1.434 108.863 -172.31 -0.4620
LOOP
O5 C1
DONE
6TB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C4 Cg 3 7 6 4 1.547 109.426 59.69 0.3140
10 H4 H1 E 9 7 6 1.091 109.475 -172.25 0.0000
11 O4 Oh S 9 7 6 1.443 108.917 69.31 -0.6260
12 H4O Ho E 11 9 7 0.960 109.455 59.28 0.4130
13 C3 Cg 3 9 7 6 1.547 110.218 -51.66 0.1740
14 H3 H1 E 13 9 7 1.091 106.762 -67.21 0.0000
15 O3 Oh S 13 9 7 1.439 110.707 177.22 -0.6780
16 H3O Ho E 15 13 9 0.960 109.373 -64.34 0.4250
17 C2 Cg B 13 9 7 1.545 114.890 50.96 0.3400
18 H2 H1 E 17 13 9 1.091 109.957 -172.30 0.0000
19 O2 Oh S 17 13 9 1.444 109.766 67.90 -0.6370
20 H2O Ho E 19 17 13 0.960 109.413 -178.32 0.3970
21 C6 Cg M 7 6 4 1.535 108.872 -173.68 0.3490
22 H62 H1 E 21 7 6 1.091 110.886 -56.26 0.0000
23 H61 H1 E 21 7 6 1.090 110.278 -176.51 0.0000
24 O6 Os M 21 7 6 1.434 108.837 64.00 -0.4540
LOOP
C2 C1
DONE
6VA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.481 98.684 -135.89 0.3890
5 H1 H2 E 4 3 2 1.090 143.995 158.32 0.0000
6 C2 Cg M 4 3 2 1.564 98.936 18.14 0.3990
7 H2 H1 E 6 4 3 1.092 107.476 -151.91 0.0000
8 N2 Ng B 6 4 3 1.483 111.776 89.86 -0.5950
9 H2N H E 8 6 4 1.007 117.335 -84.05 0.2380
10 C2N C B 8 6 4 1.336 122.570 82.01 0.6250
11 CME Cg 3 10 8 6 1.541 116.317 -175.68 0.0320
12 H3M Hc E 11 10 8 1.091 110.069 50.52 0.0000
13 H2M Hc E 11 10 8 1.091 110.181 170.34 0.0000
14 H1M Hc E 11 10 8 1.091 109.644 -69.76 0.0000
15 O2N O E 10 8 6 1.227 121.897 4.65 -0.6050
16 C3 Cg M 6 4 3 1.551 110.856 -34.26 0.1760
17 H3 H1 E 16 6 4 1.091 108.463 65.04 0.0000
18 O3 Oh S 16 6 4 1.462 112.217 -176.56 -0.6780
19 H3O Ho E 18 16 6 0.964 110.475 -57.52 0.4250
20 C4 Cg M 16 6 4 1.547 111.657 -53.80 0.3260
21 H4 H1 E 20 16 6 1.091 109.161 175.84 0.0000
22 O4 Oh S 20 16 6 1.450 108.917 -66.09 -0.7010
23 H4O Ho E 22 20 16 0.968 106.613 -47.88 0.4420
24 C5 Cg M 20 16 6 1.548 111.081 55.51 0.1120
25 H5 H1 E 24 20 16 1.091 106.814 64.45 0.0000
26 O5 Os E 24 20 16 1.497 110.914 -51.89 -0.4660
27 C6 Cg M 24 20 16 1.543 114.704 -178.15 0.3620
28 H62 H1 E 27 24 20 1.090 110.167 -176.18 0.0000
29 H61 H1 E 27 24 20 1.090 109.608 -57.43 0.0000
30 O6 Os M 27 24 20 1.435 111.052 62.92 -0.4810
LOOP
O5 C1
DONE
6VB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.423 98.572 -136.34 0.3050
5 H1 H2 E 4 3 2 1.091 71.466 -92.28 0.0000
6 O5 Os M 4 3 2 1.472 131.894 169.48 -0.4080
7 C5 Cg M 6 4 3 1.495 116.111 147.03 0.1360
8 H5 H1 E 7 6 4 1.092 107.966 -63.70 0.0000
9 C4 Cg 3 7 6 4 1.544 110.300 53.58 0.2530
10 H4 H1 E 9 7 6 1.091 109.265 -173.55 0.0000
11 O4 Oh S 9 7 6 1.445 109.653 67.69 -0.6900
12 H4O Ho E 11 9 7 0.968 108.059 -163.84 0.4400
13 C3 Cg 3 9 7 6 1.544 111.265 -52.85 0.1520
14 H3 H1 E 13 9 7 1.092 108.104 -62.30 0.0000
15 O3 Oh S 13 9 7 1.462 108.677 -178.29 -0.6650
16 H3O Ho E 15 13 9 0.963 111.335 83.35 0.4150
17 C2 Cg B 13 9 7 1.558 111.369 56.32 0.5440
18 H2 H1 E 17 13 9 1.091 108.714 61.92 0.0000
19 N2 Ng B 17 13 9 1.481 110.595 -177.69 -0.6860
20 H2N H E 19 17 13 1.005 118.080 75.06 0.2540
21 C2N C B 19 17 13 1.336 122.747 -106.72 0.5860
22 O2N O E 21 19 17 1.227 122.402 0.23 -0.5640
23 CME Cg 3 21 19 17 1.543 116.272 179.61 0.0560
24 H3M Hc E 23 21 19 1.092 110.645 35.56 0.0000
25 H2M Hc E 23 21 19 1.091 109.982 155.53 0.0000
26 H1M Hc E 23 21 19 1.091 109.419 -84.79 0.0000
27 C6 Cg M 7 6 4 1.539 109.857 178.62 0.3530
28 H62 H1 E 27 7 6 1.090 110.929 -56.55 0.0000
29 H61 H1 E 27 7 6 1.091 110.331 -176.87 0.0000
30 O6 Os M 27 7 6 1.436 108.896 63.69 -0.4810
LOOP
C2 C1
DONE
6WA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.550 -135.71 0.4621
5 H1 H2 E 4 3 2 1.090 140.848 159.80 0.0000
6 C2 Cg M 4 3 2 1.554 101.409 17.32 0.2750
7 H2 H1 E 6 4 3 1.092 108.155 87.79 0.0000
8 N2 Ng B 6 4 3 1.482 111.229 -154.80 -0.4751
9 H2N H E 8 6 4 1.007 117.562 110.34 0.2142
10 C2N C B 8 6 4 1.336 123.787 -73.97 0.5909
11 CME Cg 3 10 8 6 1.539 115.681 -177.62 -0.0340
12 H3M Hc E 11 10 8 1.091 109.810 -60.19 0.0000
13 H2M Hc E 11 10 8 1.091 110.252 179.93 0.0000
14 H1M Hc E 11 10 8 1.091 109.868 60.00 0.0000
15 O2N O E 10 8 6 1.229 122.265 3.32 -0.5757
16 C3 Cg M 6 4 3 1.549 109.899 -30.46 0.2520
17 H3 H1 E 16 6 4 1.091 108.295 65.94 0.0000
18 O3 Oh S 16 6 4 1.455 110.348 -176.42 -0.6987
19 H3O Ho E 18 16 6 0.965 109.543 171.31 0.4159
20 C4 Cg M 16 6 4 1.550 112.400 -53.90 0.3213
21 H4 H1 E 20 16 6 1.091 108.333 -69.37 0.0000
22 O4 Oh S 20 16 6 1.458 109.485 172.59 -0.7305
23 H4O Ho E 22 20 16 0.964 111.017 -55.33 0.4424
24 C5 Cg M 20 16 6 1.547 112.664 51.61 0.2421
25 H5 H1 E 24 20 16 1.092 107.873 70.23 0.0000
26 O5 Os E 24 20 16 1.495 111.317 -46.63 -0.5415
27 C6 Cg M 24 20 16 1.545 113.564 -171.33 0.2995
28 H62 H1 E 27 24 20 1.090 109.575 173.73 0.0000
29 H61 H1 E 27 24 20 1.090 109.924 -68.06 0.0000
30 O6 Os M 27 24 20 1.443 112.033 52.74 -0.4599
LOOP
O5 C1
DONE
6WB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.516 98.511 -136.43 0.3870
5 H1 H2 E 4 3 2 1.091 72.898 -90.19 0.0000
6 O5 Os M 4 3 2 1.464 129.676 168.95 -0.4980
7 C5 Cg M 6 4 3 1.498 114.507 143.60 0.3210
8 H5 H1 E 7 6 4 1.092 108.050 -62.29 0.0000
9 C4 Cg 3 7 6 4 1.549 109.860 56.38 0.2770
10 H4 H1 E 9 7 6 1.092 109.334 70.38 0.0000
11 O4 Oh S 9 7 6 1.447 108.932 -170.99 -0.7430
12 H4O Ho E 11 9 7 0.968 107.478 170.69 0.4390
13 C3 Cg 3 9 7 6 1.551 111.754 -50.66 0.2170
14 H3 H1 E 13 9 7 1.092 108.749 -66.35 0.0000
15 O3 Oh S 13 9 7 1.458 109.433 176.28 -0.6580
16 H3O Ho E 15 13 9 0.972 110.221 -149.04 0.4130
17 C2 Cg B 13 9 7 1.550 112.012 52.70 0.2940
18 H2 H1 E 17 13 9 1.092 107.937 -171.40 0.0000
19 N2 Ng B 17 13 9 1.485 111.811 69.61 -0.5580
20 H2N H E 19 17 13 1.007 117.378 -91.94 0.2650
21 C2N C B 19 17 13 1.337 123.528 90.12 0.5850
22 O2N O E 21 19 17 1.229 121.350 -4.57 -0.6000
23 CME Cg 3 21 19 17 1.544 116.722 177.13 0.0560
24 H3M Hc E 23 21 19 1.092 111.211 -15.23 0.0000
25 H2M Hc E 23 21 19 1.091 109.840 -135.47 0.0000
26 H1M Hc E 23 21 19 1.090 109.199 104.92 0.0000
27 C6 Cg M 7 6 4 1.542 108.838 -179.98 0.2470
28 H62 H1 E 27 7 6 1.091 110.098 -62.68 0.0000
29 H61 H1 E 27 7 6 1.090 110.437 177.81 0.0000
30 O6 Os M 27 7 6 1.442 110.379 57.48 -0.4440
LOOP
C2 C1
DONE
6YA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.519 98.653 -135.65 0.4680
5 H1 H2 E 4 3 2 1.090 141.692 162.29 0.0000
6 C2 Cg M 4 3 2 1.558 103.961 13.89 0.2450
7 H2 H1 E 6 4 3 1.092 106.853 -149.41 0.0000
8 N2 Ng B 6 4 3 1.486 111.224 93.53 -0.5520
9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360
10 C2N C B 8 6 4 1.338 124.714 152.48 0.5880
11 CME Cg 3 10 8 6 1.544 117.110 -175.73 0.0630
12 H3M Hc E 11 10 8 1.092 111.363 2.06 0.0000
13 H2M Hc E 11 10 8 1.091 109.387 122.31 0.0000
14 H1M Hc E 11 10 8 1.090 109.379 -118.32 0.0000
15 O2N O E 10 8 6 1.228 121.379 4.88 -0.5790
16 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650
17 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000
18 O3 Oh S 16 6 4 1.457 109.988 -171.07 -0.6300
19 H3O Ho E 18 16 6 0.977 109.893 -12.80 0.4130
20 C4 Cg M 16 6 4 1.546 112.211 -50.71 0.3220
21 H4 H1 E 20 16 6 1.091 108.977 -70.26 0.0000
22 O4 Oh S 20 16 6 1.448 107.905 171.55 -0.7330
23 H4O Ho E 22 20 16 0.967 106.060 48.68 0.4490
24 C5 Cg M 20 16 6 1.544 112.523 51.74 0.2460
25 H5 H1 E 24 20 16 1.092 108.088 68.11 0.0000
26 O5 Os E 24 20 16 1.500 111.305 -49.14 -0.5680
27 C6 Cg M 24 20 16 1.544 112.817 -173.43 0.3280
28 H62 H1 E 27 24 20 1.090 110.073 -62.63 0.0000
29 H61 H1 E 27 24 20 1.090 109.603 179.01 0.0000
30 O6 Os M 27 24 20 1.444 111.701 58.39 -0.4610
LOOP
O5 C1
DONE
6YB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.493 98.498 -136.36 0.2870
5 H1 H2 E 4 3 2 1.091 71.450 -93.59 0.0000
6 O5 Os M 4 3 2 1.468 130.511 167.53 -0.4330
7 C5 Cg M 6 4 3 1.493 115.188 144.42 0.2080
8 H5 H1 E 7 6 4 1.092 108.293 -60.80 0.0000
9 C4 Cg 3 7 6 4 1.542 108.679 57.57 0.3020
10 H4 H1 E 9 7 6 1.092 109.552 66.23 0.0000
11 O4 Oh S 9 7 6 1.444 108.611 -175.00 -0.7160
12 H4O Ho E 11 9 7 0.967 106.789 174.20 0.4360
13 C3 Cg 3 9 7 6 1.547 111.743 -55.34 0.1800
14 H3 H1 E 13 9 7 1.092 108.855 -63.61 0.0000
15 O3 Oh S 13 9 7 1.462 108.350 179.31 -0.6810
16 H3O Ho E 15 13 9 0.964 110.728 170.98 0.4230
17 C2 Cg B 13 9 7 1.555 110.847 55.82 0.4800
18 H2 H1 E 17 13 9 1.092 108.016 63.51 0.0000
19 N2 Ng B 17 13 9 1.484 110.897 -176.40 -0.7220
20 H2N H E 19 17 13 1.006 117.592 78.54 0.3000
21 C2N C B 19 17 13 1.336 123.143 -111.93 0.6480
22 O2N O E 21 19 17 1.226 122.116 6.61 -0.5760
23 CME Cg 3 21 19 17 1.542 116.434 -175.43 0.0340
24 H3M Hc E 23 21 19 1.092 110.630 37.74 0.0000
25 H2M Hc E 23 21 19 1.091 110.076 157.79 0.0000
26 H1M Hc E 23 21 19 1.091 109.335 -82.58 0.0000
27 C6 Cg M 7 6 4 1.540 109.520 -179.10 0.2890
28 H62 H1 E 27 7 6 1.091 110.298 -62.00 0.0000
29 H61 H1 E 27 7 6 1.090 110.526 178.17 0.0000
30 O6 Os M 27 7 6 1.439 109.712 58.17 -0.4590
LOOP
C2 C1
DONE
6bD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410
5 C1 Cg 3 4 3 2 1.546 22.070 -155.25 0.3130
6 H11 H1 E 5 4 3 1.091 109.856 0.87 0.0000
7 H12 H1 E 5 4 3 1.090 110.325 119.99 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -119.49 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 163.85 0.4140
10 O5 Os M 4 3 2 1.565 96.957 71.60 -0.4520
11 C5 Cg M 10 4 3 1.587 113.494 153.37 0.2710
12 H5 H1 E 11 10 4 1.091 109.010 115.27 0.0000
13 C4 Cg 3 11 10 4 1.626 104.732 -0.82 0.2250
14 H4 H1 E 13 11 10 1.091 107.421 106.22 0.0000
15 O4 Oh S 13 11 10 1.457 113.168 -134.63 -0.7100
16 H4O Ho E 15 13 11 0.965 109.577 -164.20 0.4350
17 C3 Cg B 13 11 10 1.636 107.413 -10.45 0.4400
18 H3 H1 E 17 13 11 1.090 107.628 -98.64 0.0000
19 O3 Oh S 17 13 11 1.453 110.696 144.44 -0.7320
20 H3O Ho E 19 17 13 0.959 109.052 117.13 0.4040
21 C6 Cg M 11 10 4 1.543 109.502 -125.08 0.2810
22 H61 H1 E 21 11 10 1.090 110.249 169.67 0.0000
23 H62 H1 E 21 11 10 1.091 109.980 50.42 0.0000
24 O6 Os M 21 11 10 1.443 110.886 -70.57 -0.4620
LOOP
C3 C2
DONE
6bU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470
5 C1 Cg 3 4 3 2 1.553 43.383 -64.68 0.2990
6 H11 H1 E 5 4 3 1.091 109.538 173.60 0.0000
7 H12 H1 E 5 4 3 1.091 110.361 -67.58 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 53.50 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 172.60 0.3820
10 C3 Cg M 4 3 2 1.635 135.193 -142.32 0.3820
11 H3 H1 E 10 4 3 1.091 108.980 -85.98 0.0000
12 O3 Oh S 10 4 3 1.455 113.678 34.22 -0.7420
13 H3O Ho E 12 10 4 0.963 108.479 -78.45 0.4260
14 C4 Cg M 10 4 3 1.637 107.249 157.15 0.2830
15 H4 H1 E 14 10 4 1.091 108.865 -102.82 0.0000
16 O4 Oh S 14 10 4 1.453 111.864 137.73 -0.7550
17 H4O Ho E 16 14 10 0.964 109.402 67.17 0.4340
18 C5 Cg M 14 10 4 1.624 107.577 13.45 0.2100
19 H5 H1 E 18 14 10 1.091 108.969 -127.62 0.0000
20 O5 Os E 18 14 10 1.582 104.801 -11.31 -0.3850
21 C6 Cg M 18 14 10 1.541 114.994 109.54 0.3320
22 H61 H1 E 21 18 14 1.090 109.861 59.82 0.0000
23 H62 H1 E 21 18 14 1.090 110.302 -59.54 0.0000
24 O6 Os M 21 18 14 1.442 110.695 179.56 -0.4860
LOOP
O5 C2
DONE
6cD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840
5 C1 Cg 3 4 3 2 1.556 17.540 -147.50 0.3700
6 H11 H1 E 5 4 3 1.091 110.210 18.90 0.0000
7 H12 H1 E 5 4 3 1.091 109.651 137.75 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -102.08 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 -49.38 0.4140
10 O5 Os M 4 3 2 1.564 97.899 67.10 -0.4980
11 C5 Cg M 10 4 3 1.584 113.350 147.62 0.3090
12 H5 H1 E 11 10 4 1.092 109.375 118.93 0.0000
13 C4 Cg 3 11 10 4 1.621 104.926 0.33 0.3320
14 H4 H1 E 13 11 10 1.091 111.196 -131.00 0.0000
15 O4 Oh S 13 11 10 1.453 109.530 109.63 -0.7840
16 H4O Ho E 15 13 11 0.965 110.375 -68.04 0.4440
17 C3 Cg B 13 11 10 1.638 107.987 -8.85 0.2820
18 H3 H1 E 17 13 11 1.091 111.251 134.95 0.0000
19 O3 Oh S 17 13 11 1.460 108.216 -106.61 -0.7160
20 H3O Ho E 19 17 13 0.965 109.355 -77.40 0.4320
21 C6 Cg M 11 10 4 1.538 110.489 -119.98 0.2650
22 H61 H1 E 21 11 10 1.090 109.956 165.98 0.0000
23 H62 H1 E 21 11 10 1.091 109.952 47.12 0.0000
24 O6 Os M 21 11 10 1.442 111.246 -74.00 -0.4460
LOOP
C3 C2
DONE
6cU INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390
5 C1 Cg 3 4 3 2 1.537 53.448 -6.93 0.2870
6 H11 H1 E 5 4 3 1.091 109.952 -154.15 0.0000
7 H12 H1 E 5 4 3 1.091 110.638 -34.86 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 86.15 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 179.97 0.4010
10 C3 Cg M 4 3 2 1.636 113.047 -107.26 0.3330
11 H3 H1 E 10 4 3 1.091 111.948 41.20 0.0000
12 O3 Oh S 10 4 3 1.439 111.311 -80.89 -0.6910
13 H3O Ho E 12 10 4 0.960 109.418 61.51 0.4100
14 C4 Cg M 10 4 3 1.624 107.103 164.76 0.2930
15 H4 H1 E 14 10 4 1.092 112.868 136.79 0.0000
16 O4 Oh S 14 10 4 1.434 107.032 -103.41 -0.7630
17 H4O Ho E 16 14 10 0.960 109.480 178.44 0.4310
18 C5 Cg M 14 10 4 1.622 107.882 12.29 0.3100
19 H5 H1 E 18 14 10 1.092 110.981 -127.12 0.0000
20 O5 Os E 18 14 10 1.577 105.503 -8.77 -0.4490
21 C6 Cg M 18 14 10 1.529 112.711 109.36 0.2720
22 H61 H1 E 21 18 14 1.090 110.315 59.90 0.0000
23 H62 H1 E 21 18 14 1.091 110.618 -60.32 0.0000
24 O6 Os M 21 18 14 1.433 108.667 179.51 -0.4490
LOOP
O5 C2
DONE
6eA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C4 Cg 3 7 6 4 1.541 107.816 -56.28 0.2610
10 H4 H1 E 9 7 6 1.091 108.456 -65.22 0.0000
11 O4 Oh S 9 7 6 1.439 109.886 177.28 -0.7210
12 H4O Ho E 11 9 7 0.960 109.412 -63.34 0.4150
13 C3 Cg 3 9 7 6 1.544 113.133 54.81 0.3280
14 H3 H1 E 13 9 7 1.091 109.843 -174.05 0.0000
15 O3 Oh S 13 9 7 1.442 110.012 67.08 -0.7140
16 H3O Ho E 15 13 9 0.960 109.461 179.72 0.4200
17 C2 Cg B 13 9 7 1.541 111.809 -51.50 0.1790
18 H2 H1 E 17 13 9 1.092 109.967 169.74 0.0000
19 O2 Oh S 17 13 9 1.437 107.327 -73.67 -0.6900
20 H2O Ho E 19 17 13 0.960 109.486 -178.36 0.4470
21 C6 Cg M 7 6 4 1.535 107.746 -179.76 0.2590
22 H61 H1 E 21 7 6 1.091 110.727 55.96 0.0000
23 H62 H1 E 21 7 6 1.090 110.525 176.17 0.0000
24 O6 Os M 21 7 6 1.434 108.916 -64.43 -0.4510
LOOP
C2 C1
DONE
6eB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 O2 Oh S 6 4 3 1.463 112.571 -104.80 -0.6970
9 H2O Ho E 8 6 4 0.966 108.305 55.11 0.4320
10 C3 Cg M 6 4 3 1.540 108.887 135.69 0.3150
11 H3 H1 E 10 6 4 1.091 109.473 176.26 0.0000
12 O3 Oh S 10 6 4 1.454 108.210 -66.23 -0.6810
13 H3O Ho E 12 10 6 0.965 108.397 172.17 0.4030
14 C4 Cg M 10 6 4 1.554 111.264 55.47 0.3200
15 H4 H1 E 14 10 6 1.091 108.716 63.72 0.0000
16 O4 Oh S 14 10 6 1.457 110.079 -178.65 -0.7240
17 H4O Ho E 16 14 10 0.964 110.039 -78.83 0.4200
18 C5 Cg M 14 10 6 1.549 111.196 -55.77 0.2570
19 H5 H1 E 18 14 10 1.092 109.111 -65.44 0.0000
20 O5 Os E 18 14 10 1.501 109.730 53.07 -0.5320
21 C6 Cg M 18 14 10 1.541 112.018 174.42 0.2780
22 H61 H1 E 21 18 14 1.090 110.614 60.34 0.0000
23 H62 H1 E 21 18 14 1.091 110.136 -59.38 0.0000
24 O6 Os M 21 18 14 1.439 109.977 -179.42 -0.4630
LOOP
O5 C1
DONE
6gA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C4 Cg 3 7 6 4 1.543 109.539 -53.99 0.2540
10 H4 H1 E 9 7 6 1.092 109.342 -68.48 0.0000
11 O4 Oh S 9 7 6 1.451 108.995 172.71 -0.7100
12 H4O Ho E 11 9 7 0.968 107.227 -172.23 0.4360
13 C3 Cg 3 9 7 6 1.547 111.254 52.54 0.2860
14 H3 H1 E 13 9 7 1.092 109.616 66.99 0.0000
15 O3 Oh S 13 9 7 1.452 108.604 -174.42 -0.6990
16 H3O Ho E 15 13 9 0.967 107.382 165.20 0.4270
17 C2 Cg B 13 9 7 1.543 112.114 -54.50 0.2460
18 H2 H1 E 17 13 9 1.091 108.373 -65.99 0.0000
19 O2 Oh S 17 13 9 1.465 110.086 176.46 -0.7130
20 H2O Ho E 19 17 13 0.967 109.170 -83.89 0.4370
21 C6 Cg M 7 6 4 1.546 109.651 -177.94 0.2760
22 H61 H1 E 21 7 6 1.091 110.014 48.88 0.0000
23 H62 H1 E 21 7 6 1.090 110.682 168.12 0.0000
24 O6 Os M 21 7 6 1.444 110.823 -72.03 -0.4580
LOOP
C2 C1
DONE
6gB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 O2 Oh S 6 4 3 1.458 110.080 20.25 -0.7180
9 H2O Ho E 8 6 4 0.966 108.053 -54.43 0.4370
10 C3 Cg M 6 4 3 1.545 110.380 140.59 0.2840
11 H3 H1 E 10 6 4 1.092 109.008 -69.00 0.0000
12 O3 Oh S 10 6 4 1.454 109.219 172.60 -0.7090
13 H3O Ho E 12 10 6 0.967 107.396 52.27 0.4320
14 C4 Cg M 10 6 4 1.548 112.113 51.91 0.2760
15 H4 H1 E 14 10 6 1.092 109.378 67.39 0.0000
16 O4 Oh S 14 10 6 1.448 109.104 -173.75 -0.7140
17 H4O Ho E 16 14 10 0.967 107.435 -50.50 0.4400
18 C5 Cg M 14 10 6 1.543 111.306 -53.55 0.2250
19 H5 H1 E 18 14 10 1.092 109.126 -64.00 0.0000
20 O5 Os E 18 14 10 1.495 108.909 54.04 -0.4710
21 C6 Cg M 18 14 10 1.541 112.515 175.39 0.2820
22 H61 H1 E 21 18 14 1.090 110.609 61.43 0.0000
23 H62 H1 E 21 18 14 1.091 110.212 -58.37 0.0000
24 O6 Os M 21 18 14 1.440 109.810 -178.39 -0.4580
LOOP
O5 C1
DONE
6jD INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920
5 C1 Cg 3 4 3 2 1.554 16.572 -148.09 0.3890
6 H11 H1 E 5 4 3 1.091 110.219 17.52 0.0000
7 H12 H1 E 5 4 3 1.091 109.769 136.51 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -103.20 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 -50.29 0.3800
10 O5 Os M 4 3 2 1.567 99.436 71.06 -0.4100
11 C5 Cg M 10 4 3 1.585 113.292 149.88 0.1900
12 H5 H1 E 11 10 4 1.091 109.254 118.42 0.0000
13 C4 Cg 3 11 10 4 1.625 104.597 1.92 0.2330
14 H4 H1 E 13 11 10 1.090 107.076 101.60 0.0000
15 O4 Oh S 13 11 10 1.458 113.707 -139.62 -0.6710
16 H4O Ho E 15 13 11 0.965 110.086 -134.30 0.4140
17 C3 Cg B 13 11 10 1.642 107.375 -13.44 0.3930
18 H3 H1 E 17 13 11 1.091 111.073 142.12 0.0000
19 O3 Oh S 17 13 11 1.455 107.927 -98.38 -0.7480
20 H3O Ho E 19 17 13 0.969 106.278 -23.03 0.4460
21 C6 Cg M 11 10 4 1.542 109.417 -121.68 0.3400
22 H61 H1 E 21 11 10 1.090 110.186 170.13 0.0000
23 H62 H1 E 21 11 10 1.090 110.250 50.63 0.0000
24 O6 Os M 21 11 10 1.441 110.517 -70.42 -0.4940
LOOP
C3 C2
DONE
6jU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510
5 C1 Cg 3 4 3 2 1.554 41.375 -67.07 0.3330
6 H11 H1 E 5 4 3 1.090 109.574 170.02 0.0000
7 H12 H1 E 5 4 3 1.090 110.121 -71.39 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 49.66 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 173.81 0.4150
10 C3 Cg M 4 3 2 1.643 134.152 -137.11 0.2230
11 H3 H1 E 10 4 3 1.090 111.499 28.62 0.0000
12 O3 Oh S 10 4 3 1.460 110.322 -92.24 -0.6710
13 H3O Ho E 12 10 4 0.971 106.808 11.93 0.4160
14 C4 Cg M 10 4 3 1.639 106.529 149.37 0.2840
15 H4 H1 E 14 10 4 1.091 107.844 -100.60 0.0000
16 O4 Oh S 14 10 4 1.442 112.118 140.35 -0.6570
17 H4O Ho E 16 14 10 0.969 105.977 -9.00 0.4100
18 C5 Cg M 14 10 4 1.619 107.844 15.28 0.1000
19 H5 H1 E 18 14 10 1.089 109.205 -129.69 0.0000
20 O5 Os E 18 14 10 1.585 104.895 -12.75 -0.3890
21 C6 Cg M 18 14 10 1.537 115.282 106.51 0.3490
22 H61 H1 E 21 18 14 1.090 111.054 58.46 0.0000
23 H62 H1 E 21 18 14 1.089 110.316 -62.25 0.0000
24 O6 Os M 21 18 14 1.435 108.026 178.22 -0.4670
LOOP
O5 C2
DONE
6kA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C4 Cg 3 7 6 4 1.549 109.902 -56.18 0.1960
10 H4 H1 E 9 7 6 1.091 109.347 173.46 0.0000
11 O4 Oh S 9 7 6 1.440 109.315 -68.60 -0.7120
12 H4O Ho E 11 9 7 0.960 109.466 -58.47 0.4200
13 C3 Cg 3 9 7 6 1.541 113.058 50.90 0.3540
14 H3 H1 E 13 9 7 1.091 110.148 -170.51 0.0000
15 O3 Oh S 13 9 7 1.440 107.217 72.05 -0.7440
16 H3O Ho E 15 13 9 0.960 109.437 179.14 0.4360
17 C2 Cg B 13 9 7 1.544 111.196 -48.50 0.2810
18 H2 H1 E 17 13 9 1.091 106.696 -68.80 0.0000
19 O2 Oh S 17 13 9 1.439 110.836 175.80 -0.7160
20 H2O Ho E 19 17 13 0.960 109.409 -65.65 0.4270
21 C6 Cg M 7 6 4 1.535 108.811 177.23 0.2870
22 H61 H1 E 21 7 6 1.091 110.887 56.16 0.0000
23 H62 H1 E 21 7 6 1.090 110.246 176.37 0.0000
24 O6 Os M 21 7 6 1.434 108.908 -64.18 -0.4630
LOOP
C2 C1
DONE
6kB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 O2 Oh S 6 4 3 1.462 111.766 18.28 -0.7100
9 H2O Ho E 8 6 4 0.965 108.091 -56.20 0.4260
10 C3 Cg M 6 4 3 1.547 110.415 140.23 0.2530
11 H3 H1 E 10 6 4 1.091 109.195 174.71 0.0000
12 O3 Oh S 10 6 4 1.452 110.271 -66.88 -0.7100
13 H3O Ho E 12 10 6 0.968 107.267 -52.72 0.4420
14 C4 Cg M 10 6 4 1.545 111.988 53.40 0.2170
15 H4 H1 E 14 10 6 1.091 109.393 -172.98 0.0000
16 O4 Oh S 14 10 6 1.455 108.780 69.68 -0.7000
17 H4O Ho E 16 14 10 0.964 110.377 74.31 0.4250
18 C5 Cg M 14 10 6 1.553 111.117 -52.75 0.3030
19 H5 H1 E 18 14 10 1.092 107.789 -66.12 0.0000
20 O5 Os E 18 14 10 1.499 110.891 51.77 -0.5140
21 C6 Cg M 18 14 10 1.542 113.025 175.07 0.2590
22 H61 H1 E 21 18 14 1.090 110.096 53.77 0.0000
23 H62 H1 E 21 18 14 1.090 110.533 -65.83 0.0000
24 O6 Os M 21 18 14 1.441 110.162 173.71 -0.4480
LOOP
O5 C1
DONE
6lA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C4 Cg 3 7 6 4 1.544 109.289 -57.41 0.2040
10 H4 H1 E 9 7 6 1.091 109.671 175.54 0.0000
11 O4 Oh S 9 7 6 1.445 108.372 -65.83 -0.6730
12 H4O Ho E 11 9 7 0.960 109.470 -59.12 0.4360
13 C3 Cg 3 9 7 6 1.544 110.422 54.45 0.2530
14 H3 H1 E 13 9 7 1.091 108.559 66.00 0.0000
15 O3 Oh S 13 9 7 1.440 109.147 -176.39 -0.7010
16 H3O Ho E 15 13 9 0.960 109.438 -179.39 0.4330
17 C2 Cg B 13 9 7 1.541 111.714 -54.48 0.3390
18 H2 H1 E 17 13 9 1.091 108.995 -66.63 0.0000
19 O2 Oh S 17 13 9 1.440 110.049 175.31 -0.7240
20 H2O Ho E 19 17 13 0.960 109.415 -62.60 0.4310
21 C6 Cg M 7 6 4 1.535 108.875 176.32 0.3080
22 H61 H1 E 21 7 6 1.091 110.918 55.87 0.0000
23 H62 H1 E 21 7 6 1.090 110.251 176.10 0.0000
24 O6 Os M 21 7 6 1.434 108.858 -64.45 -0.4600
LOOP
C2 C1
DONE
6lB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 O2 Oh S 6 4 3 1.459 109.860 20.73 -0.7260
9 H2O Ho E 8 6 4 0.965 107.724 -55.10 0.4320
10 C3 Cg M 6 4 3 1.547 110.130 140.44 0.2590
11 H3 H1 E 10 6 4 1.092 108.676 -66.21 0.0000
12 O3 Oh S 10 6 4 1.455 110.815 175.60 -0.6940
13 H3O Ho E 12 10 6 0.967 107.449 52.82 0.4330
14 C4 Cg M 10 6 4 1.546 112.254 53.31 0.2030
15 H4 H1 E 14 10 6 1.091 109.260 -175.38 0.0000
16 O4 Oh S 14 10 6 1.449 109.638 65.91 -0.6640
17 H4O Ho E 16 14 10 0.967 107.158 51.40 0.4370
18 C5 Cg M 14 10 6 1.545 110.517 -55.04 0.1400
19 H5 H1 E 18 14 10 1.092 107.648 -63.90 0.0000
20 O5 Os E 18 14 10 1.495 110.103 53.62 -0.4020
21 C6 Cg M 18 14 10 1.539 113.155 176.88 0.3190
22 H61 H1 E 21 18 14 1.090 110.337 53.86 0.0000
23 H62 H1 E 21 18 14 1.091 110.848 -66.38 0.0000
24 O6 Os M 21 18 14 1.437 109.027 173.44 -0.4680
LOOP
O5 C1
DONE
6mA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C4 Cg 3 7 6 4 1.546 110.394 -50.35 0.3260
10 H4 H1 E 9 7 6 1.091 109.924 -69.18 0.0000
11 O4 Oh S 9 7 6 1.452 108.824 171.70 -0.7330
12 H4O Ho E 11 9 7 0.966 107.267 -173.46 0.4380
13 C3 Cg 3 9 7 6 1.549 110.605 52.31 0.2520
14 H3 H1 E 13 9 7 1.092 108.663 62.49 0.0000
15 O3 Oh S 13 9 7 1.461 110.813 -179.59 -0.6960
16 H3O Ho E 15 13 9 0.964 109.699 -161.58 0.4310
17 C2 Cg B 13 9 7 1.545 111.609 -57.15 0.2450
18 H2 H1 E 17 13 9 1.091 109.207 175.17 0.0000
19 O2 Oh S 17 13 9 1.459 109.731 -66.73 -0.7170
20 H2O Ho E 19 17 13 0.965 108.621 -45.43 0.4460
21 C6 Cg M 7 6 4 1.544 109.404 -174.23 0.2660
22 H61 H1 E 21 7 6 1.091 110.051 50.51 0.0000
23 H62 H1 E 21 7 6 1.090 110.579 169.68 0.0000
24 O6 Os M 21 7 6 1.444 110.952 -70.49 -0.4600
LOOP
C2 C1
DONE
6mB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 O2 Oh S 6 4 3 1.459 109.767 -99.50 -0.6640
9 H2O Ho E 8 6 4 0.964 107.524 55.50 0.4310
10 C3 Cg M 6 4 3 1.547 107.300 140.06 0.2630
11 H3 H1 E 10 6 4 1.092 107.890 -58.13 0.0000
12 O3 Oh S 10 6 4 1.457 110.746 -174.70 -0.6920
13 H3O Ho E 12 10 6 0.962 109.624 154.41 0.4300
14 C4 Cg M 10 6 4 1.553 110.623 60.52 0.3490
15 H4 H1 E 14 10 6 1.091 109.997 63.90 0.0000
16 O4 Oh S 14 10 6 1.452 109.624 -176.73 -0.7460
17 H4O Ho E 16 14 10 0.963 108.380 -79.71 0.4430
18 C5 Cg M 14 10 6 1.550 110.419 -57.43 0.2060
19 H5 H1 E 18 14 10 1.092 108.705 -67.76 0.0000
20 O5 Os E 18 14 10 1.498 110.843 50.51 -0.3930
21 C6 Cg M 18 14 10 1.539 111.873 172.30 0.2730
22 H61 H1 E 21 18 14 1.090 110.558 59.60 0.0000
23 H62 H1 E 21 18 14 1.091 110.262 -60.18 0.0000
24 O6 Os M 21 18 14 1.439 109.850 179.68 -0.4550
LOOP
O5 C1
DONE
6nA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C4 Cg 3 7 6 4 1.545 108.589 -54.12 0.1670
10 H4 H1 E 9 7 6 1.091 108.424 -67.01 0.0000
11 O4 Oh S 9 7 6 1.439 109.651 175.64 -0.7330
12 H4O Ho E 11 9 7 0.960 109.442 -61.75 0.4440
13 C3 Cg 3 9 7 6 1.543 113.659 53.11 0.3300
14 H3 H1 E 13 9 7 1.091 110.022 -173.93 0.0000
15 O3 Oh S 13 9 7 1.445 109.798 66.31 -0.7140
16 H3O Ho E 15 13 9 0.960 109.446 64.20 0.4410
17 C2 Cg B 13 9 7 1.541 108.602 -53.52 0.2280
18 H2 H1 E 17 13 9 1.091 106.837 -65.32 0.0000
19 O2 Oh S 17 13 9 1.439 110.703 179.06 -0.6680
20 H2O Ho E 19 17 13 0.960 109.386 -64.03 0.4150
21 C6 Cg M 7 6 4 1.535 107.673 -177.70 0.2800
22 H61 H1 E 21 7 6 1.091 110.668 56.63 0.0000
23 H62 H1 E 21 7 6 1.090 110.540 176.79 0.0000
24 O6 Os M 21 7 6 1.434 109.011 -63.74 -0.4610
LOOP
C2 C1
DONE
6nB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 O2 Oh S 6 4 3 1.458 111.714 19.64 -0.7030
9 H2O Ho E 8 6 4 0.966 108.382 -58.42 0.4240
10 C3 Cg M 6 4 3 1.544 110.844 141.66 0.2340
11 H3 H1 E 10 6 4 1.092 109.398 175.17 0.0000
12 O3 Oh S 10 6 4 1.458 109.599 -65.98 -0.6150
13 H3O Ho E 12 10 6 0.967 107.516 -48.26 0.3890
14 C4 Cg M 10 6 4 1.546 109.920 54.68 0.2860
15 H4 H1 E 14 10 6 1.091 108.699 62.12 0.0000
16 O4 Oh S 14 10 6 1.447 109.608 179.74 -0.7070
17 H4O Ho E 16 14 10 0.966 108.053 38.89 0.4300
18 C5 Cg M 14 10 6 1.547 111.303 -57.50 0.1980
19 H5 H1 E 18 14 10 1.091 109.233 -61.92 0.0000
20 O5 Os E 18 14 10 1.500 108.536 56.16 -0.5070
21 C6 Cg M 18 14 10 1.541 112.741 177.70 0.3130
22 H61 H1 E 21 18 14 1.090 110.689 61.33 0.0000
23 H62 H1 E 21 18 14 1.090 110.338 -58.85 0.0000
24 O6 Os M 21 18 14 1.438 109.178 -178.76 -0.4650
LOOP
O5 C1
DONE
6pD INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240
5 C1 Cg 3 4 3 2 1.533 11.296 11.27 0.2860
6 H11 H1 E 5 4 3 1.091 110.553 139.19 0.0000
7 H12 H1 E 5 4 3 1.091 110.436 -100.78 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 19.30 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 -179.30 0.4190
10 O5 Os M 4 3 2 1.578 107.245 118.43 -0.4530
11 C5 Cg M 10 4 3 1.580 112.574 125.89 0.1940
12 H5 H1 E 11 10 4 1.092 109.225 119.03 0.0000
13 C4 Cg 3 11 10 4 1.626 105.532 -0.49 0.2820
14 H4 H1 E 13 11 10 1.091 112.773 -134.13 0.0000
15 O4 Oh S 13 11 10 1.437 105.885 105.93 -0.6830
16 H4O Ho E 15 13 11 0.960 109.464 -177.78 0.4210
17 C3 Cg B 13 11 10 1.629 106.867 -10.85 0.3340
18 H3 H1 E 17 13 11 1.090 106.567 -97.07 0.0000
19 O3 Oh S 17 13 11 1.441 113.670 145.25 -0.6610
20 H3O Ho E 19 17 13 0.960 109.502 57.68 0.4150
21 C6 Cg M 11 10 4 1.529 108.517 -121.64 0.2910
22 H61 H1 E 21 11 10 1.090 110.281 176.00 0.0000
23 H62 H1 E 21 11 10 1.091 110.695 55.73 0.0000
24 O6 Os M 21 11 10 1.433 108.604 -64.48 -0.4780
LOOP
C3 C2
DONE
6pU INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880
5 C1 Cg 3 4 3 2 1.541 49.994 0.67 0.3650
6 H11 H1 E 5 4 3 1.090 109.918 -145.53 0.0000
7 H12 H1 E 5 4 3 1.091 110.660 -26.12 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 94.77 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 -179.45 0.4180
10 C3 Cg M 4 3 2 1.631 108.524 -109.61 0.3340
11 H3 H1 E 10 4 3 1.091 109.543 -74.21 0.0000
12 O3 Oh S 10 4 3 1.441 112.255 44.83 -0.7140
13 H3O Ho E 12 10 4 0.960 109.493 177.90 0.4240
14 C4 Cg M 10 4 3 1.631 107.756 169.64 0.1920
15 H4 H1 E 14 10 4 1.091 111.099 133.10 0.0000
16 O4 Oh S 14 10 4 1.438 110.850 -105.23 -0.7110
17 H4O Ho E 16 14 10 0.960 109.445 -179.82 0.4380
18 C5 Cg M 14 10 4 1.623 107.338 10.25 0.3690
19 H5 H1 E 18 14 10 1.092 111.285 -129.81 0.0000
20 O5 Os E 18 14 10 1.576 105.494 -11.41 -0.4800
21 C6 Cg M 18 14 10 1.529 112.798 106.76 0.2150
22 H61 H1 E 21 18 14 1.090 110.301 60.35 0.0000
23 H62 H1 E 21 18 14 1.091 110.659 -59.91 0.0000
24 O6 Os M 21 18 14 1.433 108.649 179.93 -0.4510
LOOP
O5 C2
DONE
6tA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C4 Cg 3 7 6 4 1.544 109.541 -57.17 0.4340
10 H4 H1 E 9 7 6 1.091 109.540 173.93 0.0000
11 O4 Oh S 9 7 6 1.443 109.067 -67.36 -0.7310
12 H4O Ho E 11 9 7 0.960 109.459 -59.56 0.4170
13 C3 Cg 3 9 7 6 1.543 109.739 53.52 0.1240
14 H3 H1 E 13 9 7 1.091 106.734 65.74 0.0000
15 O3 Oh S 13 9 7 1.439 110.707 -178.75 -0.6870
16 H3O Ho E 15 13 9 0.960 109.479 -176.63 0.4420
17 C2 Cg B 13 9 7 1.545 114.910 -52.34 0.2450
18 H2 H1 E 17 13 9 1.091 109.723 171.12 0.0000
19 O2 Oh S 17 13 9 1.440 110.347 -69.94 -0.6550
20 H2O Ho E 19 17 13 0.960 109.490 -179.95 0.4360
21 C6 Cg M 7 6 4 1.535 108.822 176.46 0.3040
22 H61 H1 E 21 7 6 1.091 110.896 55.84 0.0000
23 H62 H1 E 21 7 6 1.090 110.263 176.07 0.0000
24 O6 Os M 21 7 6 1.434 108.863 -64.48 -0.4620
LOOP
C2 C1
DONE
6tB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 O2 Oh S 6 4 3 1.444 109.193 -100.97 -0.6370
9 H2O Ho E 8 6 4 0.960 109.413 58.90 0.3970
10 C3 Cg M 6 4 3 1.545 108.990 139.13 0.1740
11 H3 H1 E 10 6 4 1.091 106.777 -66.52 0.0000
12 O3 Oh S 10 6 4 1.439 110.677 177.92 -0.6780
13 H3O Ho E 12 10 6 0.960 109.373 -64.24 0.4250
14 C4 Cg M 10 6 4 1.547 114.890 51.64 0.3140
15 H4 H1 E 14 10 6 1.091 109.570 -171.49 0.0000
16 O4 Oh S 14 10 6 1.443 110.169 69.26 -0.6260
17 H4O Ho E 16 14 10 0.960 109.455 179.72 0.4130
18 C5 Cg M 14 10 6 1.547 110.218 -50.96 0.0310
19 H5 H1 E 18 14 10 1.092 107.394 -65.47 0.0000
20 O5 Os E 18 14 10 1.487 109.426 51.66 -0.3540
21 C6 Cg M 18 14 10 1.535 115.137 174.64 0.3490
22 H61 H1 E 21 18 14 1.090 110.278 53.24 0.0000
23 H62 H1 E 21 18 14 1.091 110.886 -67.01 0.0000
24 O6 Os M 21 18 14 1.434 108.837 172.73 -0.4540
LOOP
O5 C1
DONE
6vA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.287 114.935 -133.03 0.3890
5 H1 H2 E 4 3 2 1.090 123.196 38.74 0.0000
6 O5 Os M 4 3 2 1.470 74.128 -62.95 -0.4660
7 C5 Cg M 6 4 3 1.497 117.776 -69.87 0.1120
8 H5 H1 E 7 6 4 1.091 107.067 65.15 0.0000
9 C4 Cg 3 7 6 4 1.548 110.914 -51.03 0.3260
10 H4 H1 E 9 7 6 1.091 109.088 172.26 0.0000
11 O4 Oh S 9 7 6 1.450 110.237 -68.94 -0.7010
12 H4O Ho E 11 9 7 0.968 106.613 169.99 0.4420
13 C3 Cg 3 9 7 6 1.547 111.081 51.89 0.1760
14 H3 H1 E 13 9 7 1.091 107.961 63.63 0.0000
15 O3 Oh S 13 9 7 1.462 109.029 179.93 -0.6780
16 H3O Ho E 15 13 9 0.964 110.475 -178.25 0.4250
17 C2 Cg B 13 9 7 1.551 111.657 -55.51 0.3990
18 H2 H1 E 17 13 9 1.092 107.862 -63.61 0.0000
19 N2 Ng B 17 13 9 1.483 110.775 178.49 -0.5950
20 H2N H E 19 17 13 1.007 117.335 -40.12 0.2380
21 C2N C B 19 17 13 1.336 122.570 153.82 0.6250
22 O2N O E 21 19 17 1.227 121.897 -4.65 -0.6050
23 CME Cg 3 21 19 17 1.541 116.317 175.68 0.0320
24 H1M Hc E 23 21 19 1.091 109.644 69.76 0.0000
25 H2M Hc E 23 21 19 1.091 110.181 -170.34 0.0000
26 H3M Hc E 23 21 19 1.091 110.069 -50.52 0.0000
27 C6 Cg M 7 6 4 1.543 110.655 -179.51 0.3620
28 H61 H1 E 27 7 6 1.090 109.608 -176.18 0.0000
29 H62 H1 E 27 7 6 1.090 110.167 -57.43 0.0000
30 O6 Os M 27 7 6 1.435 111.052 63.47 -0.4810
LOOP
C2 C1
DONE
6vB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.231 114.893 -133.39 0.3050
5 H1 H2 E 4 3 2 1.091 65.505 -67.74 0.0000
6 C2 Cg M 4 3 2 1.568 137.512 -160.40 0.5440
7 H2 H1 E 6 4 3 1.091 107.972 -101.23 0.0000
8 N2 Ng B 6 4 3 1.481 111.069 18.97 -0.6860
9 H2N H E 8 6 4 1.005 118.080 45.86 0.2540
10 C2N C B 8 6 4 1.336 122.747 -132.36 0.5860
11 CME Cg 3 10 8 6 1.543 116.272 -179.61 0.0560
12 H1M Hc E 11 10 8 1.091 109.419 84.79 0.0000
13 H2M Hc E 11 10 8 1.091 109.982 -155.53 0.0000
14 H3M Hc E 11 10 8 1.092 110.645 -35.56 0.0000
15 O2N O E 10 8 6 1.227 122.402 -0.23 -0.5640
16 C3 Cg M 6 4 3 1.558 108.807 140.94 0.1520
17 H3 H1 E 16 6 4 1.092 108.105 -63.18 0.0000
18 O3 Oh S 16 6 4 1.462 113.219 178.26 -0.6650
19 H3O Ho E 18 16 6 0.963 111.335 152.35 0.4150
20 C4 Cg M 16 6 4 1.544 111.369 55.44 0.2530
21 H4 H1 E 20 16 6 1.091 109.237 -177.04 0.0000
22 O4 Oh S 20 16 6 1.445 108.904 64.66 -0.6900
23 H4O Ho E 22 20 16 0.968 108.059 41.88 0.4400
24 C5 Cg M 20 16 6 1.544 111.265 -56.32 0.1360
25 H5 H1 E 24 20 16 1.092 107.572 -64.67 0.0000
26 O5 Os E 24 20 16 1.495 110.300 52.85 -0.4080
27 C6 Cg M 24 20 16 1.539 112.869 176.15 0.3530
28 H61 H1 E 27 24 20 1.091 110.331 53.32 0.0000
29 H62 H1 E 27 24 20 1.090 110.929 -67.00 0.0000
30 O6 Os M 27 24 20 1.436 108.896 172.76 -0.4810
LOOP
O5 C1
DONE
6wA INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.378 115.021 -132.94 0.4621
5 H1 H2 E 4 3 2 1.090 120.003 38.85 0.0000
6 O5 Os M 4 3 2 1.469 73.200 -63.39 -0.5415
7 C5 Cg M 6 4 3 1.495 117.898 -69.31 0.2421
8 H5 H1 E 7 6 4 1.092 106.799 68.49 0.0000
9 C4 Cg 3 7 6 4 1.547 111.317 -49.02 0.3213
10 H4 H1 E 9 7 6 1.091 109.249 -73.83 0.0000
11 O4 Oh S 9 7 6 1.458 108.618 168.10 -0.7305
12 H4O Ho E 11 9 7 0.964 111.017 -68.07 0.4424
13 C3 Cg 3 9 7 6 1.550 112.664 46.63 0.2520
14 H3 H1 E 13 9 7 1.091 108.491 68.12 0.0000
15 O3 Oh S 13 9 7 1.455 109.482 -174.62 -0.6987
16 H3O Ho E 15 13 9 0.965 109.543 -47.09 0.4159
17 C2 Cg B 13 9 7 1.549 112.400 -51.61 0.2750
18 H2 H1 E 17 13 9 1.092 108.473 171.95 0.0000
19 N2 Ng B 17 13 9 1.482 111.789 -70.12 -0.4751
20 H2N H E 19 17 13 1.007 117.562 12.93 0.2142
21 C2N C B 19 17 13 1.336 123.787 -162.76 0.5909
22 O2N O E 21 19 17 1.229 122.265 -3.32 -0.5757
23 CME Cg 3 21 19 17 1.539 115.681 177.62 -0.0340
24 H1M Hc E 23 21 19 1.091 109.868 -60.00 0.0000
25 H2M Hc E 23 21 19 1.091 110.252 -179.93 0.0000
26 H3M Hc E 23 21 19 1.091 109.810 60.19 0.0000
27 C6 Cg M 7 6 4 1.545 109.924 -175.74 0.2995
28 H61 H1 E 27 7 6 1.090 109.924 -166.49 0.0000
29 H62 H1 E 27 7 6 1.090 109.575 -48.28 0.0000
30 O6 Os M 27 7 6 1.443 112.033 72.71 -0.4599
LOOP
C2 C1
DONE
6wB INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.322 114.834 -133.45 0.3870
5 H1 H2 E 4 3 2 1.091 67.634 -69.01 0.0000
6 C2 Cg M 4 3 2 1.557 139.933 -164.47 0.2940
7 H2 H1 E 6 4 3 1.092 107.791 25.05 0.0000
8 N2 Ng B 6 4 3 1.485 112.591 -94.31 -0.5580
9 H2N H E 8 6 4 1.007 117.378 -30.20 0.2650
10 C2N C B 8 6 4 1.337 123.528 147.74 0.5850
11 CME Cg 3 10 8 6 1.544 116.722 -177.13 0.0560
12 H1M Hc E 11 10 8 1.090 109.199 -104.92 0.0000
13 H2M Hc E 11 10 8 1.091 109.840 135.47 0.0000
14 H3M Hc E 11 10 8 1.092 111.211 15.23 0.0000
15 O2N O E 10 8 6 1.229 121.350 4.57 -0.6000
16 C3 Cg M 6 4 3 1.550 108.254 141.57 0.2170
17 H3 H1 E 16 6 4 1.092 107.807 -64.62 0.0000
18 O3 Oh S 16 6 4 1.458 111.031 177.66 -0.6580
19 H3O Ho E 18 16 6 0.972 110.221 24.88 0.4130
20 C4 Cg M 16 6 4 1.551 112.012 54.98 0.2770
21 H4 H1 E 20 16 6 1.092 109.220 68.41 0.0000
22 O4 Oh S 20 16 6 1.447 108.869 -173.07 -0.7430
23 H4O Ho E 22 20 16 0.968 107.478 -48.60 0.4390
24 C5 Cg M 20 16 6 1.549 111.754 -52.70 0.3210
25 H5 H1 E 24 20 16 1.092 108.891 -67.49 0.0000
26 O5 Os E 24 20 16 1.498 109.860 50.66 -0.4980
27 C6 Cg M 24 20 16 1.542 112.546 172.10 0.2470
28 H61 H1 E 27 24 20 1.090 110.437 60.16 0.0000
29 H62 H1 E 27 24 20 1.091 110.098 -59.35 0.0000
30 O6 Os M 27 24 20 1.442 110.379 -179.51 -0.4440
LOOP
O5 C1
DONE
6yA INT 0
CORRECT OMIT DU BEG
0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.337 115.005 -132.87 0.4680
5 H1 H2 E 4 3 2 1.090 120.341 36.84 0.0000
6 O5 Os M 4 3 2 1.463 68.163 -62.20 -0.5680
7 C5 Cg M 6 4 3 1.500 118.098 -74.28 0.2460
8 H5 H1 E 7 6 4 1.092 107.019 68.26 0.0000
9 C4 Cg 3 7 6 4 1.544 111.305 -49.64 0.3220
10 H4 H1 E 9 7 6 1.091 109.775 -72.41 0.0000
11 O4 Oh S 9 7 6 1.448 108.615 168.54 -0.7330
12 H4O Ho E 11 9 7 0.967 106.060 -170.93 0.4490
13 C3 Cg 3 9 7 6 1.546 112.523 49.14 0.1650
14 H3 H1 E 13 9 7 1.092 109.255 68.91 0.0000
15 O3 Oh S 13 9 7 1.457 108.091 -173.19 -0.6300
16 H3O Ho E 15 13 9 0.977 109.893 135.62 0.4130
17 C2 Cg B 13 9 7 1.547 112.211 -51.74 0.2450
18 H2 H1 E 17 13 9 1.092 107.659 -66.49 0.0000
19 N2 Ng B 17 13 9 1.486 111.285 175.94 -0.5520
20 H2N H E 19 17 13 1.009 115.982 -94.71 0.2360
21 C2N C B 19 17 13 1.338 124.714 81.84 0.5880
22 O2N O E 21 19 17 1.228 121.379 -4.88 -0.5790
23 CME Cg 3 21 19 17 1.544 117.110 175.73 0.0630
24 H1M Hc E 23 21 19 1.090 109.379 118.32 0.0000
25 H2M Hc E 23 21 19 1.091 109.387 -122.31 0.0000
26 H3M Hc E 23 21 19 1.092 111.363 -2.06 0.0000
27 C6 Cg M 7 6 4 1.544 110.054 -175.47 0.3280
28 H61 H1 E 27 7 6 1.090 109.603 -54.04 0.0000
29 H62 H1 E 27 7 6 1.090 110.073 -172.40 0.0000
30 O6 Os M 27 7 6 1.444 111.701 66.58 -0.4610
LOOP
C2 C1
DONE
6yB INT 0
CORRECT OMIT DU BEG
-0.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.305 114.875 -133.41 0.2870
5 H1 H2 E 4 3 2 1.091 64.963 -66.48 0.0000
6 C2 Cg M 4 3 2 1.566 139.050 -158.60 0.4800
7 H2 H1 E 6 4 3 1.092 107.602 -101.85 0.0000
8 N2 Ng B 6 4 3 1.484 111.108 18.10 -0.7220
9 H2N H E 8 6 4 1.006 117.592 43.53 0.3000
10 C2N C B 8 6 4 1.336 123.143 -126.00 0.6480
11 CME Cg 3 10 8 6 1.542 116.434 175.43 0.0340
12 H1M Hc E 11 10 8 1.091 109.335 82.58 0.0000
13 H2M Hc E 11 10 8 1.091 110.076 -157.79 0.0000
14 H3M Hc E 11 10 8 1.092 110.630 -37.74 0.0000
15 O2N O E 10 8 6 1.226 122.116 -6.61 -0.5760
16 C3 Cg M 6 4 3 1.555 109.532 140.96 0.1800
17 H3 H1 E 16 6 4 1.092 108.635 -66.15 0.0000
18 O3 Oh S 16 6 4 1.462 112.173 174.68 -0.6810
19 H3O Ho E 18 16 6 0.964 110.728 66.33 0.4230
20 C4 Cg M 16 6 4 1.547 110.847 53.41 0.3020
21 H4 H1 E 20 16 6 1.092 109.529 65.76 0.0000
22 O4 Oh S 20 16 6 1.444 108.505 -175.54 -0.7160
23 H4O Ho E 22 20 16 0.967 106.789 -52.54 0.4360
24 C5 Cg M 20 16 6 1.542 111.743 -55.82 0.2080
25 H5 H1 E 24 20 16 1.092 109.079 -62.53 0.0000
26 O5 Os E 24 20 16 1.493 108.679 55.34 -0.4330
27 C6 Cg M 24 20 16 1.540 112.556 176.83 0.2890
28 H61 H1 E 27 24 20 1.090 110.526 60.82 0.0000
29 H62 H1 E 27 24 20 1.091 110.298 -59.01 0.0000
30 O6 Os M 27 24 20 1.439 109.712 -179.18 -0.4590
LOOP
O5 C1
DONE
7GL INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 O4 Oh S 11 8 4 1.459 108.592 172.16 -0.7990
14 H4O Ho E 13 11 8 0.960 109.015 167.74 0.4350
15 C5 Cg M 11 8 4 1.567 112.768 48.37 0.4560
16 H5 H1 E 15 11 8 1.092 108.297 68.08 0.0000
17 N5 Ng B 15 11 8 1.485 111.696 -171.77 -0.7570
18 H5N H E 17 15 11 1.009 118.343 39.83 0.3120
19 C5N C B 17 15 11 1.340 123.871 -145.50 0.6520
20 CME Cg 3 19 17 15 1.585 118.309 179.32 0.2780
21 H2M H1 E 20 19 17 1.090 107.247 -134.99 0.0000
22 H1M H1 E 20 19 17 1.090 107.406 109.99 0.0000
23 OHG Oh S 20 19 17 1.456 118.581 -12.68 -0.6530
24 HOG Ho E 23 20 19 0.961 109.618 -127.32 0.3850
25 O5N O E 19 17 15 1.229 120.643 -1.25 -0.6120
26 C6 Cg M 15 11 8 1.539 108.763 -49.82 0.0900
27 H6 H1 E 26 15 11 1.090 106.039 -60.75 0.0000
28 O6 Oy E 26 15 11 1.441 107.618 56.16 -0.3040
29 C7 Cg M 26 15 11 1.539 119.513 -178.30 0.2610
30 H7 H1 E 29 26 15 1.091 108.030 65.66 0.0000
31 C8 Cg 3 29 26 15 1.556 112.912 -174.86 0.2810
32 H8 H1 E 31 29 26 1.091 109.679 63.78 0.0000
33 C9 Cg 3 31 29 26 1.546 111.802 -175.39 0.2520
34 H9S H1 E 33 31 29 1.090 110.707 -58.01 0.0000
35 H9R H1 E 33 31 29 1.091 110.154 61.57 0.0000
36 O9 Oh S 33 31 29 1.442 110.110 -178.23 -0.6810
37 H9O Ho E 36 33 31 0.966 105.599 -41.84 0.4170
38 O8 Oh S 31 29 26 1.465 109.875 -55.42 -0.6830
39 H8O Ho E 38 31 29 0.989 111.171 71.70 0.4230
40 O7 Os M 29 26 15 1.451 109.645 -51.18 -0.4980
LOOP
O6 C2
DONE
7SA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 O4 Oh S 11 8 4 1.451 108.218 172.28 -0.7620
14 H4O Ho E 13 11 8 0.959 109.266 178.83 0.4150
15 C5 Cg M 11 8 4 1.560 113.169 49.81 0.3080
16 H5 H1 E 15 11 8 1.092 108.441 67.41 0.0000
17 N5 Ng B 15 11 8 1.484 111.436 -172.57 -0.6290
18 H5N H E 17 15 11 1.007 117.476 40.91 0.2800
19 C5N C B 17 15 11 1.337 123.580 -145.57 0.6320
20 CME Cg 3 19 17 15 1.541 116.316 -179.71 -0.0030
21 H3M Hc E 20 19 17 1.092 110.905 -29.98 0.0000
22 H2M Hc E 20 19 17 1.091 109.813 -150.00 0.0000
23 H1M Hc E 20 19 17 1.091 109.337 90.47 0.0000
24 O5N O E 19 17 15 1.228 122.141 -0.64 -0.5930
25 C6 Cg M 15 11 8 1.544 108.513 -50.35 0.2200
26 H6 H1 E 25 15 11 1.090 106.016 -61.45 0.0000
27 O6 Oy E 25 15 11 1.441 107.983 55.53 -0.4030
28 C7 Cg M 25 15 11 1.543 118.917 -178.92 0.1110
29 H7 H1 E 28 25 15 1.091 107.799 66.42 0.0000
30 C8 Cg 3 28 25 15 1.556 112.192 -175.03 0.4920
31 H8 H1 E 30 28 25 1.091 109.991 62.63 0.0000
32 C9 Cg 3 30 28 25 1.552 112.385 -175.84 0.1780
33 H9S H1 E 32 30 28 1.090 110.169 -56.42 0.0000
34 H9R H1 E 32 30 28 1.091 109.920 62.24 0.0000
35 O9 Oh S 32 30 28 1.449 111.722 -176.90 -0.6890
36 H9O Ho E 35 32 30 0.965 107.018 -49.30 0.4080
37 O8 Oh S 30 28 25 1.460 109.072 -56.72 -0.7390
38 H8O Ho E 37 30 28 0.983 110.254 72.72 0.4120
39 O7 Os M 28 25 15 1.460 110.189 -50.14 -0.4800
LOOP
O6 C2
DONE
7SB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C5 Cg 3 9 8 4 1.541 109.363 -58.37 0.5230
12 H5 H1 E 11 9 8 1.092 109.167 -66.57 0.0000
13 N5 Ng B 11 9 8 1.475 109.670 173.19 -0.6690
14 H5N H E 13 11 9 1.005 117.089 -78.72 0.2610
15 C5N C B 13 11 9 1.332 123.259 97.44 0.6780
16 O5N O E 15 13 11 1.226 121.725 -3.82 -0.6340
17 CME Cg 3 15 13 11 1.541 116.623 176.07 -0.0050
18 H3M Hc E 17 15 13 1.092 111.130 23.27 0.0000
19 H2M Hc E 17 15 13 1.091 109.294 -97.18 0.0000
20 H1M Hc E 17 15 13 1.091 109.699 143.39 0.0000
21 C4 Cg 3 11 9 8 1.555 110.257 52.05 0.2030
22 H4 H1 E 21 11 9 1.092 108.890 66.49 0.0000
23 O4 Oh S 21 11 9 1.460 112.068 -174.46 -0.7140
24 H4O Ho E 23 21 11 0.961 110.372 -59.82 0.3900
25 C3 Cg B 21 11 9 1.538 110.759 -52.78 0.1330
26 H3E Hc E 25 21 11 1.093 109.710 176.81 0.0000
27 H3A Hc E 25 21 11 1.093 108.781 -68.27 0.0000
28 C7 Cg M 9 8 4 1.547 109.625 172.11 0.2780
29 H7 H1 E 28 9 8 1.091 107.450 -165.18 0.0000
30 C8 Cg 3 28 9 8 1.556 114.439 -45.46 0.3670
31 H8 H1 E 30 28 9 1.091 109.577 68.20 0.0000
32 O8 Oh S 30 28 9 1.460 109.033 -50.18 -0.7040
33 H8O Ho E 32 30 28 0.967 107.039 66.84 0.3920
34 C9 Cg 3 30 28 9 1.547 112.389 -170.25 0.2010
35 H9S H1 E 34 30 28 1.090 110.247 -58.95 0.0000
36 H9R H1 E 34 30 28 1.091 110.087 60.19 0.0000
37 O9 Oh S 34 30 28 1.445 110.971 -179.23 -0.6720
38 H9O Ho E 37 34 30 0.965 106.904 -44.06 0.3930
39 O7 Os M 28 9 8 1.449 109.778 78.46 -0.4600
LOOP
C3 C2
DONE
7gL INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C5 Cg 3 9 8 4 1.539 107.618 68.71 0.4560
12 H5 H1 E 11 9 8 1.092 108.644 61.52 0.0000
13 N5 Ng B 11 9 8 1.485 110.283 -178.97 -0.7570
14 H5N H E 13 11 9 1.009 118.343 81.24 0.3120
15 C5N C B 13 11 9 1.340 123.871 -93.43 0.6520
16 O5N O E 15 13 11 1.229 120.643 1.25 -0.6120
17 CME Cg 3 15 13 11 1.585 118.309 -179.32 0.2780
18 H1M H1 E 17 15 13 1.090 107.406 -109.99 0.0000
19 H2M H1 E 17 15 13 1.090 107.247 134.99 0.0000
20 OHG Oh S 17 15 13 1.456 118.581 12.68 -0.6530
21 HOG Ho E 20 17 15 0.961 109.618 127.32 0.3850
22 C4 Cg 3 11 9 8 1.567 108.763 -56.16 0.3750
23 H4 H1 E 22 11 9 1.091 108.346 -69.62 0.0000
24 O4 Oh S 22 11 9 1.459 111.264 172.12 -0.7990
25 H4O Ho E 24 22 11 0.960 109.015 67.58 0.4350
26 C3 Cg B 22 11 9 1.542 112.768 49.82 0.0400
27 H3A Hc E 26 22 11 1.094 108.648 73.23 0.0000
28 H3E Hc E 26 22 11 1.092 110.246 -171.81 0.0000
29 C7 Cg M 9 8 4 1.539 109.452 -159.96 0.2610
30 H7 H1 E 29 9 8 1.091 108.030 169.67 0.0000
31 C8 Cg 3 29 9 8 1.556 112.912 50.19 0.2810
32 H8 H1 E 31 29 9 1.091 109.679 -63.78 0.0000
33 O8 Oh S 31 29 9 1.465 109.875 55.42 -0.6830
34 H8O Ho E 33 31 29 0.989 111.171 -71.70 0.4230
35 C9 Cg 3 31 29 9 1.546 111.802 175.39 0.2520
36 H9R H1 E 35 31 29 1.091 110.154 -61.57 0.0000
37 H9S H1 E 35 31 29 1.090 110.707 58.01 0.0000
38 O9 Oh S 35 31 29 1.442 110.110 178.23 -0.6810
39 H9O Ho E 38 35 31 0.966 105.599 41.84 0.4170
40 O7 Os M 29 9 8 1.451 109.645 -73.49 -0.4980
LOOP
C3 C2
DONE
7sA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C5 Cg 3 9 8 4 1.544 107.983 67.65 0.3080
12 H5 H1 E 11 9 8 1.092 108.575 62.14 0.0000
13 N5 Ng B 11 9 8 1.484 110.767 -178.16 -0.6290
14 H5N H E 13 11 9 1.007 117.476 80.00 0.2800
15 C5N C B 13 11 9 1.337 123.580 -93.52 0.6320
16 O5N O E 15 13 11 1.228 122.141 0.64 -0.5930
17 CME Cg 3 15 13 11 1.541 116.316 179.71 -0.0030
18 H1M Hc E 17 15 13 1.091 109.337 -90.47 0.0000
19 H2M Hc E 17 15 13 1.091 109.813 150.00 0.0000
20 H3M Hc E 17 15 13 1.092 110.905 29.98 0.0000
21 C4 Cg 3 11 9 8 1.560 108.513 -55.53 0.3320
22 H4 H1 E 21 11 9 1.091 108.674 -70.08 0.0000
23 O4 Oh S 21 11 9 1.451 110.232 171.69 -0.7620
24 H4O Ho E 23 21 11 0.959 109.266 56.92 0.4150
25 C3 Cg B 21 11 9 1.539 113.169 50.35 0.0060
26 H3A Hc E 25 21 11 1.094 108.947 71.64 0.0000
27 H3E Hc E 25 21 11 1.092 110.387 -172.94 0.0000
28 C7 Cg M 9 8 4 1.543 109.559 -161.44 0.1110
29 H7 H1 E 28 9 8 1.091 107.799 168.79 0.0000
30 C8 Cg 3 28 9 8 1.556 112.192 50.24 0.4920
31 H8 H1 E 30 28 9 1.091 109.991 -62.63 0.0000
32 O8 Oh S 30 28 9 1.460 109.072 56.72 -0.7390
33 H8O Ho E 32 30 28 0.983 110.254 -72.72 0.4120
34 C9 Cg 3 30 28 9 1.552 112.385 175.84 0.1780
35 H9R H1 E 34 30 28 1.091 109.920 -62.24 0.0000
36 H9S H1 E 34 30 28 1.090 110.169 56.42 0.0000
37 O9 Oh S 34 30 28 1.449 111.722 176.90 -0.6890
38 H9O Ho E 37 34 30 0.965 107.018 49.30 0.4080
39 O7 Os M 28 9 8 1.460 110.189 -74.65 -0.4800
LOOP
C3 C2
DONE
7sB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 O4 Oh S 11 8 4 1.460 108.780 -177.65 -0.7140
14 H4O Ho E 13 11 8 0.961 110.372 -177.37 0.3900
15 C5 Cg M 11 8 4 1.555 110.759 -54.06 0.5230
16 H5 H1 E 15 11 8 1.092 108.107 -66.49 0.0000
17 N5 Ng B 15 11 8 1.475 109.895 173.79 -0.6690
18 H5N H E 17 15 11 1.005 117.089 -42.64 0.2610
19 C5N C B 17 15 11 1.332 123.259 141.20 0.6780
20 CME Cg 3 19 17 15 1.541 116.623 -176.07 -0.0050
21 H1M Hc E 20 19 17 1.091 109.699 -143.39 0.0000
22 H2M Hc E 20 19 17 1.091 109.294 97.18 0.0000
23 H3M Hc E 20 19 17 1.092 111.130 -23.27 0.0000
24 O5N O E 19 17 15 1.226 121.725 3.82 -0.6340
25 C6 Cg M 15 11 8 1.541 110.257 52.78 -0.0080
26 H6 H1 E 25 15 11 1.092 107.098 63.94 0.0000
27 O6 Oy E 25 15 11 1.443 109.363 -52.05 -0.3440
28 C7 Cg M 25 15 11 1.547 117.009 -177.41 0.2780
29 H7 H1 E 28 25 15 1.091 107.450 -69.59 0.0000
30 C8 Cg 3 28 25 15 1.556 114.439 170.69 0.3670
31 H8 H1 E 30 28 25 1.091 109.577 -68.20 0.0000
32 C9 Cg 3 30 28 25 1.547 112.389 170.25 0.2010
33 H9R H1 E 32 30 28 1.091 110.087 -60.19 0.0000
34 H9S H1 E 32 30 28 1.090 110.247 58.95 0.0000
35 O9 Oh S 32 30 28 1.445 110.971 179.23 -0.6720
36 H9O Ho E 35 32 30 0.965 106.904 44.06 0.3930
37 O8 Oh S 30 28 25 1.460 109.033 50.18 -0.7040
38 H8O Ho E 37 30 28 0.967 107.039 -66.84 0.3920
39 O7 Os M 28 25 15 1.449 109.778 46.77 -0.4600
LOOP
O6 C2
DONE
8GL INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 O4 Oh S 11 8 4 1.459 108.592 172.16 -0.7990
14 H4O Ho E 13 11 8 0.960 109.015 167.74 0.4350
15 C5 Cg M 11 8 4 1.567 112.768 48.37 0.4560
16 H5 H1 E 15 11 8 1.092 108.297 68.08 0.0000
17 N5 Ng B 15 11 8 1.485 111.696 -171.77 -0.7570
18 H5N H E 17 15 11 1.009 118.343 39.83 0.3120
19 C5N C B 17 15 11 1.340 123.871 -145.50 0.6520
20 CME Cg 3 19 17 15 1.585 118.309 179.32 0.2780
21 H2M H1 E 20 19 17 1.090 107.247 -134.99 0.0000
22 H1M H1 E 20 19 17 1.090 107.406 109.99 0.0000
23 OHG Oh S 20 19 17 1.456 118.581 -12.68 -0.6530
24 HOG Ho E 23 20 19 0.961 109.618 -127.32 0.3850
25 O5N O E 19 17 15 1.229 120.643 -1.25 -0.6120
26 C6 Cg M 15 11 8 1.539 108.763 -49.82 0.0900
27 H6 H1 E 26 15 11 1.090 106.039 -60.75 0.0000
28 O6 Oy E 26 15 11 1.441 107.618 56.16 -0.3040
29 C7 Cg M 26 15 11 1.539 119.513 -178.30 0.2610
30 H7 H1 E 29 26 15 1.091 108.030 65.66 0.0000
31 O7 Oh S 29 26 15 1.451 109.645 -51.18 -0.7120
32 H7O Ho E 31 29 26 0.975 109.093 67.68 0.4080
33 C8 Cg M 29 26 15 1.556 112.912 -174.86 0.2810
34 H8 H1 E 33 29 26 1.091 109.679 63.78 0.0000
35 C9 Cg 3 33 29 26 1.546 111.802 -175.39 0.2520
36 H9S H1 E 35 33 29 1.090 110.707 -58.01 0.0000
37 H9R H1 E 35 33 29 1.091 110.154 61.57 0.0000
38 O9 Oh S 35 33 29 1.442 110.110 -178.23 -0.6810
39 H9O Ho E 38 35 33 0.966 105.599 -41.84 0.4170
40 O8 Os M 33 29 26 1.465 109.875 -55.42 -0.4540
LOOP
O6 C2
DONE
8SA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 O4 Oh S 11 8 4 1.451 108.218 172.28 -0.7620
14 H4O Ho E 13 11 8 0.959 109.266 178.83 0.4150
15 C5 Cg M 11 8 4 1.560 113.169 49.81 0.3080
16 H5 H1 E 15 11 8 1.092 108.441 67.41 0.0000
17 N5 Ng B 15 11 8 1.484 111.436 -172.57 -0.6290
18 H5N H E 17 15 11 1.007 117.476 40.91 0.2800
19 C5N C B 17 15 11 1.337 123.580 -145.57 0.6320
20 CME Cg 3 19 17 15 1.541 116.316 -179.71 -0.0030
21 H3M Hc E 20 19 17 1.092 110.905 -29.98 0.0000
22 H2M Hc E 20 19 17 1.091 109.813 -150.00 0.0000
23 H1M Hc E 20 19 17 1.091 109.337 90.47 0.0000
24 O5N O E 19 17 15 1.228 122.141 -0.64 -0.5930
25 C6 Cg M 15 11 8 1.544 108.513 -50.35 0.2200
26 H6 H1 E 25 15 11 1.090 106.016 -61.45 0.0000
27 O6 Oy E 25 15 11 1.441 107.983 55.53 -0.4030
28 C7 Cg M 25 15 11 1.543 118.917 -178.92 0.1110
29 H7 H1 E 28 25 15 1.091 107.799 66.42 0.0000
30 O7 Oh S 28 25 15 1.460 110.189 -50.14 -0.7210
31 H7O Ho E 30 28 25 0.977 109.950 68.18 0.4350
32 C8 Cg M 28 25 15 1.556 112.192 -175.03 0.4920
33 H8 H1 E 32 28 25 1.091 109.991 62.63 0.0000
34 C9 Cg 3 32 28 25 1.552 112.385 -175.84 0.1780
35 H9S H1 E 34 32 28 1.090 110.169 -56.42 0.0000
36 H9R H1 E 34 32 28 1.091 109.920 62.24 0.0000
37 O9 Oh S 34 32 28 1.449 111.722 -176.90 -0.6890
38 H9O Ho E 37 34 32 0.965 107.018 -49.30 0.4080
39 O8 Os M 32 28 25 1.460 109.072 -56.72 -0.5210
LOOP
O6 C2
DONE
8SB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C5 Cg 3 9 8 4 1.541 109.363 -58.37 0.5230
12 H5 H1 E 11 9 8 1.092 109.167 -66.57 0.0000
13 N5 Ng B 11 9 8 1.475 109.670 173.19 -0.6690
14 H5N H E 13 11 9 1.005 117.089 -78.72 0.2610
15 C5N C B 13 11 9 1.332 123.259 97.44 0.6780
16 O5N O E 15 13 11 1.226 121.725 -3.82 -0.6340
17 CME Cg 3 15 13 11 1.541 116.623 176.07 -0.0050
18 H3M Hc E 17 15 13 1.092 111.130 23.27 0.0000
19 H2M Hc E 17 15 13 1.091 109.294 -97.18 0.0000
20 H1M Hc E 17 15 13 1.091 109.699 143.39 0.0000
21 C4 Cg 3 11 9 8 1.555 110.257 52.05 0.2030
22 H4 H1 E 21 11 9 1.092 108.890 66.49 0.0000
23 O4 Oh S 21 11 9 1.460 112.068 -174.46 -0.7140
24 H4O Ho E 23 21 11 0.961 110.372 -59.82 0.3900
25 C3 Cg B 21 11 9 1.538 110.759 -52.78 0.1330
26 H3E Hc E 25 21 11 1.093 109.710 176.81 0.0000
27 H3A Hc E 25 21 11 1.093 108.781 -68.27 0.0000
28 C7 Cg M 9 8 4 1.547 109.625 172.11 0.2780
29 H7 H1 E 28 9 8 1.091 107.450 -165.18 0.0000
30 O7 Oh S 28 9 8 1.449 109.778 78.46 -0.6560
31 H7O Ho E 30 28 9 0.974 109.644 69.17 0.3900
32 C8 Cg M 28 9 8 1.556 114.439 -45.46 0.3670
33 H8 H1 E 32 28 9 1.091 109.577 68.20 0.0000
34 C9 Cg 3 32 28 9 1.547 112.389 -170.25 0.2010
35 H9S H1 E 34 32 28 1.090 110.247 -58.95 0.0000
36 H9R H1 E 34 32 28 1.091 110.087 60.19 0.0000
37 O9 Oh S 34 32 28 1.445 110.971 -179.23 -0.6720
38 H9O Ho E 37 34 32 0.965 106.904 -44.06 0.3930
39 O8 Os M 32 28 9 1.460 109.033 -50.18 -0.5060
LOOP
C3 C2
DONE
8gL INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C5 Cg 3 9 8 4 1.539 107.618 68.71 0.4560
12 H5 H1 E 11 9 8 1.092 108.644 61.52 0.0000
13 N5 Ng B 11 9 8 1.485 110.283 -178.97 -0.7570
14 H5N H E 13 11 9 1.009 118.343 81.24 0.3120
15 C5N C B 13 11 9 1.340 123.871 -93.43 0.6520
16 O5N O E 15 13 11 1.229 120.643 1.25 -0.6120
17 CME Cg 3 15 13 11 1.585 118.309 -179.32 0.2780
18 H1M H1 E 17 15 13 1.090 107.406 -109.99 0.0000
19 H2M H1 E 17 15 13 1.090 107.247 134.99 0.0000
20 OHG Oh S 17 15 13 1.456 118.581 12.68 -0.6530
21 HOG Ho E 20 17 15 0.961 109.618 127.32 0.3850
22 C4 Cg 3 11 9 8 1.567 108.763 -56.16 0.3750
23 H4 H1 E 22 11 9 1.091 108.346 -69.62 0.0000
24 O4 Oh S 22 11 9 1.459 111.264 172.12 -0.7990
25 H4O Ho E 24 22 11 0.960 109.015 67.58 0.4350
26 C3 Cg B 22 11 9 1.542 112.768 49.82 0.0400
27 H3A Hc E 26 22 11 1.094 108.648 73.23 0.0000
28 H3E Hc E 26 22 11 1.092 110.246 -171.81 0.0000
29 C7 Cg M 9 8 4 1.539 109.452 -159.96 0.2610
30 H7 H1 E 29 9 8 1.091 108.030 169.67 0.0000
31 O7 Oh S 29 9 8 1.451 109.645 -73.49 -0.7120
32 H7O Ho E 31 29 9 0.975 109.093 -67.68 0.4080
33 C8 Cg M 29 9 8 1.556 112.912 50.19 0.2810
34 H8 H1 E 33 29 9 1.091 109.679 -63.78 0.0000
35 C9 Cg 3 33 29 9 1.546 111.802 175.39 0.2520
36 H9R H1 E 35 33 29 1.091 110.154 -61.57 0.0000
37 H9S H1 E 35 33 29 1.090 110.707 58.01 0.0000
38 O9 Oh S 35 33 29 1.442 110.110 178.23 -0.6810
39 H9O Ho E 38 35 33 0.966 105.599 41.84 0.4170
40 O8 Os M 33 29 9 1.465 109.875 55.42 -0.4540
LOOP
C3 C2
DONE
8sA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C5 Cg 3 9 8 4 1.544 107.983 67.65 0.3080
12 H5 H1 E 11 9 8 1.092 108.575 62.14 0.0000
13 N5 Ng B 11 9 8 1.484 110.767 -178.16 -0.6290
14 H5N H E 13 11 9 1.007 117.476 80.00 0.2800
15 C5N C B 13 11 9 1.337 123.580 -93.52 0.6320
16 O5N O E 15 13 11 1.228 122.141 0.64 -0.5930
17 CME Cg 3 15 13 11 1.541 116.316 179.71 -0.0030
18 H1M Hc E 17 15 13 1.091 109.337 -90.47 0.0000
19 H2M Hc E 17 15 13 1.091 109.813 150.00 0.0000
20 H3M Hc E 17 15 13 1.092 110.905 29.98 0.0000
21 C4 Cg 3 11 9 8 1.560 108.513 -55.53 0.3320
22 H4 H1 E 21 11 9 1.091 108.674 -70.08 0.0000
23 O4 Oh S 21 11 9 1.451 110.232 171.69 -0.7620
24 H4O Ho E 23 21 11 0.959 109.266 56.92 0.4150
25 C3 Cg B 21 11 9 1.539 113.169 50.35 0.0060
26 H3A Hc E 25 21 11 1.094 108.947 71.64 0.0000
27 H3E Hc E 25 21 11 1.092 110.387 -172.94 0.0000
28 C7 Cg M 9 8 4 1.543 109.559 -161.44 0.1110
29 H7 H1 E 28 9 8 1.091 107.799 168.79 0.0000
30 O7 Oh S 28 9 8 1.460 110.189 -74.65 -0.7210
31 H7O Ho E 30 28 9 0.977 109.950 -68.18 0.4350
32 C8 Cg M 28 9 8 1.556 112.192 50.24 0.4920
33 H8 H1 E 32 28 9 1.091 109.991 -62.63 0.0000
34 C9 Cg 3 32 28 9 1.552 112.385 175.84 0.1780
35 H9R H1 E 34 32 28 1.091 109.920 -62.24 0.0000
36 H9S H1 E 34 32 28 1.090 110.169 56.42 0.0000
37 O9 Oh S 34 32 28 1.449 111.722 176.90 -0.6890
38 H9O Ho E 37 34 32 0.965 107.018 49.30 0.4080
39 O8 Os M 32 28 9 1.460 109.072 56.72 -0.5210
LOOP
C3 C2
DONE
8sB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 O4 Oh S 11 8 4 1.460 108.780 -177.65 -0.7140
14 H4O Ho E 13 11 8 0.961 110.372 -177.37 0.3900
15 C5 Cg M 11 8 4 1.555 110.759 -54.06 0.5230
16 H5 H1 E 15 11 8 1.092 108.107 -66.49 0.0000
17 N5 Ng B 15 11 8 1.475 109.895 173.79 -0.6690
18 H5N H E 17 15 11 1.005 117.089 -42.64 0.2610
19 C5N C B 17 15 11 1.332 123.259 141.20 0.6780
20 CME Cg 3 19 17 15 1.541 116.623 -176.07 -0.0050
21 H1M Hc E 20 19 17 1.091 109.699 -143.39 0.0000
22 H2M Hc E 20 19 17 1.091 109.294 97.18 0.0000
23 H3M Hc E 20 19 17 1.092 111.130 -23.27 0.0000
24 O5N O E 19 17 15 1.226 121.725 3.82 -0.6340
25 C6 Cg M 15 11 8 1.541 110.257 52.78 -0.0080
26 H6 H1 E 25 15 11 1.092 107.098 63.94 0.0000
27 O6 Oy E 25 15 11 1.443 109.363 -52.05 -0.3440
28 C7 Cg M 25 15 11 1.547 117.009 -177.41 0.2780
29 H7 H1 E 28 25 15 1.091 107.450 -69.59 0.0000
30 O7 Oh S 28 25 15 1.449 109.778 46.77 -0.6560
31 H7O Ho E 30 28 25 0.974 109.644 -69.17 0.3900
32 C8 Cg M 28 25 15 1.556 114.439 170.69 0.3670
33 H8 H1 E 32 28 25 1.091 109.577 -68.20 0.0000
34 C9 Cg 3 32 28 25 1.547 112.389 170.25 0.2010
35 H9R H1 E 34 32 28 1.091 110.087 -60.19 0.0000
36 H9S H1 E 34 32 28 1.090 110.247 58.95 0.0000
37 O9 Oh S 34 32 28 1.445 110.971 179.23 -0.6720
38 H9O Ho E 37 34 32 0.965 106.904 44.06 0.3930
39 O8 Os M 32 28 25 1.460 109.033 50.18 -0.5060
LOOP
O6 C2
DONE
9GL INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 O4 Oh S 11 8 4 1.459 108.592 172.16 -0.7990
14 H4O Ho E 13 11 8 0.960 109.015 167.74 0.4350
15 C5 Cg M 11 8 4 1.567 112.768 48.37 0.4560
16 H5 H1 E 15 11 8 1.092 108.297 68.08 0.0000
17 N5 Ng B 15 11 8 1.485 111.696 -171.77 -0.7570
18 H5N H E 17 15 11 1.009 118.343 39.83 0.3120
19 C5N C B 17 15 11 1.340 123.871 -145.50 0.6520
20 CME Cg 3 19 17 15 1.585 118.309 179.32 0.2780
21 H2M H1 E 20 19 17 1.090 107.247 -134.99 0.0000
22 H1M H1 E 20 19 17 1.090 107.406 109.99 0.0000
23 OHG Oh S 20 19 17 1.456 118.581 -12.68 -0.6530
24 HOG Ho E 23 20 19 0.961 109.618 -127.32 0.3850
25 O5N O E 19 17 15 1.229 120.643 -1.25 -0.6120
26 C6 Cg M 15 11 8 1.539 108.763 -49.82 0.0900
27 H6 H1 E 26 15 11 1.090 106.039 -60.75 0.0000
28 O6 Oy E 26 15 11 1.441 107.618 56.16 -0.3040
29 C7 Cg M 26 15 11 1.539 119.513 -178.30 0.2610
30 H7 H1 E 29 26 15 1.091 108.030 65.66 0.0000
31 O7 Oh S 29 26 15 1.451 109.645 -51.18 -0.7120
32 H7O Ho E 31 29 26 0.975 109.093 67.68 0.4080
33 C8 Cg M 29 26 15 1.556 112.912 -174.86 0.2810
34 H8 H1 E 33 29 26 1.091 109.679 63.78 0.0000
35 O8 Oh S 33 29 26 1.465 109.875 -55.42 -0.6830
36 H8O Ho E 35 33 29 0.989 111.171 71.70 0.4230
37 C9 Cg M 33 29 26 1.546 111.802 -175.39 0.2520
38 H9S H1 E 37 33 29 1.090 110.707 -58.01 0.0000
39 H9R H1 E 37 33 29 1.091 110.154 61.57 0.0000
40 O9 Os M 37 33 29 1.442 110.110 -178.23 -0.4580
LOOP
O6 C2
DONE
9SA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 O4 Oh S 11 8 4 1.451 108.218 172.28 -0.7620
14 H4O Ho E 13 11 8 0.959 109.266 178.83 0.4150
15 C5 Cg M 11 8 4 1.560 113.169 49.81 0.3080
16 H5 H1 E 15 11 8 1.092 108.441 67.41 0.0000
17 N5 Ng B 15 11 8 1.484 111.436 -172.57 -0.6290
18 H5N H E 17 15 11 1.007 117.476 40.91 0.2800
19 C5N C B 17 15 11 1.337 123.580 -145.57 0.6320
20 CME Cg 3 19 17 15 1.541 116.316 -179.71 -0.0030
21 H3M Hc E 20 19 17 1.092 110.905 -29.98 0.0000
22 H2M Hc E 20 19 17 1.091 109.813 -150.00 0.0000
23 H1M Hc E 20 19 17 1.091 109.337 90.47 0.0000
24 O5N O E 19 17 15 1.228 122.141 -0.64 -0.5930
25 C6 Cg M 15 11 8 1.544 108.513 -50.35 0.2200
26 H6 H1 E 25 15 11 1.090 106.016 -61.45 0.0000
27 O6 Oy E 25 15 11 1.441 107.983 55.53 -0.4030
28 C7 Cg M 25 15 11 1.543 118.917 -178.92 0.1110
29 H7 H1 E 28 25 15 1.091 107.799 66.42 0.0000
30 O7 Oh S 28 25 15 1.460 110.189 -50.14 -0.7210
31 H7O Ho E 30 28 25 0.977 109.950 68.18 0.4350
32 C8 Cg M 28 25 15 1.556 112.192 -175.03 0.4920
33 H8 H1 E 32 28 25 1.091 109.991 62.63 0.0000
34 O8 Oh S 32 28 25 1.460 109.072 -56.72 -0.7390
35 H8O Ho E 34 32 28 0.983 110.254 72.72 0.4120
36 C9 Cg M 32 28 25 1.552 112.385 -175.84 0.1780
37 H9S H1 E 36 32 28 1.090 110.169 -56.42 0.0000
38 H9R H1 E 36 32 28 1.091 109.920 62.24 0.0000
39 O9 Os M 36 32 28 1.449 111.722 -176.90 -0.4750
LOOP
O6 C2
DONE
9SB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C5 Cg 3 9 8 4 1.541 109.363 -58.37 0.5230
12 H5 H1 E 11 9 8 1.092 109.167 -66.57 0.0000
13 N5 Ng B 11 9 8 1.475 109.670 173.19 -0.6690
14 H5N H E 13 11 9 1.005 117.089 -78.72 0.2610
15 C5N C B 13 11 9 1.332 123.259 97.44 0.6780
16 O5N O E 15 13 11 1.226 121.725 -3.82 -0.6340
17 CME Cg 3 15 13 11 1.541 116.623 176.07 -0.0050
18 H3M Hc E 17 15 13 1.092 111.130 23.27 0.0000
19 H2M Hc E 17 15 13 1.091 109.294 -97.18 0.0000
20 H1M Hc E 17 15 13 1.091 109.699 143.39 0.0000
21 C4 Cg 3 11 9 8 1.555 110.257 52.05 0.2030
22 H4 H1 E 21 11 9 1.092 108.890 66.49 0.0000
23 O4 Oh S 21 11 9 1.460 112.068 -174.46 -0.7140
24 H4O Ho E 23 21 11 0.961 110.372 -59.82 0.3900
25 C3 Cg B 21 11 9 1.538 110.759 -52.78 0.1330
26 H3E Hc E 25 21 11 1.093 109.710 176.81 0.0000
27 H3A Hc E 25 21 11 1.093 108.781 -68.27 0.0000
28 C7 Cg M 9 8 4 1.547 109.625 172.11 0.2780
29 H7 H1 E 28 9 8 1.091 107.450 -165.18 0.0000
30 O7 Oh S 28 9 8 1.449 109.778 78.46 -0.6560
31 H7O Ho E 30 28 9 0.974 109.644 69.17 0.3900
32 C8 Cg M 28 9 8 1.556 114.439 -45.46 0.3670
33 H8 H1 E 32 28 9 1.091 109.577 68.20 0.0000
34 O8 Oh S 32 28 9 1.460 109.033 -50.18 -0.7040
35 H8O Ho E 34 32 28 0.967 107.039 66.84 0.3920
36 C9 Cg M 32 28 9 1.547 112.389 -170.25 0.2010
37 H9S H1 E 36 32 28 1.090 110.247 -58.95 0.0000
38 H9R H1 E 36 32 28 1.091 110.087 60.19 0.0000
39 O9 Os M 36 32 28 1.445 110.971 -179.23 -0.4730
LOOP
C3 C2
DONE
9gL INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C5 Cg 3 9 8 4 1.539 107.618 68.71 0.4560
12 H5 H1 E 11 9 8 1.092 108.644 61.52 0.0000
13 N5 Ng B 11 9 8 1.485 110.283 -178.97 -0.7570
14 H5N H E 13 11 9 1.009 118.343 81.24 0.3120
15 C5N C B 13 11 9 1.340 123.871 -93.43 0.6520
16 O5N O E 15 13 11 1.229 120.643 1.25 -0.6120
17 CME Cg 3 15 13 11 1.585 118.309 -179.32 0.2780
18 H1M H1 E 17 15 13 1.090 107.406 -109.99 0.0000
19 H2M H1 E 17 15 13 1.090 107.247 134.99 0.0000
20 OHG Oh S 17 15 13 1.456 118.581 12.68 -0.6530
21 HOG Ho E 20 17 15 0.961 109.618 127.32 0.3850
22 C4 Cg 3 11 9 8 1.567 108.763 -56.16 0.3750
23 H4 H1 E 22 11 9 1.091 108.346 -69.62 0.0000
24 O4 Oh S 22 11 9 1.459 111.264 172.12 -0.7990
25 H4O Ho E 24 22 11 0.960 109.015 67.58 0.4350
26 C3 Cg B 22 11 9 1.542 112.768 49.82 0.0400
27 H3A Hc E 26 22 11 1.094 108.648 73.23 0.0000
28 H3E Hc E 26 22 11 1.092 110.246 -171.81 0.0000
29 C7 Cg M 9 8 4 1.539 109.452 -159.96 0.2610
30 H7 H1 E 29 9 8 1.091 108.030 169.67 0.0000
31 O7 Oh S 29 9 8 1.451 109.645 -73.49 -0.7120
32 H7O Ho E 31 29 9 0.975 109.093 -67.68 0.4080
33 C8 Cg M 29 9 8 1.556 112.912 50.19 0.2810
34 H8 H1 E 33 29 9 1.091 109.679 -63.78 0.0000
35 O8 Oh S 33 29 9 1.465 109.875 55.42 -0.6830
36 H8O Ho E 35 33 29 0.989 111.171 -71.70 0.4230
37 C9 Cg M 33 29 9 1.546 111.802 175.39 0.2520
38 H9R H1 E 37 33 29 1.091 110.154 -61.57 0.0000
39 H9S H1 E 37 33 29 1.090 110.707 58.01 0.0000
40 O9 Os M 37 33 29 1.442 110.110 178.23 -0.4580
LOOP
C3 C2
DONE
9sA INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C5 Cg 3 9 8 4 1.544 107.983 67.65 0.3080
12 H5 H1 E 11 9 8 1.092 108.575 62.14 0.0000
13 N5 Ng B 11 9 8 1.484 110.767 -178.16 -0.6290
14 H5N H E 13 11 9 1.007 117.476 80.00 0.2800
15 C5N C B 13 11 9 1.337 123.580 -93.52 0.6320
16 O5N O E 15 13 11 1.228 122.141 0.64 -0.5930
17 CME Cg 3 15 13 11 1.541 116.316 179.71 -0.0030
18 H1M Hc E 17 15 13 1.091 109.337 -90.47 0.0000
19 H2M Hc E 17 15 13 1.091 109.813 150.00 0.0000
20 H3M Hc E 17 15 13 1.092 110.905 29.98 0.0000
21 C4 Cg 3 11 9 8 1.560 108.513 -55.53 0.3320
22 H4 H1 E 21 11 9 1.091 108.674 -70.08 0.0000
23 O4 Oh S 21 11 9 1.451 110.232 171.69 -0.7620
24 H4O Ho E 23 21 11 0.959 109.266 56.92 0.4150
25 C3 Cg B 21 11 9 1.539 113.169 50.35 0.0060
26 H3A Hc E 25 21 11 1.094 108.947 71.64 0.0000
27 H3E Hc E 25 21 11 1.092 110.387 -172.94 0.0000
28 C7 Cg M 9 8 4 1.543 109.559 -161.44 0.1110
29 H7 H1 E 28 9 8 1.091 107.799 168.79 0.0000
30 O7 Oh S 28 9 8 1.460 110.189 -74.65 -0.7210
31 H7O Ho E 30 28 9 0.977 109.950 -68.18 0.4350
32 C8 Cg M 28 9 8 1.556 112.192 50.24 0.4920
33 H8 H1 E 32 28 9 1.091 109.991 -62.63 0.0000
34 O8 Oh S 32 28 9 1.460 109.072 56.72 -0.7390
35 H8O Ho E 34 32 28 0.983 110.254 -72.72 0.4120
36 C9 Cg M 32 28 9 1.552 112.385 175.84 0.1780
37 H9R H1 E 36 32 28 1.091 109.920 -62.24 0.0000
38 H9S H1 E 36 32 28 1.090 110.169 56.42 0.0000
39 O9 Os M 36 32 28 1.449 111.722 176.90 -0.4750
LOOP
C3 C2
DONE
9sB INT 0
CORRECT OMIT DU BEG
-1.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 O4 Oh S 11 8 4 1.460 108.780 -177.65 -0.7140
14 H4O Ho E 13 11 8 0.961 110.372 -177.37 0.3900
15 C5 Cg M 11 8 4 1.555 110.759 -54.06 0.5230
16 H5 H1 E 15 11 8 1.092 108.107 -66.49 0.0000
17 N5 Ng B 15 11 8 1.475 109.895 173.79 -0.6690
18 H5N H E 17 15 11 1.005 117.089 -42.64 0.2610
19 C5N C B 17 15 11 1.332 123.259 141.20 0.6780
20 CME Cg 3 19 17 15 1.541 116.623 -176.07 -0.0050
21 H1M Hc E 20 19 17 1.091 109.699 -143.39 0.0000
22 H2M Hc E 20 19 17 1.091 109.294 97.18 0.0000
23 H3M Hc E 20 19 17 1.092 111.130 -23.27 0.0000
24 O5N O E 19 17 15 1.226 121.725 3.82 -0.6340
25 C6 Cg M 15 11 8 1.541 110.257 52.78 -0.0080
26 H6 H1 E 25 15 11 1.092 107.098 63.94 0.0000
27 O6 Oy E 25 15 11 1.443 109.363 -52.05 -0.3440
28 C7 Cg M 25 15 11 1.547 117.009 -177.41 0.2780
29 H7 H1 E 28 25 15 1.091 107.450 -69.59 0.0000
30 O7 Oh S 28 25 15 1.449 109.778 46.77 -0.6560
31 H7O Ho E 30 28 25 0.974 109.644 -69.17 0.3900
32 C8 Cg M 28 25 15 1.556 114.439 170.69 0.3670
33 H8 H1 E 32 28 25 1.091 109.577 -68.20 0.0000
34 O8 Oh S 32 28 25 1.460 109.033 50.18 -0.7040
35 H8O Ho E 34 32 28 0.967 107.039 -66.84 0.3920
36 C9 Cg M 32 28 25 1.547 112.389 170.25 0.2010
37 H9R H1 E 36 32 28 1.091 110.087 -60.19 0.0000
38 H9S H1 E 36 32 28 1.090 110.247 58.95 0.0000
39 O9 Os M 36 32 28 1.445 110.971 179.23 -0.4730
LOOP
O6 C2
DONE
Acetylation residue: +0.008 must be added to sugar-ring carbon at the linkage, bond Ox on sugar to C1A
ACX INT 0
CORRECT OMIT DU BEG
0.1860
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1A C M 3 2 1 10.790 119.668 -167.92 0.7630
5 O1A O E 4 3 2 1.185 87.556 -9.11 -0.6120
6 C2A Cg 3 4 3 2 1.504 148.470 173.56 0.0350
7 H1A Hc E 6 4 3 1.083 113.818 179.35 0.0000
8 H2A Hc E 6 4 3 1.078 101.783 59.35 0.0000
9 H3A Hc E 6 4 3 1.083 103.818 -60.65 0.0000
DONE
AGL INT 0
CORRECT OMIT DU BEG
-1.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 C5 Cg 3 11 8 4 1.567 112.768 48.37 0.4560
14 H5 H1 E 13 11 8 1.092 108.297 68.08 0.0000
15 C6 Cg 3 13 11 8 1.539 108.763 -49.82 0.0900
16 H6 H1 E 15 13 11 1.090 106.039 -60.75 0.0000
17 C7 Cg 3 15 13 11 1.539 119.513 -178.30 0.2610
18 H7 H1 E 17 15 13 1.091 108.030 65.66 0.0000
19 C8 Cg 3 17 15 13 1.556 112.912 -174.86 0.2810
20 H8 H1 E 19 17 15 1.091 109.679 63.78 0.0000
21 C9 Cg 3 19 17 15 1.546 111.802 -175.39 0.2520
22 H9S H1 E 21 19 17 1.090 110.707 -58.01 0.0000
23 H9R H1 E 21 19 17 1.091 110.154 61.57 0.0000
24 O9 Os E 21 19 17 1.442 110.110 -178.23 -0.4580
25 O8 Os E 19 17 15 1.465 109.875 -55.42 -0.4540
26 O7 Os E 17 15 13 1.451 109.645 -51.18 -0.4980
27 O6 Oy E 15 13 11 1.441 107.618 56.16 -0.3040
28 N5 Ng B 13 11 8 1.485 111.696 -171.77 -0.7570
29 H5N H E 28 13 11 1.009 118.343 39.83 0.3120
30 C5N C B 28 13 11 1.340 123.871 -145.50 0.6520
31 CME Cg 3 30 28 13 1.585 118.309 179.32 0.2780
32 H2M H1 E 31 30 28 1.090 107.247 -134.99 0.0000
33 H1M H1 E 31 30 28 1.090 107.406 109.99 0.0000
34 OHG Oh S 31 30 28 1.456 118.581 -12.68 -0.6530
35 HOG Ho E 34 31 30 0.961 109.618 -127.32 0.3850
36 O5N O E 30 28 13 1.229 120.643 -1.25 -0.6120
37 O4 Os M 11 8 4 1.459 108.592 172.16 -0.5580
LOOP
O6 C2
DONE
ASA INT 0
CORRECT OMIT DU BEG
-1.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 C5 Cg 3 11 8 4 1.560 113.169 49.81 0.3080
14 H5 H1 E 13 11 8 1.092 108.441 67.41 0.0000
15 C6 Cg 3 13 11 8 1.544 108.513 -50.35 0.2200
16 H6 H1 E 15 13 11 1.090 106.016 -61.45 0.0000
17 C7 Cg 3 15 13 11 1.543 118.917 -178.92 0.1110
18 H7 H1 E 17 15 13 1.091 107.799 66.42 0.0000
19 C8 Cg 3 17 15 13 1.556 112.192 -175.03 0.4920
20 H8 H1 E 19 17 15 1.091 109.991 62.63 0.0000
21 C9 Cg 3 19 17 15 1.552 112.385 -175.84 0.1780
22 H9S H1 E 21 19 17 1.090 110.169 -56.42 0.0000
23 H9R H1 E 21 19 17 1.091 109.920 62.24 0.0000
24 O9 Os E 21 19 17 1.449 111.722 -176.90 -0.4750
25 O8 Os E 19 17 15 1.460 109.072 -56.72 -0.5210
26 O7 Os E 17 15 13 1.460 110.189 -50.14 -0.4800
27 O6 Oy E 15 13 11 1.441 107.983 55.53 -0.4030
28 N5 Ng B 13 11 8 1.484 111.436 -172.57 -0.6290
29 H5N H E 28 13 11 1.007 117.476 40.91 0.2800
30 C5N C B 28 13 11 1.337 123.580 -145.57 0.6320
31 CME Cg 3 30 28 13 1.541 116.316 -179.71 -0.0030
32 H3M Hc E 31 30 28 1.092 110.905 -29.98 0.0000
33 H2M Hc E 31 30 28 1.091 109.813 -150.00 0.0000
34 H1M Hc E 31 30 28 1.091 109.337 90.47 0.0000
35 O5N O E 30 28 13 1.228 122.141 -0.64 -0.5930
36 O4 Os M 11 8 4 1.451 108.218 172.28 -0.5410
LOOP
O6 C2
DONE
ASB INT 0
CORRECT OMIT DU BEG
-1.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C7 Cg 3 9 8 4 1.547 109.625 172.11 0.2780
12 H7 H1 E 11 9 8 1.091 107.450 -165.18 0.0000
13 O7 Os E 11 9 8 1.449 109.778 78.46 -0.4600
14 C8 Cg 3 11 9 8 1.556 114.439 -45.46 0.3670
15 H8 H1 E 14 11 9 1.091 109.577 68.20 0.0000
16 O8 Os E 14 11 9 1.460 109.033 -50.18 -0.5060
17 C9 Cg 3 14 11 9 1.547 112.389 -170.25 0.2010
18 H9S H1 E 17 14 11 1.090 110.247 -58.95 0.0000
19 H9R H1 E 17 14 11 1.091 110.087 60.19 0.0000
20 O9 Os E 17 14 11 1.445 110.971 -179.23 -0.4730
21 C5 Cg M 9 8 4 1.541 109.363 -58.37 0.5230
22 H5 H1 E 21 9 8 1.092 109.167 -66.57 0.0000
23 N5 Ng B 21 9 8 1.475 109.670 173.19 -0.6690
24 H5N H E 23 21 9 1.005 117.089 -78.72 0.2610
25 C5N C B 23 21 9 1.332 123.259 97.44 0.6780
26 O5N O E 25 23 21 1.226 121.725 -3.82 -0.6340
27 CME Cg 3 25 23 21 1.541 116.623 176.07 -0.0050
28 H3M Hc E 27 25 23 1.092 111.130 23.27 0.0000
29 H2M Hc E 27 25 23 1.091 109.294 -97.18 0.0000
30 H1M Hc E 27 25 23 1.091 109.699 143.39 0.0000
31 C4 Cg M 21 9 8 1.555 110.257 52.05 0.2030
32 H4 H1 E 31 21 9 1.092 108.890 66.49 0.0000
33 C3 Cg B 31 21 9 1.538 110.759 -52.78 0.1330
34 H3E Hc E 33 31 21 1.093 109.710 176.81 0.0000
35 H3A Hc E 33 31 21 1.093 108.781 -68.27 0.0000
36 O4 Os M 31 21 9 1.460 112.068 -174.46 -0.5180
LOOP
C3 C2
DONE
AgL INT 0
CORRECT OMIT DU BEG
-1.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C7 Cg 3 9 8 4 1.539 109.452 -159.96 0.2610
12 H7 H1 E 11 9 8 1.091 108.030 169.67 0.0000
13 O7 Os E 11 9 8 1.451 109.645 -73.49 -0.4980
14 C8 Cg 3 11 9 8 1.556 112.912 50.19 0.2810
15 H8 H1 E 14 11 9 1.091 109.679 -63.78 0.0000
16 O8 Os E 14 11 9 1.465 109.875 55.42 -0.4540
17 C9 Cg 3 14 11 9 1.546 111.802 175.39 0.2520
18 H9R H1 E 17 14 11 1.091 110.154 -61.57 0.0000
19 H9S H1 E 17 14 11 1.090 110.707 58.01 0.0000
20 O9 Os E 17 14 11 1.442 110.110 178.23 -0.4580
21 C5 Cg M 9 8 4 1.539 107.618 68.71 0.4560
22 H5 H1 E 21 9 8 1.092 108.644 61.52 0.0000
23 N5 Ng B 21 9 8 1.485 110.283 -178.97 -0.7570
24 H5N H E 23 21 9 1.009 118.343 81.24 0.3120
25 C5N C B 23 21 9 1.340 123.871 -93.43 0.6520
26 O5N O E 25 23 21 1.229 120.643 1.25 -0.6120
27 CME Cg 3 25 23 21 1.585 118.309 -179.32 0.2780
28 H1M H1 E 27 25 23 1.090 107.406 -109.99 0.0000
29 H2M H1 E 27 25 23 1.090 107.247 134.99 0.0000
30 OHG Oh S 27 25 23 1.456 118.581 12.68 -0.6530
31 HOG Ho E 30 27 25 0.961 109.618 127.32 0.3850
32 C4 Cg M 21 9 8 1.567 108.763 -56.16 0.3750
33 H4 H1 E 32 21 9 1.091 108.346 -69.62 0.0000
34 C3 Cg B 32 21 9 1.542 112.768 49.82 0.0400
35 H3A Hc E 34 32 21 1.094 108.648 73.23 0.0000
36 H3E Hc E 34 32 21 1.092 110.246 -171.81 0.0000
37 O4 Os M 32 21 9 1.459 111.264 172.12 -0.5580
LOOP
C3 C2
DONE
AsA INT 0
CORRECT OMIT DU BEG
-1.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C7 Cg 3 9 8 4 1.543 109.559 -161.44 0.1110
12 H7 H1 E 11 9 8 1.091 107.799 168.79 0.0000
13 O7 Os E 11 9 8 1.460 110.189 -74.65 -0.4800
14 C8 Cg 3 11 9 8 1.556 112.192 50.24 0.4920
15 H8 H1 E 14 11 9 1.091 109.991 -62.63 0.0000
16 O8 Os E 14 11 9 1.460 109.072 56.72 -0.5210
17 C9 Cg 3 14 11 9 1.552 112.385 175.84 0.1780
18 H9R H1 E 17 14 11 1.091 109.920 -62.24 0.0000
19 H9S H1 E 17 14 11 1.090 110.169 56.42 0.0000
20 O9 Os E 17 14 11 1.449 111.722 176.90 -0.4750
21 C5 Cg M 9 8 4 1.544 107.983 67.65 0.3080
22 H5 H1 E 21 9 8 1.092 108.575 62.14 0.0000
23 N5 Ng B 21 9 8 1.484 110.767 -178.16 -0.6290
24 H5N H E 23 21 9 1.007 117.476 80.00 0.2800
25 C5N C B 23 21 9 1.337 123.580 -93.52 0.6320
26 O5N O E 25 23 21 1.228 122.141 0.64 -0.5930
27 CME Cg 3 25 23 21 1.541 116.316 179.71 -0.0030
28 H1M Hc E 27 25 23 1.091 109.337 -90.47 0.0000
29 H2M Hc E 27 25 23 1.091 109.813 150.00 0.0000
30 H3M Hc E 27 25 23 1.092 110.905 29.98 0.0000
31 C4 Cg M 21 9 8 1.560 108.513 -55.53 0.3320
32 H4 H1 E 31 21 9 1.091 108.674 -70.08 0.0000
33 C3 Cg B 31 21 9 1.539 113.169 50.35 0.0060
34 H3A Hc E 33 31 21 1.094 108.947 71.64 0.0000
35 H3E Hc E 33 31 21 1.092 110.387 -172.94 0.0000
36 O4 Os M 31 21 9 1.451 110.232 171.69 -0.5410
LOOP
C3 C2
DONE
AsB INT 0
CORRECT OMIT DU BEG
-1.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 C5 Cg 3 11 8 4 1.555 110.759 -54.06 0.5230
14 H5 H1 E 13 11 8 1.092 108.107 -66.49 0.0000
15 C6 Cg 3 13 11 8 1.541 110.257 52.78 -0.0080
16 H6 H1 E 15 13 11 1.092 107.098 63.94 0.0000
17 C7 Cg 3 15 13 11 1.547 117.009 -177.41 0.2780
18 H7 H1 E 17 15 13 1.091 107.450 -69.59 0.0000
19 C8 Cg 3 17 15 13 1.556 114.439 170.69 0.3670
20 H8 H1 E 19 17 15 1.091 109.577 -68.20 0.0000
21 C9 Cg 3 19 17 15 1.547 112.389 170.25 0.2010
22 H9R H1 E 21 19 17 1.091 110.087 -60.19 0.0000
23 H9S H1 E 21 19 17 1.090 110.247 58.95 0.0000
24 O9 Os E 21 19 17 1.445 110.971 179.23 -0.4730
25 O8 Os E 19 17 15 1.460 109.033 50.18 -0.5060
26 O7 Os E 17 15 13 1.449 109.778 46.77 -0.4600
27 O6 Oy E 15 13 11 1.443 109.363 -52.05 -0.3440
28 N5 Ng B 13 11 8 1.475 109.895 173.79 -0.6690
29 H5N H E 28 13 11 1.005 117.089 -42.64 0.2610
30 C5N C B 28 13 11 1.332 123.259 141.20 0.6780
31 CME Cg 3 30 28 13 1.541 116.623 -176.07 -0.0050
32 H1M Hc E 31 30 28 1.091 109.699 -143.39 0.0000
33 H2M Hc E 31 30 28 1.091 109.294 97.18 0.0000
34 H3M Hc E 31 30 28 1.092 111.130 -23.27 0.0000
35 O5N O E 30 28 13 1.226 121.725 3.82 -0.6340
36 O4 Os M 11 8 4 1.460 108.780 -177.65 -0.5180
LOOP
O6 C2
DONE
BGL INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 O4 Oh S 11 8 4 1.459 108.592 172.16 -0.7990
14 H4O Ho E 13 11 8 0.960 109.015 167.74 0.4350
15 C5 Cg M 11 8 4 1.567 112.768 48.37 0.4560
16 H5 H1 E 15 11 8 1.092 108.297 68.08 0.0000
17 N5 Ng B 15 11 8 1.485 111.696 -171.77 -0.7570
18 H5N H E 17 15 11 1.009 118.343 39.83 0.3120
19 C5N C B 17 15 11 1.340 123.871 -145.50 0.6520
20 CME Cg 3 19 17 15 1.585 118.309 179.32 0.2780
21 H2M H1 E 20 19 17 1.090 107.247 -134.99 0.0000
22 H1M H1 E 20 19 17 1.090 107.406 109.99 0.0000
23 OHG Oh S 20 19 17 1.456 118.581 -12.68 -0.6530
24 HOG Ho E 23 20 19 0.961 109.618 -127.32 0.3850
25 O5N O E 19 17 15 1.229 120.643 -1.25 -0.6120
26 C6 Cg M 15 11 8 1.539 108.763 -49.82 0.0900
27 H6 H1 E 26 15 11 1.090 106.039 -60.75 0.0000
28 O6 Oy E 26 15 11 1.441 107.618 56.16 -0.3040
29 C7 Cg M 26 15 11 1.539 119.513 -178.30 0.2610
30 H7 H1 E 29 26 15 1.091 108.030 65.66 0.0000
31 C8 Cg 3 29 26 15 1.556 112.912 -174.86 0.2810
32 H8 H1 E 31 29 26 1.091 109.679 63.78 0.0000
33 C9 Cg 3 31 29 26 1.546 111.802 -175.39 0.2520
34 H9S H1 E 33 31 29 1.090 110.707 -58.01 0.0000
35 H9R H1 E 33 31 29 1.091 110.154 61.57 0.0000
36 O9 Os E 33 31 29 1.442 110.110 -178.23 -0.4580
37 O8 Os E 31 29 26 1.465 109.875 -55.42 -0.4540
38 O7 Os M 29 26 15 1.451 109.645 -51.18 -0.4980
LOOP
O6 C2
DONE
BSA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 O4 Oh S 11 8 4 1.451 108.218 172.28 -0.7620
14 H4O Ho E 13 11 8 0.959 109.266 178.83 0.4150
15 C5 Cg M 11 8 4 1.560 113.169 49.81 0.3080
16 H5 H1 E 15 11 8 1.092 108.441 67.41 0.0000
17 N5 Ng B 15 11 8 1.484 111.436 -172.57 -0.6290
18 H5N H E 17 15 11 1.007 117.476 40.91 0.2800
19 C5N C B 17 15 11 1.337 123.580 -145.57 0.6320
20 CME Cg 3 19 17 15 1.541 116.316 -179.71 -0.0030
21 H3M Hc E 20 19 17 1.092 110.905 -29.98 0.0000
22 H2M Hc E 20 19 17 1.091 109.813 -150.00 0.0000
23 H1M Hc E 20 19 17 1.091 109.337 90.47 0.0000
24 O5N O E 19 17 15 1.228 122.141 -0.64 -0.5930
25 C6 Cg M 15 11 8 1.544 108.513 -50.35 0.2200
26 H6 H1 E 25 15 11 1.090 106.016 -61.45 0.0000
27 O6 Oy E 25 15 11 1.441 107.983 55.53 -0.4030
28 C7 Cg M 25 15 11 1.543 118.917 -178.92 0.1110
29 H7 H1 E 28 25 15 1.091 107.799 66.42 0.0000
30 C8 Cg 3 28 25 15 1.556 112.192 -175.03 0.4920
31 H8 H1 E 30 28 25 1.091 109.991 62.63 0.0000
32 C9 Cg 3 30 28 25 1.552 112.385 -175.84 0.1780
33 H9S H1 E 32 30 28 1.090 110.169 -56.42 0.0000
34 H9R H1 E 32 30 28 1.091 109.920 62.24 0.0000
35 O9 Os E 32 30 28 1.449 111.722 -176.90 -0.4750
36 O8 Os E 30 28 25 1.460 109.072 -56.72 -0.5210
37 O7 Os M 28 25 15 1.460 110.189 -50.14 -0.4800
LOOP
O6 C2
DONE
BSB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C5 Cg 3 9 8 4 1.541 109.363 -58.37 0.5230
12 H5 H1 E 11 9 8 1.092 109.167 -66.57 0.0000
13 N5 Ng B 11 9 8 1.475 109.670 173.19 -0.6690
14 H5N H E 13 11 9 1.005 117.089 -78.72 0.2610
15 C5N C B 13 11 9 1.332 123.259 97.44 0.6780
16 O5N O E 15 13 11 1.226 121.725 -3.82 -0.6340
17 CME Cg 3 15 13 11 1.541 116.623 176.07 -0.0050
18 H3M Hc E 17 15 13 1.092 111.130 23.27 0.0000
19 H2M Hc E 17 15 13 1.091 109.294 -97.18 0.0000
20 H1M Hc E 17 15 13 1.091 109.699 143.39 0.0000
21 C4 Cg 3 11 9 8 1.555 110.257 52.05 0.2030
22 H4 H1 E 21 11 9 1.092 108.890 66.49 0.0000
23 O4 Oh S 21 11 9 1.460 112.068 -174.46 -0.7140
24 H4O Ho E 23 21 11 0.961 110.372 -59.82 0.3900
25 C3 Cg B 21 11 9 1.538 110.759 -52.78 0.1330
26 H3E Hc E 25 21 11 1.093 109.710 176.81 0.0000
27 H3A Hc E 25 21 11 1.093 108.781 -68.27 0.0000
28 C7 Cg M 9 8 4 1.547 109.625 172.11 0.2780
29 H7 H1 E 28 9 8 1.091 107.450 -165.18 0.0000
30 C8 Cg 3 28 9 8 1.556 114.439 -45.46 0.3670
31 H8 H1 E 30 28 9 1.091 109.577 68.20 0.0000
32 O8 Os E 30 28 9 1.460 109.033 -50.18 -0.5060
33 C9 Cg 3 30 28 9 1.547 112.389 -170.25 0.2010
34 H9S H1 E 33 30 28 1.090 110.247 -58.95 0.0000
35 H9R H1 E 33 30 28 1.091 110.087 60.19 0.0000
36 O9 Os E 33 30 28 1.445 110.971 -179.23 -0.4730
37 O7 Os M 28 9 8 1.449 109.778 78.46 -0.4600
LOOP
C3 C2
DONE
BgL INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C5 Cg 3 9 8 4 1.539 107.618 68.71 0.4560
12 H5 H1 E 11 9 8 1.092 108.644 61.52 0.0000
13 N5 Ng B 11 9 8 1.485 110.283 -178.97 -0.7570
14 H5N H E 13 11 9 1.009 118.343 81.24 0.3120
15 C5N C B 13 11 9 1.340 123.871 -93.43 0.6520
16 O5N O E 15 13 11 1.229 120.643 1.25 -0.6120
17 CME Cg 3 15 13 11 1.585 118.309 -179.32 0.2780
18 H1M H1 E 17 15 13 1.090 107.406 -109.99 0.0000
19 H2M H1 E 17 15 13 1.090 107.247 134.99 0.0000
20 OHG Oh S 17 15 13 1.456 118.581 12.68 -0.6530
21 HOG Ho E 20 17 15 0.961 109.618 127.32 0.3850
22 C4 Cg 3 11 9 8 1.567 108.763 -56.16 0.3750
23 H4 H1 E 22 11 9 1.091 108.346 -69.62 0.0000
24 O4 Oh S 22 11 9 1.459 111.264 172.12 -0.7990
25 H4O Ho E 24 22 11 0.960 109.015 67.58 0.4350
26 C3 Cg B 22 11 9 1.542 112.768 49.82 0.0400
27 H3A Hc E 26 22 11 1.094 108.648 73.23 0.0000
28 H3E Hc E 26 22 11 1.092 110.246 -171.81 0.0000
29 C7 Cg M 9 8 4 1.539 109.452 -159.96 0.2610
30 H7 H1 E 29 9 8 1.091 108.030 169.67 0.0000
31 C8 Cg 3 29 9 8 1.556 112.912 50.19 0.2810
32 H8 H1 E 31 29 9 1.091 109.679 -63.78 0.0000
33 O8 Os E 31 29 9 1.465 109.875 55.42 -0.4540
34 C9 Cg 3 31 29 9 1.546 111.802 175.39 0.2520
35 H9R H1 E 34 31 29 1.091 110.154 -61.57 0.0000
36 H9S H1 E 34 31 29 1.090 110.707 58.01 0.0000
37 O9 Os E 34 31 29 1.442 110.110 178.23 -0.4580
38 O7 Os M 29 9 8 1.451 109.645 -73.49 -0.4980
LOOP
C3 C2
DONE
BsA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C5 Cg 3 9 8 4 1.544 107.983 67.65 0.3080
12 H5 H1 E 11 9 8 1.092 108.575 62.14 0.0000
13 N5 Ng B 11 9 8 1.484 110.767 -178.16 -0.6290
14 H5N H E 13 11 9 1.007 117.476 80.00 0.2800
15 C5N C B 13 11 9 1.337 123.580 -93.52 0.6320
16 O5N O E 15 13 11 1.228 122.141 0.64 -0.5930
17 CME Cg 3 15 13 11 1.541 116.316 179.71 -0.0030
18 H1M Hc E 17 15 13 1.091 109.337 -90.47 0.0000
19 H2M Hc E 17 15 13 1.091 109.813 150.00 0.0000
20 H3M Hc E 17 15 13 1.092 110.905 29.98 0.0000
21 C4 Cg 3 11 9 8 1.560 108.513 -55.53 0.3320
22 H4 H1 E 21 11 9 1.091 108.674 -70.08 0.0000
23 O4 Oh S 21 11 9 1.451 110.232 171.69 -0.7620
24 H4O Ho E 23 21 11 0.959 109.266 56.92 0.4150
25 C3 Cg B 21 11 9 1.539 113.169 50.35 0.0060
26 H3A Hc E 25 21 11 1.094 108.947 71.64 0.0000
27 H3E Hc E 25 21 11 1.092 110.387 -172.94 0.0000
28 C7 Cg M 9 8 4 1.543 109.559 -161.44 0.1110
29 H7 H1 E 28 9 8 1.091 107.799 168.79 0.0000
30 C8 Cg 3 28 9 8 1.556 112.192 50.24 0.4920
31 H8 H1 E 30 28 9 1.091 109.991 -62.63 0.0000
32 O8 Os E 30 28 9 1.460 109.072 56.72 -0.5210
33 C9 Cg 3 30 28 9 1.552 112.385 175.84 0.1780
34 H9R H1 E 33 30 28 1.091 109.920 -62.24 0.0000
35 H9S H1 E 33 30 28 1.090 110.169 56.42 0.0000
36 O9 Os E 33 30 28 1.449 111.722 176.90 -0.4750
37 O7 Os M 28 9 8 1.460 110.189 -74.65 -0.4800
LOOP
C3 C2
DONE
BsB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 O4 Oh S 11 8 4 1.460 108.780 -177.65 -0.7140
14 H4O Ho E 13 11 8 0.961 110.372 -177.37 0.3900
15 C5 Cg M 11 8 4 1.555 110.759 -54.06 0.5230
16 H5 H1 E 15 11 8 1.092 108.107 -66.49 0.0000
17 N5 Ng B 15 11 8 1.475 109.895 173.79 -0.6690
18 H5N H E 17 15 11 1.005 117.089 -42.64 0.2610
19 C5N C B 17 15 11 1.332 123.259 141.20 0.6780
20 CME Cg 3 19 17 15 1.541 116.623 -176.07 -0.0050
21 H1M Hc E 20 19 17 1.091 109.699 -143.39 0.0000
22 H2M Hc E 20 19 17 1.091 109.294 97.18 0.0000
23 H3M Hc E 20 19 17 1.092 111.130 -23.27 0.0000
24 O5N O E 19 17 15 1.226 121.725 3.82 -0.6340
25 C6 Cg M 15 11 8 1.541 110.257 52.78 -0.0080
26 H6 H1 E 25 15 11 1.092 107.098 63.94 0.0000
27 O6 Oy E 25 15 11 1.443 109.363 -52.05 -0.3440
28 C7 Cg M 25 15 11 1.547 117.009 -177.41 0.2780
29 H7 H1 E 28 25 15 1.091 107.450 -69.59 0.0000
30 C8 Cg 3 28 25 15 1.556 114.439 170.69 0.3670
31 H8 H1 E 30 28 25 1.091 109.577 -68.20 0.0000
32 C9 Cg 3 30 28 25 1.547 112.389 170.25 0.2010
33 H9R H1 E 32 30 28 1.091 110.087 -60.19 0.0000
34 H9S H1 E 32 30 28 1.090 110.247 58.95 0.0000
35 O9 Os E 32 30 28 1.445 110.971 179.23 -0.4730
36 O8 Os E 30 28 25 1.460 109.033 50.18 -0.5060
37 O7 Os M 28 25 15 1.449 109.778 46.77 -0.4600
LOOP
O6 C2
DONE
Ca2+
CA2 INT 0
CORRECT OMIT DU BEG
2.0000
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 CA2 C0 M 3 2 1 9.377 124.134 -168.39 2.0000
DONE
CGL INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 C5 Cg 3 11 8 4 1.567 112.768 48.37 0.4560
14 H5 H1 E 13 11 8 1.092 108.297 68.08 0.0000
15 C6 Cg 3 13 11 8 1.539 108.763 -49.82 0.0900
16 H6 H1 E 15 13 11 1.090 106.039 -60.75 0.0000
17 C7 Cg 3 15 13 11 1.539 119.513 -178.30 0.2610
18 H7 H1 E 17 15 13 1.091 108.030 65.66 0.0000
19 C8 Cg 3 17 15 13 1.556 112.912 -174.86 0.2810
20 H8 H1 E 19 17 15 1.091 109.679 63.78 0.0000
21 C9 Cg 3 19 17 15 1.546 111.802 -175.39 0.2520
22 H9S H1 E 21 19 17 1.090 110.707 -58.01 0.0000
23 H9R H1 E 21 19 17 1.091 110.154 61.57 0.0000
24 O9 Os E 21 19 17 1.442 110.110 -178.23 -0.4580
25 O8 Os E 19 17 15 1.465 109.875 -55.42 -0.4540
26 O7 Oh S 17 15 13 1.451 109.645 -51.18 -0.7120
27 H7O Ho E 26 17 15 0.975 109.093 67.68 0.4080
28 O6 Oy E 15 13 11 1.441 107.618 56.16 -0.3040
29 N5 Ng B 13 11 8 1.485 111.696 -171.77 -0.7570
30 H5N H E 29 13 11 1.009 118.343 39.83 0.3120
31 C5N C B 29 13 11 1.340 123.871 -145.50 0.6520
32 CME Cg 3 31 29 13 1.585 118.309 179.32 0.2780
33 H2M H1 E 32 31 29 1.090 107.247 -134.99 0.0000
34 H1M H1 E 32 31 29 1.090 107.406 109.99 0.0000
35 OHG Oh S 32 31 29 1.456 118.581 -12.68 -0.6530
36 HOG Ho E 35 32 31 0.961 109.618 -127.32 0.3850
37 O5N O E 31 29 13 1.229 120.643 -1.25 -0.6120
38 O4 Os M 11 8 4 1.459 108.592 172.16 -0.5580
LOOP
O6 C2
DONE
CSA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 C5 Cg 3 11 8 4 1.560 113.169 49.81 0.3080
14 H5 H1 E 13 11 8 1.092 108.441 67.41 0.0000
15 C6 Cg 3 13 11 8 1.544 108.513 -50.35 0.2200
16 H6 H1 E 15 13 11 1.090 106.016 -61.45 0.0000
17 C7 Cg 3 15 13 11 1.543 118.917 -178.92 0.1110
18 H7 H1 E 17 15 13 1.091 107.799 66.42 0.0000
19 C8 Cg 3 17 15 13 1.556 112.192 -175.03 0.4920
20 H8 H1 E 19 17 15 1.091 109.991 62.63 0.0000
21 C9 Cg 3 19 17 15 1.552 112.385 -175.84 0.1780
22 H9S H1 E 21 19 17 1.090 110.169 -56.42 0.0000
23 H9R H1 E 21 19 17 1.091 109.920 62.24 0.0000
24 O9 Os E 21 19 17 1.449 111.722 -176.90 -0.4750
25 O8 Os E 19 17 15 1.460 109.072 -56.72 -0.5210
26 O7 Oh S 17 15 13 1.460 110.189 -50.14 -0.7210
27 H7O Ho E 26 17 15 0.977 109.950 68.18 0.4350
28 O6 Oy E 15 13 11 1.441 107.983 55.53 -0.4030
29 N5 Ng B 13 11 8 1.484 111.436 -172.57 -0.6290
30 H5N H E 29 13 11 1.007 117.476 40.91 0.2800
31 C5N C B 29 13 11 1.337 123.580 -145.57 0.6320
32 CME Cg 3 31 29 13 1.541 116.316 -179.71 -0.0030
33 H3M Hc E 32 31 29 1.092 110.905 -29.98 0.0000
34 H2M Hc E 32 31 29 1.091 109.813 -150.00 0.0000
35 H1M Hc E 32 31 29 1.091 109.337 90.47 0.0000
36 O5N O E 31 29 13 1.228 122.141 -0.64 -0.5930
37 O4 Os M 11 8 4 1.451 108.218 172.28 -0.5410
LOOP
O6 C2
DONE
CSB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C7 Cg 3 9 8 4 1.547 109.625 172.11 0.2780
12 H7 H1 E 11 9 8 1.091 107.450 -165.18 0.0000
13 O7 Oh S 11 9 8 1.449 109.778 78.46 -0.6560
14 H7O Ho E 13 11 9 0.974 109.644 69.17 0.3900
15 C8 Cg 3 11 9 8 1.556 114.439 -45.46 0.3670
16 H8 H1 E 15 11 9 1.091 109.577 68.20 0.0000
17 O8 Os E 15 11 9 1.460 109.033 -50.18 -0.5060
18 C9 Cg 3 15 11 9 1.547 112.389 -170.25 0.2010
19 H9S H1 E 18 15 11 1.090 110.247 -58.95 0.0000
20 H9R H1 E 18 15 11 1.091 110.087 60.19 0.0000
21 O9 Os E 18 15 11 1.445 110.971 -179.23 -0.4730
22 C5 Cg M 9 8 4 1.541 109.363 -58.37 0.5230
23 H5 H1 E 22 9 8 1.092 109.167 -66.57 0.0000
24 N5 Ng B 22 9 8 1.475 109.670 173.19 -0.6690
25 H5N H E 24 22 9 1.005 117.089 -78.72 0.2610
26 C5N C B 24 22 9 1.332 123.259 97.44 0.6780
27 O5N O E 26 24 22 1.226 121.725 -3.82 -0.6340
28 CME Cg 3 26 24 22 1.541 116.623 176.07 -0.0050
29 H3M Hc E 28 26 24 1.092 111.130 23.27 0.0000
30 H2M Hc E 28 26 24 1.091 109.294 -97.18 0.0000
31 H1M Hc E 28 26 24 1.091 109.699 143.39 0.0000
32 C4 Cg M 22 9 8 1.555 110.257 52.05 0.2030
33 H4 H1 E 32 22 9 1.092 108.890 66.49 0.0000
34 C3 Cg B 32 22 9 1.538 110.759 -52.78 0.1330
35 H3E Hc E 34 32 22 1.093 109.710 176.81 0.0000
36 H3A Hc E 34 32 22 1.093 108.781 -68.27 0.0000
37 O4 Os M 32 22 9 1.460 112.068 -174.46 -0.5180
LOOP
C3 C2
DONE
CgL INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C7 Cg 3 9 8 4 1.539 109.452 -159.96 0.2610
12 H7 H1 E 11 9 8 1.091 108.030 169.67 0.0000
13 O7 Oh S 11 9 8 1.451 109.645 -73.49 -0.7120
14 H7O Ho E 13 11 9 0.975 109.093 -67.68 0.4080
15 C8 Cg 3 11 9 8 1.556 112.912 50.19 0.2810
16 H8 H1 E 15 11 9 1.091 109.679 -63.78 0.0000
17 O8 Os E 15 11 9 1.465 109.875 55.42 -0.4540
18 C9 Cg 3 15 11 9 1.546 111.802 175.39 0.2520
19 H9R H1 E 18 15 11 1.091 110.154 -61.57 0.0000
20 H9S H1 E 18 15 11 1.090 110.707 58.01 0.0000
21 O9 Os E 18 15 11 1.442 110.110 178.23 -0.4580
22 C5 Cg M 9 8 4 1.539 107.618 68.71 0.4560
23 H5 H1 E 22 9 8 1.092 108.644 61.52 0.0000
24 N5 Ng B 22 9 8 1.485 110.283 -178.97 -0.7570
25 H5N H E 24 22 9 1.009 118.343 81.24 0.3120
26 C5N C B 24 22 9 1.340 123.871 -93.43 0.6520
27 O5N O E 26 24 22 1.229 120.643 1.25 -0.6120
28 CME Cg 3 26 24 22 1.585 118.309 -179.32 0.2780
29 H1M H1 E 28 26 24 1.090 107.406 -109.99 0.0000
30 H2M H1 E 28 26 24 1.090 107.247 134.99 0.0000
31 OHG Oh S 28 26 24 1.456 118.581 12.68 -0.6530
32 HOG Ho E 31 28 26 0.961 109.618 127.32 0.3850
33 C4 Cg M 22 9 8 1.567 108.763 -56.16 0.3750
34 H4 H1 E 33 22 9 1.091 108.346 -69.62 0.0000
35 C3 Cg B 33 22 9 1.542 112.768 49.82 0.0400
36 H3A Hc E 35 33 22 1.094 108.648 73.23 0.0000
37 H3E Hc E 35 33 22 1.092 110.246 -171.81 0.0000
38 O4 Os M 33 22 9 1.459 111.264 172.12 -0.5580
LOOP
C3 C2
DONE
CsA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C7 Cg 3 9 8 4 1.543 109.559 -161.44 0.1110
12 H7 H1 E 11 9 8 1.091 107.799 168.79 0.0000
13 O7 Oh S 11 9 8 1.460 110.189 -74.65 -0.7210
14 H7O Ho E 13 11 9 0.977 109.950 -68.18 0.4350
15 C8 Cg 3 11 9 8 1.556 112.192 50.24 0.4920
16 H8 H1 E 15 11 9 1.091 109.991 -62.63 0.0000
17 O8 Os E 15 11 9 1.460 109.072 56.72 -0.5210
18 C9 Cg 3 15 11 9 1.552 112.385 175.84 0.1780
19 H9R H1 E 18 15 11 1.091 109.920 -62.24 0.0000
20 H9S H1 E 18 15 11 1.090 110.169 56.42 0.0000
21 O9 Os E 18 15 11 1.449 111.722 176.90 -0.4750
22 C5 Cg M 9 8 4 1.544 107.983 67.65 0.3080
23 H5 H1 E 22 9 8 1.092 108.575 62.14 0.0000
24 N5 Ng B 22 9 8 1.484 110.767 -178.16 -0.6290
25 H5N H E 24 22 9 1.007 117.476 80.00 0.2800
26 C5N C B 24 22 9 1.337 123.580 -93.52 0.6320
27 O5N O E 26 24 22 1.228 122.141 0.64 -0.5930
28 CME Cg 3 26 24 22 1.541 116.316 179.71 -0.0030
29 H1M Hc E 28 26 24 1.091 109.337 -90.47 0.0000
30 H2M Hc E 28 26 24 1.091 109.813 150.00 0.0000
31 H3M Hc E 28 26 24 1.092 110.905 29.98 0.0000
32 C4 Cg M 22 9 8 1.560 108.513 -55.53 0.3320
33 H4 H1 E 32 22 9 1.091 108.674 -70.08 0.0000
34 C3 Cg B 32 22 9 1.539 113.169 50.35 0.0060
35 H3A Hc E 34 32 22 1.094 108.947 71.64 0.0000
36 H3E Hc E 34 32 22 1.092 110.387 -172.94 0.0000
37 O4 Os M 32 22 9 1.451 110.232 171.69 -0.5410
LOOP
C3 C2
DONE
CsB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 C5 Cg 3 11 8 4 1.555 110.759 -54.06 0.5230
14 H5 H1 E 13 11 8 1.092 108.107 -66.49 0.0000
15 C6 Cg 3 13 11 8 1.541 110.257 52.78 -0.0080
16 H6 H1 E 15 13 11 1.092 107.098 63.94 0.0000
17 C7 Cg 3 15 13 11 1.547 117.009 -177.41 0.2780
18 H7 H1 E 17 15 13 1.091 107.450 -69.59 0.0000
19 C8 Cg 3 17 15 13 1.556 114.439 170.69 0.3670
20 H8 H1 E 19 17 15 1.091 109.577 -68.20 0.0000
21 C9 Cg 3 19 17 15 1.547 112.389 170.25 0.2010
22 H9R H1 E 21 19 17 1.091 110.087 -60.19 0.0000
23 H9S H1 E 21 19 17 1.090 110.247 58.95 0.0000
24 O9 Os E 21 19 17 1.445 110.971 179.23 -0.4730
25 O8 Os E 19 17 15 1.460 109.033 50.18 -0.5060
26 O7 Oh S 17 15 13 1.449 109.778 46.77 -0.6560
27 H7O Ho E 26 17 15 0.974 109.644 -69.17 0.3900
28 O6 Oy E 15 13 11 1.443 109.363 -52.05 -0.3440
29 N5 Ng B 13 11 8 1.475 109.895 173.79 -0.6690
30 H5N H E 29 13 11 1.005 117.089 -42.64 0.2610
31 C5N C B 29 13 11 1.332 123.259 141.20 0.6780
32 CME Cg 3 31 29 13 1.541 116.623 -176.07 -0.0050
33 H1M Hc E 32 31 29 1.091 109.699 -143.39 0.0000
34 H2M Hc E 32 31 29 1.091 109.294 97.18 0.0000
35 H3M Hc E 32 31 29 1.092 111.130 -23.27 0.0000
36 O5N O E 31 29 13 1.226 121.725 3.82 -0.6340
37 O4 Os M 11 8 4 1.460 108.780 -177.65 -0.5180
LOOP
O6 C2
DONE
DGL INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 C5 Cg 3 11 8 4 1.567 112.768 48.37 0.4560
14 H5 H1 E 13 11 8 1.092 108.297 68.08 0.0000
15 C6 Cg 3 13 11 8 1.539 108.763 -49.82 0.0900
16 H6 H1 E 15 13 11 1.090 106.039 -60.75 0.0000
17 C7 Cg 3 15 13 11 1.539 119.513 -178.30 0.2610
18 H7 H1 E 17 15 13 1.091 108.030 65.66 0.0000
19 C8 Cg 3 17 15 13 1.556 112.912 -174.86 0.2810
20 H8 H1 E 19 17 15 1.091 109.679 63.78 0.0000
21 C9 Cg 3 19 17 15 1.546 111.802 -175.39 0.2520
22 H9S H1 E 21 19 17 1.090 110.707 -58.01 0.0000
23 H9R H1 E 21 19 17 1.091 110.154 61.57 0.0000
24 O9 Os E 21 19 17 1.442 110.110 -178.23 -0.4580
25 O8 Oh S 19 17 15 1.465 109.875 -55.42 -0.6830
26 H8O Ho E 25 19 17 0.989 111.171 71.70 0.4230
27 O7 Os E 17 15 13 1.451 109.645 -51.18 -0.4980
28 O6 Oy E 15 13 11 1.441 107.618 56.16 -0.3040
29 N5 Ng B 13 11 8 1.485 111.696 -171.77 -0.7570
30 H5N H E 29 13 11 1.009 118.343 39.83 0.3120
31 C5N C B 29 13 11 1.340 123.871 -145.50 0.6520
32 CME Cg 3 31 29 13 1.585 118.309 179.32 0.2780
33 H2M H1 E 32 31 29 1.090 107.247 -134.99 0.0000
34 H1M H1 E 32 31 29 1.090 107.406 109.99 0.0000
35 OHG Oh S 32 31 29 1.456 118.581 -12.68 -0.6530
36 HOG Ho E 35 32 31 0.961 109.618 -127.32 0.3850
37 O5N O E 31 29 13 1.229 120.643 -1.25 -0.6120
38 O4 Os M 11 8 4 1.459 108.592 172.16 -0.5580
LOOP
O6 C2
DONE
DSA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 C5 Cg 3 11 8 4 1.560 113.169 49.81 0.3080
14 H5 H1 E 13 11 8 1.092 108.441 67.41 0.0000
15 C6 Cg 3 13 11 8 1.544 108.513 -50.35 0.2200
16 H6 H1 E 15 13 11 1.090 106.016 -61.45 0.0000
17 C7 Cg 3 15 13 11 1.543 118.917 -178.92 0.1110
18 H7 H1 E 17 15 13 1.091 107.799 66.42 0.0000
19 C8 Cg 3 17 15 13 1.556 112.192 -175.03 0.4920
20 H8 H1 E 19 17 15 1.091 109.991 62.63 0.0000
21 C9 Cg 3 19 17 15 1.552 112.385 -175.84 0.1780
22 H9S H1 E 21 19 17 1.090 110.169 -56.42 0.0000
23 H9R H1 E 21 19 17 1.091 109.920 62.24 0.0000
24 O9 Os E 21 19 17 1.449 111.722 -176.90 -0.4750
25 O8 Oh S 19 17 15 1.460 109.072 -56.72 -0.7390
26 H8O Ho E 25 19 17 0.983 110.254 72.72 0.4120
27 O7 Os E 17 15 13 1.460 110.189 -50.14 -0.4800
28 O6 Oy E 15 13 11 1.441 107.983 55.53 -0.4030
29 N5 Ng B 13 11 8 1.484 111.436 -172.57 -0.6290
30 H5N H E 29 13 11 1.007 117.476 40.91 0.2800
31 C5N C B 29 13 11 1.337 123.580 -145.57 0.6320
32 CME Cg 3 31 29 13 1.541 116.316 -179.71 -0.0030
33 H3M Hc E 32 31 29 1.092 110.905 -29.98 0.0000
34 H2M Hc E 32 31 29 1.091 109.813 -150.00 0.0000
35 H1M Hc E 32 31 29 1.091 109.337 90.47 0.0000
36 O5N O E 31 29 13 1.228 122.141 -0.64 -0.5930
37 O4 Os M 11 8 4 1.451 108.218 172.28 -0.5410
LOOP
O6 C2
DONE
DSB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C7 Cg 3 9 8 4 1.547 109.625 172.11 0.2780
12 H7 H1 E 11 9 8 1.091 107.450 -165.18 0.0000
13 O7 Os E 11 9 8 1.449 109.778 78.46 -0.4600
14 C8 Cg 3 11 9 8 1.556 114.439 -45.46 0.3670
15 H8 H1 E 14 11 9 1.091 109.577 68.20 0.0000
16 O8 Oh S 14 11 9 1.460 109.033 -50.18 -0.7040
17 H8O Ho E 16 14 11 0.967 107.039 66.84 0.3920
18 C9 Cg 3 14 11 9 1.547 112.389 -170.25 0.2010
19 H9S H1 E 18 14 11 1.090 110.247 -58.95 0.0000
20 H9R H1 E 18 14 11 1.091 110.087 60.19 0.0000
21 O9 Os E 18 14 11 1.445 110.971 -179.23 -0.4730
22 C5 Cg M 9 8 4 1.541 109.363 -58.37 0.5230
23 H5 H1 E 22 9 8 1.092 109.167 -66.57 0.0000
24 N5 Ng B 22 9 8 1.475 109.670 173.19 -0.6690
25 H5N H E 24 22 9 1.005 117.089 -78.72 0.2610
26 C5N C B 24 22 9 1.332 123.259 97.44 0.6780
27 O5N O E 26 24 22 1.226 121.725 -3.82 -0.6340
28 CME Cg 3 26 24 22 1.541 116.623 176.07 -0.0050
29 H3M Hc E 28 26 24 1.092 111.130 23.27 0.0000
30 H2M Hc E 28 26 24 1.091 109.294 -97.18 0.0000
31 H1M Hc E 28 26 24 1.091 109.699 143.39 0.0000
32 C4 Cg M 22 9 8 1.555 110.257 52.05 0.2030
33 H4 H1 E 32 22 9 1.092 108.890 66.49 0.0000
34 C3 Cg B 32 22 9 1.538 110.759 -52.78 0.1330
35 H3E Hc E 34 32 22 1.093 109.710 176.81 0.0000
36 H3A Hc E 34 32 22 1.093 108.781 -68.27 0.0000
37 O4 Os M 32 22 9 1.460 112.068 -174.46 -0.5180
LOOP
C3 C2
DONE
DgL INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C7 Cg 3 9 8 4 1.539 109.452 -159.96 0.2610
12 H7 H1 E 11 9 8 1.091 108.030 169.67 0.0000
13 O7 Os E 11 9 8 1.451 109.645 -73.49 -0.4980
14 C8 Cg 3 11 9 8 1.556 112.912 50.19 0.2810
15 H8 H1 E 14 11 9 1.091 109.679 -63.78 0.0000
16 O8 Oh S 14 11 9 1.465 109.875 55.42 -0.6830
17 H8O Ho E 16 14 11 0.989 111.171 -71.70 0.4230
18 C9 Cg 3 14 11 9 1.546 111.802 175.39 0.2520
19 H9R H1 E 18 14 11 1.091 110.154 -61.57 0.0000
20 H9S H1 E 18 14 11 1.090 110.707 58.01 0.0000
21 O9 Os E 18 14 11 1.442 110.110 178.23 -0.4580
22 C5 Cg M 9 8 4 1.539 107.618 68.71 0.4560
23 H5 H1 E 22 9 8 1.092 108.644 61.52 0.0000
24 N5 Ng B 22 9 8 1.485 110.283 -178.97 -0.7570
25 H5N H E 24 22 9 1.009 118.343 81.24 0.3120
26 C5N C B 24 22 9 1.340 123.871 -93.43 0.6520
27 O5N O E 26 24 22 1.229 120.643 1.25 -0.6120
28 CME Cg 3 26 24 22 1.585 118.309 -179.32 0.2780
29 H1M H1 E 28 26 24 1.090 107.406 -109.99 0.0000
30 H2M H1 E 28 26 24 1.090 107.247 134.99 0.0000
31 OHG Oh S 28 26 24 1.456 118.581 12.68 -0.6530
32 HOG Ho E 31 28 26 0.961 109.618 127.32 0.3850
33 C4 Cg M 22 9 8 1.567 108.763 -56.16 0.3750
34 H4 H1 E 33 22 9 1.091 108.346 -69.62 0.0000
35 C3 Cg B 33 22 9 1.542 112.768 49.82 0.0400
36 H3A Hc E 35 33 22 1.094 108.648 73.23 0.0000
37 H3E Hc E 35 33 22 1.092 110.246 -171.81 0.0000
38 O4 Os M 33 22 9 1.459 111.264 172.12 -0.5580
LOOP
C3 C2
DONE
DsA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C7 Cg 3 9 8 4 1.543 109.559 -161.44 0.1110
12 H7 H1 E 11 9 8 1.091 107.799 168.79 0.0000
13 O7 Os E 11 9 8 1.460 110.189 -74.65 -0.4800
14 C8 Cg 3 11 9 8 1.556 112.192 50.24 0.4920
15 H8 H1 E 14 11 9 1.091 109.991 -62.63 0.0000
16 O8 Oh S 14 11 9 1.460 109.072 56.72 -0.7390
17 H8O Ho E 16 14 11 0.983 110.254 -72.72 0.4120
18 C9 Cg 3 14 11 9 1.552 112.385 175.84 0.1780
19 H9R H1 E 18 14 11 1.091 109.920 -62.24 0.0000
20 H9S H1 E 18 14 11 1.090 110.169 56.42 0.0000
21 O9 Os E 18 14 11 1.449 111.722 176.90 -0.4750
22 C5 Cg M 9 8 4 1.544 107.983 67.65 0.3080
23 H5 H1 E 22 9 8 1.092 108.575 62.14 0.0000
24 N5 Ng B 22 9 8 1.484 110.767 -178.16 -0.6290
25 H5N H E 24 22 9 1.007 117.476 80.00 0.2800
26 C5N C B 24 22 9 1.337 123.580 -93.52 0.6320
27 O5N O E 26 24 22 1.228 122.141 0.64 -0.5930
28 CME Cg 3 26 24 22 1.541 116.316 179.71 -0.0030
29 H1M Hc E 28 26 24 1.091 109.337 -90.47 0.0000
30 H2M Hc E 28 26 24 1.091 109.813 150.00 0.0000
31 H3M Hc E 28 26 24 1.092 110.905 29.98 0.0000
32 C4 Cg M 22 9 8 1.560 108.513 -55.53 0.3320
33 H4 H1 E 32 22 9 1.091 108.674 -70.08 0.0000
34 C3 Cg B 32 22 9 1.539 113.169 50.35 0.0060
35 H3A Hc E 34 32 22 1.094 108.947 71.64 0.0000
36 H3E Hc E 34 32 22 1.092 110.387 -172.94 0.0000
37 O4 Os M 32 22 9 1.451 110.232 171.69 -0.5410
LOOP
C3 C2
DONE
DsB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 C5 Cg 3 11 8 4 1.555 110.759 -54.06 0.5230
14 H5 H1 E 13 11 8 1.092 108.107 -66.49 0.0000
15 C6 Cg 3 13 11 8 1.541 110.257 52.78 -0.0080
16 H6 H1 E 15 13 11 1.092 107.098 63.94 0.0000
17 C7 Cg 3 15 13 11 1.547 117.009 -177.41 0.2780
18 H7 H1 E 17 15 13 1.091 107.450 -69.59 0.0000
19 C8 Cg 3 17 15 13 1.556 114.439 170.69 0.3670
20 H8 H1 E 19 17 15 1.091 109.577 -68.20 0.0000
21 C9 Cg 3 19 17 15 1.547 112.389 170.25 0.2010
22 H9R H1 E 21 19 17 1.091 110.087 -60.19 0.0000
23 H9S H1 E 21 19 17 1.090 110.247 58.95 0.0000
24 O9 Os E 21 19 17 1.445 110.971 179.23 -0.4730
25 O8 Oh S 19 17 15 1.460 109.033 50.18 -0.7040
26 H8O Ho E 25 19 17 0.967 107.039 -66.84 0.3920
27 O7 Os E 17 15 13 1.449 109.778 46.77 -0.4600
28 O6 Oy E 15 13 11 1.443 109.363 -52.05 -0.3440
29 N5 Ng B 13 11 8 1.475 109.895 173.79 -0.6690
30 H5N H E 29 13 11 1.005 117.089 -42.64 0.2610
31 C5N C B 29 13 11 1.332 123.259 141.20 0.6780
32 CME Cg 3 31 29 13 1.541 116.623 -176.07 -0.0050
33 H1M Hc E 32 31 29 1.091 109.699 -143.39 0.0000
34 H2M Hc E 32 31 29 1.091 109.294 97.18 0.0000
35 H3M Hc E 32 31 29 1.092 111.130 -23.27 0.0000
36 O5N O E 31 29 13 1.226 121.725 3.82 -0.6340
37 O4 Os M 11 8 4 1.460 108.780 -177.65 -0.5180
LOOP
O6 C2
DONE
EGL INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 C5 Cg 3 11 8 4 1.567 112.768 48.37 0.4560
14 H5 H1 E 13 11 8 1.092 108.297 68.08 0.0000
15 C6 Cg 3 13 11 8 1.539 108.763 -49.82 0.0900
16 H6 H1 E 15 13 11 1.090 106.039 -60.75 0.0000
17 C7 Cg 3 15 13 11 1.539 119.513 -178.30 0.2610
18 H7 H1 E 17 15 13 1.091 108.030 65.66 0.0000
19 C8 Cg 3 17 15 13 1.556 112.912 -174.86 0.2810
20 H8 H1 E 19 17 15 1.091 109.679 63.78 0.0000
21 C9 Cg 3 19 17 15 1.546 111.802 -175.39 0.2520
22 H9S H1 E 21 19 17 1.090 110.707 -58.01 0.0000
23 H9R H1 E 21 19 17 1.091 110.154 61.57 0.0000
24 O9 Oh S 21 19 17 1.442 110.110 -178.23 -0.6810
25 H9O Ho E 24 21 19 0.966 105.599 -41.84 0.4170
26 O8 Os E 19 17 15 1.465 109.875 -55.42 -0.4540
27 O7 Os E 17 15 13 1.451 109.645 -51.18 -0.4980
28 O6 Oy E 15 13 11 1.441 107.618 56.16 -0.3040
29 N5 Ng B 13 11 8 1.485 111.696 -171.77 -0.7570
30 H5N H E 29 13 11 1.009 118.343 39.83 0.3120
31 C5N C B 29 13 11 1.340 123.871 -145.50 0.6520
32 CME Cg 3 31 29 13 1.585 118.309 179.32 0.2780
33 H2M H1 E 32 31 29 1.090 107.247 -134.99 0.0000
34 H1M H1 E 32 31 29 1.090 107.406 109.99 0.0000
35 OHG Oh S 32 31 29 1.456 118.581 -12.68 -0.6530
36 HOG Ho E 35 32 31 0.961 109.618 -127.32 0.3850
37 O5N O E 31 29 13 1.229 120.643 -1.25 -0.6120
38 O4 Os M 11 8 4 1.459 108.592 172.16 -0.5580
LOOP
O6 C2
DONE
ESA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 C5 Cg 3 11 8 4 1.560 113.169 49.81 0.3080
14 H5 H1 E 13 11 8 1.092 108.441 67.41 0.0000
15 C6 Cg 3 13 11 8 1.544 108.513 -50.35 0.2200
16 H6 H1 E 15 13 11 1.090 106.016 -61.45 0.0000
17 C7 Cg 3 15 13 11 1.543 118.917 -178.92 0.1110
18 H7 H1 E 17 15 13 1.091 107.799 66.42 0.0000
19 C8 Cg 3 17 15 13 1.556 112.192 -175.03 0.4920
20 H8 H1 E 19 17 15 1.091 109.991 62.63 0.0000
21 C9 Cg 3 19 17 15 1.552 112.385 -175.84 0.1780
22 H9S H1 E 21 19 17 1.090 110.169 -56.42 0.0000
23 H9R H1 E 21 19 17 1.091 109.920 62.24 0.0000
24 O9 Oh S 21 19 17 1.449 111.722 -176.90 -0.6890
25 H9O Ho E 24 21 19 0.965 107.018 -49.30 0.4080
26 O8 Os E 19 17 15 1.460 109.072 -56.72 -0.5210
27 O7 Os E 17 15 13 1.460 110.189 -50.14 -0.4800
28 O6 Oy E 15 13 11 1.441 107.983 55.53 -0.4030
29 N5 Ng B 13 11 8 1.484 111.436 -172.57 -0.6290
30 H5N H E 29 13 11 1.007 117.476 40.91 0.2800
31 C5N C B 29 13 11 1.337 123.580 -145.57 0.6320
32 CME Cg 3 31 29 13 1.541 116.316 -179.71 -0.0030
33 H3M Hc E 32 31 29 1.092 110.905 -29.98 0.0000
34 H2M Hc E 32 31 29 1.091 109.813 -150.00 0.0000
35 H1M Hc E 32 31 29 1.091 109.337 90.47 0.0000
36 O5N O E 31 29 13 1.228 122.141 -0.64 -0.5930
37 O4 Os M 11 8 4 1.451 108.218 172.28 -0.5410
LOOP
O6 C2
DONE
ESB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C7 Cg 3 9 8 4 1.547 109.625 172.11 0.2780
12 H7 H1 E 11 9 8 1.091 107.450 -165.18 0.0000
13 O7 Os E 11 9 8 1.449 109.778 78.46 -0.4600
14 C8 Cg 3 11 9 8 1.556 114.439 -45.46 0.3670
15 H8 H1 E 14 11 9 1.091 109.577 68.20 0.0000
16 O8 Os E 14 11 9 1.460 109.033 -50.18 -0.5060
17 C9 Cg 3 14 11 9 1.547 112.389 -170.25 0.2010
18 H9S H1 E 17 14 11 1.090 110.247 -58.95 0.0000
19 H9R H1 E 17 14 11 1.091 110.087 60.19 0.0000
20 O9 Oh S 17 14 11 1.445 110.971 -179.23 -0.6720
21 H9O Ho E 20 17 14 0.965 106.904 -44.06 0.3930
22 C5 Cg M 9 8 4 1.541 109.363 -58.37 0.5230
23 H5 H1 E 22 9 8 1.092 109.167 -66.57 0.0000
24 N5 Ng B 22 9 8 1.475 109.670 173.19 -0.6690
25 H5N H E 24 22 9 1.005 117.089 -78.72 0.2610
26 C5N C B 24 22 9 1.332 123.259 97.44 0.6780
27 O5N O E 26 24 22 1.226 121.725 -3.82 -0.6340
28 CME Cg 3 26 24 22 1.541 116.623 176.07 -0.0050
29 H3M Hc E 28 26 24 1.092 111.130 23.27 0.0000
30 H2M Hc E 28 26 24 1.091 109.294 -97.18 0.0000
31 H1M Hc E 28 26 24 1.091 109.699 143.39 0.0000
32 C4 Cg M 22 9 8 1.555 110.257 52.05 0.2030
33 H4 H1 E 32 22 9 1.092 108.890 66.49 0.0000
34 C3 Cg B 32 22 9 1.538 110.759 -52.78 0.1330
35 H3E Hc E 34 32 22 1.093 109.710 176.81 0.0000
36 H3A Hc E 34 32 22 1.093 108.781 -68.27 0.0000
37 O4 Os M 32 22 9 1.460 112.068 -174.46 -0.5180
LOOP
C3 C2
DONE
EgL INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C7 Cg 3 9 8 4 1.539 109.452 -159.96 0.2610
12 H7 H1 E 11 9 8 1.091 108.030 169.67 0.0000
13 O7 Os E 11 9 8 1.451 109.645 -73.49 -0.4980
14 C8 Cg 3 11 9 8 1.556 112.912 50.19 0.2810
15 H8 H1 E 14 11 9 1.091 109.679 -63.78 0.0000
16 O8 Os E 14 11 9 1.465 109.875 55.42 -0.4540
17 C9 Cg 3 14 11 9 1.546 111.802 175.39 0.2520
18 H9R H1 E 17 14 11 1.091 110.154 -61.57 0.0000
19 H9S H1 E 17 14 11 1.090 110.707 58.01 0.0000
20 O9 Oh S 17 14 11 1.442 110.110 178.23 -0.6810
21 H9O Ho E 20 17 14 0.966 105.599 41.84 0.4170
22 C5 Cg M 9 8 4 1.539 107.618 68.71 0.4560
23 H5 H1 E 22 9 8 1.092 108.644 61.52 0.0000
24 N5 Ng B 22 9 8 1.485 110.283 -178.97 -0.7570
25 H5N H E 24 22 9 1.009 118.343 81.24 0.3120
26 C5N C B 24 22 9 1.340 123.871 -93.43 0.6520
27 O5N O E 26 24 22 1.229 120.643 1.25 -0.6120
28 CME Cg 3 26 24 22 1.585 118.309 -179.32 0.2780
29 H1M H1 E 28 26 24 1.090 107.406 -109.99 0.0000
30 H2M H1 E 28 26 24 1.090 107.247 134.99 0.0000
31 OHG Oh S 28 26 24 1.456 118.581 12.68 -0.6530
32 HOG Ho E 31 28 26 0.961 109.618 127.32 0.3850
33 C4 Cg M 22 9 8 1.567 108.763 -56.16 0.3750
34 H4 H1 E 33 22 9 1.091 108.346 -69.62 0.0000
35 C3 Cg B 33 22 9 1.542 112.768 49.82 0.0400
36 H3A Hc E 35 33 22 1.094 108.648 73.23 0.0000
37 H3E Hc E 35 33 22 1.092 110.246 -171.81 0.0000
38 O4 Os M 33 22 9 1.459 111.264 172.12 -0.5580
LOOP
C3 C2
DONE
EsA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C7 Cg 3 9 8 4 1.543 109.559 -161.44 0.1110
12 H7 H1 E 11 9 8 1.091 107.799 168.79 0.0000
13 O7 Os E 11 9 8 1.460 110.189 -74.65 -0.4800
14 C8 Cg 3 11 9 8 1.556 112.192 50.24 0.4920
15 H8 H1 E 14 11 9 1.091 109.991 -62.63 0.0000
16 O8 Os E 14 11 9 1.460 109.072 56.72 -0.5210
17 C9 Cg 3 14 11 9 1.552 112.385 175.84 0.1780
18 H9R H1 E 17 14 11 1.091 109.920 -62.24 0.0000
19 H9S H1 E 17 14 11 1.090 110.169 56.42 0.0000
20 O9 Oh S 17 14 11 1.449 111.722 176.90 -0.6890
21 H9O Ho E 20 17 14 0.965 107.018 49.30 0.4080
22 C5 Cg M 9 8 4 1.544 107.983 67.65 0.3080
23 H5 H1 E 22 9 8 1.092 108.575 62.14 0.0000
24 N5 Ng B 22 9 8 1.484 110.767 -178.16 -0.6290
25 H5N H E 24 22 9 1.007 117.476 80.00 0.2800
26 C5N C B 24 22 9 1.337 123.580 -93.52 0.6320
27 O5N O E 26 24 22 1.228 122.141 0.64 -0.5930
28 CME Cg 3 26 24 22 1.541 116.316 179.71 -0.0030
29 H1M Hc E 28 26 24 1.091 109.337 -90.47 0.0000
30 H2M Hc E 28 26 24 1.091 109.813 150.00 0.0000
31 H3M Hc E 28 26 24 1.092 110.905 29.98 0.0000
32 C4 Cg M 22 9 8 1.560 108.513 -55.53 0.3320
33 H4 H1 E 32 22 9 1.091 108.674 -70.08 0.0000
34 C3 Cg B 32 22 9 1.539 113.169 50.35 0.0060
35 H3A Hc E 34 32 22 1.094 108.947 71.64 0.0000
36 H3E Hc E 34 32 22 1.092 110.387 -172.94 0.0000
37 O4 Os M 32 22 9 1.451 110.232 171.69 -0.5410
LOOP
C3 C2
DONE
EsB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 C5 Cg 3 11 8 4 1.555 110.759 -54.06 0.5230
14 H5 H1 E 13 11 8 1.092 108.107 -66.49 0.0000
15 C6 Cg 3 13 11 8 1.541 110.257 52.78 -0.0080
16 H6 H1 E 15 13 11 1.092 107.098 63.94 0.0000
17 C7 Cg 3 15 13 11 1.547 117.009 -177.41 0.2780
18 H7 H1 E 17 15 13 1.091 107.450 -69.59 0.0000
19 C8 Cg 3 17 15 13 1.556 114.439 170.69 0.3670
20 H8 H1 E 19 17 15 1.091 109.577 -68.20 0.0000
21 C9 Cg 3 19 17 15 1.547 112.389 170.25 0.2010
22 H9R H1 E 21 19 17 1.091 110.087 -60.19 0.0000
23 H9S H1 E 21 19 17 1.090 110.247 58.95 0.0000
24 O9 Oh S 21 19 17 1.445 110.971 179.23 -0.6720
25 H9O Ho E 24 21 19 0.965 106.904 44.06 0.3930
26 O8 Os E 19 17 15 1.460 109.033 50.18 -0.5060
27 O7 Os E 17 15 13 1.449 109.778 46.77 -0.4600
28 O6 Oy E 15 13 11 1.443 109.363 -52.05 -0.3440
29 N5 Ng B 13 11 8 1.475 109.895 173.79 -0.6690
30 H5N H E 29 13 11 1.005 117.089 -42.64 0.2610
31 C5N C B 29 13 11 1.332 123.259 141.20 0.6780
32 CME Cg 3 31 29 13 1.541 116.623 -176.07 -0.0050
33 H1M Hc E 32 31 29 1.091 109.699 -143.39 0.0000
34 H2M Hc E 32 31 29 1.091 109.294 97.18 0.0000
35 H3M Hc E 32 31 29 1.092 111.130 -23.27 0.0000
36 O5N O E 31 29 13 1.226 121.725 3.82 -0.6340
37 O4 Os M 11 8 4 1.460 108.780 -177.65 -0.5180
LOOP
O6 C2
DONE
FGL INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 O4 Oh S 11 8 4 1.459 108.592 172.16 -0.7990
14 H4O Ho E 13 11 8 0.960 109.015 167.74 0.4350
15 C5 Cg M 11 8 4 1.567 112.768 48.37 0.4560
16 H5 H1 E 15 11 8 1.092 108.297 68.08 0.0000
17 N5 Ng B 15 11 8 1.485 111.696 -171.77 -0.7570
18 H5N H E 17 15 11 1.009 118.343 39.83 0.3120
19 C5N C B 17 15 11 1.340 123.871 -145.50 0.6520
20 CME Cg 3 19 17 15 1.585 118.309 179.32 0.2780
21 H2M H1 E 20 19 17 1.090 107.247 -134.99 0.0000
22 H1M H1 E 20 19 17 1.090 107.406 109.99 0.0000
23 OHG Oh S 20 19 17 1.456 118.581 -12.68 -0.6530
24 HOG Ho E 23 20 19 0.961 109.618 -127.32 0.3850
25 O5N O E 19 17 15 1.229 120.643 -1.25 -0.6120
26 C6 Cg M 15 11 8 1.539 108.763 -49.82 0.0900
27 H6 H1 E 26 15 11 1.090 106.039 -60.75 0.0000
28 O6 Oy E 26 15 11 1.441 107.618 56.16 -0.3040
29 C7 Cg M 26 15 11 1.539 119.513 -178.30 0.2610
30 H7 H1 E 29 26 15 1.091 108.030 65.66 0.0000
31 O7 Oh S 29 26 15 1.451 109.645 -51.18 -0.7120
32 H7O Ho E 31 29 26 0.975 109.093 67.68 0.4080
33 C8 Cg M 29 26 15 1.556 112.912 -174.86 0.2810
34 H8 H1 E 33 29 26 1.091 109.679 63.78 0.0000
35 C9 Cg 3 33 29 26 1.546 111.802 -175.39 0.2520
36 H9S H1 E 35 33 29 1.090 110.707 -58.01 0.0000
37 H9R H1 E 35 33 29 1.091 110.154 61.57 0.0000
38 O9 Os E 35 33 29 1.442 110.110 -178.23 -0.4580
39 O8 Os M 33 29 26 1.465 109.875 -55.42 -0.4540
LOOP
O6 C2
DONE
FSA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 O4 Oh S 11 8 4 1.451 108.218 172.28 -0.7620
14 H4O Ho E 13 11 8 0.959 109.266 178.83 0.4150
15 C5 Cg M 11 8 4 1.560 113.169 49.81 0.3080
16 H5 H1 E 15 11 8 1.092 108.441 67.41 0.0000
17 N5 Ng B 15 11 8 1.484 111.436 -172.57 -0.6290
18 H5N H E 17 15 11 1.007 117.476 40.91 0.2800
19 C5N C B 17 15 11 1.337 123.580 -145.57 0.6320
20 CME Cg 3 19 17 15 1.541 116.316 -179.71 -0.0030
21 H3M Hc E 20 19 17 1.092 110.905 -29.98 0.0000
22 H2M Hc E 20 19 17 1.091 109.813 -150.00 0.0000
23 H1M Hc E 20 19 17 1.091 109.337 90.47 0.0000
24 O5N O E 19 17 15 1.228 122.141 -0.64 -0.5930
25 C6 Cg M 15 11 8 1.544 108.513 -50.35 0.2200
26 H6 H1 E 25 15 11 1.090 106.016 -61.45 0.0000
27 O6 Oy E 25 15 11 1.441 107.983 55.53 -0.4030
28 C7 Cg M 25 15 11 1.543 118.917 -178.92 0.1110
29 H7 H1 E 28 25 15 1.091 107.799 66.42 0.0000
30 O7 Oh S 28 25 15 1.460 110.189 -50.14 -0.7210
31 H7O Ho E 30 28 25 0.977 109.950 68.18 0.4350
32 C8 Cg M 28 25 15 1.556 112.192 -175.03 0.4920
33 H8 H1 E 32 28 25 1.091 109.991 62.63 0.0000
34 C9 Cg 3 32 28 25 1.552 112.385 -175.84 0.1780
35 H9S H1 E 34 32 28 1.090 110.169 -56.42 0.0000
36 H9R H1 E 34 32 28 1.091 109.920 62.24 0.0000
37 O9 Os E 34 32 28 1.449 111.722 -176.90 -0.4750
38 O8 Os M 32 28 25 1.460 109.072 -56.72 -0.5210
LOOP
O6 C2
DONE
FSB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C5 Cg 3 9 8 4 1.541 109.363 -58.37 0.5230
12 H5 H1 E 11 9 8 1.092 109.167 -66.57 0.0000
13 N5 Ng B 11 9 8 1.475 109.670 173.19 -0.6690
14 H5N H E 13 11 9 1.005 117.089 -78.72 0.2610
15 C5N C B 13 11 9 1.332 123.259 97.44 0.6780
16 O5N O E 15 13 11 1.226 121.725 -3.82 -0.6340
17 CME Cg 3 15 13 11 1.541 116.623 176.07 -0.0050
18 H3M Hc E 17 15 13 1.092 111.130 23.27 0.0000
19 H2M Hc E 17 15 13 1.091 109.294 -97.18 0.0000
20 H1M Hc E 17 15 13 1.091 109.699 143.39 0.0000
21 C4 Cg 3 11 9 8 1.555 110.257 52.05 0.2030
22 H4 H1 E 21 11 9 1.092 108.890 66.49 0.0000
23 O4 Oh S 21 11 9 1.460 112.068 -174.46 -0.7140
24 H4O Ho E 23 21 11 0.961 110.372 -59.82 0.3900
25 C3 Cg B 21 11 9 1.538 110.759 -52.78 0.1330
26 H3E Hc E 25 21 11 1.093 109.710 176.81 0.0000
27 H3A Hc E 25 21 11 1.093 108.781 -68.27 0.0000
28 C7 Cg M 9 8 4 1.547 109.625 172.11 0.2780
29 H7 H1 E 28 9 8 1.091 107.450 -165.18 0.0000
30 O7 Oh S 28 9 8 1.449 109.778 78.46 -0.6560
31 H7O Ho E 30 28 9 0.974 109.644 69.17 0.3900
32 C8 Cg M 28 9 8 1.556 114.439 -45.46 0.3670
33 H8 H1 E 32 28 9 1.091 109.577 68.20 0.0000
34 C9 Cg 3 32 28 9 1.547 112.389 -170.25 0.2010
35 H9S H1 E 34 32 28 1.090 110.247 -58.95 0.0000
36 H9R H1 E 34 32 28 1.091 110.087 60.19 0.0000
37 O9 Os E 34 32 28 1.445 110.971 -179.23 -0.4730
38 O8 Os M 32 28 9 1.460 109.033 -50.18 -0.5060
LOOP
C3 C2
DONE
FgL INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C5 Cg 3 9 8 4 1.539 107.618 68.71 0.4560
12 H5 H1 E 11 9 8 1.092 108.644 61.52 0.0000
13 N5 Ng B 11 9 8 1.485 110.283 -178.97 -0.7570
14 H5N H E 13 11 9 1.009 118.343 81.24 0.3120
15 C5N C B 13 11 9 1.340 123.871 -93.43 0.6520
16 O5N O E 15 13 11 1.229 120.643 1.25 -0.6120
17 CME Cg 3 15 13 11 1.585 118.309 -179.32 0.2780
18 H1M H1 E 17 15 13 1.090 107.406 -109.99 0.0000
19 H2M H1 E 17 15 13 1.090 107.247 134.99 0.0000
20 OHG Oh S 17 15 13 1.456 118.581 12.68 -0.6530
21 HOG Ho E 20 17 15 0.961 109.618 127.32 0.3850
22 C4 Cg 3 11 9 8 1.567 108.763 -56.16 0.3750
23 H4 H1 E 22 11 9 1.091 108.346 -69.62 0.0000
24 O4 Oh S 22 11 9 1.459 111.264 172.12 -0.7990
25 H4O Ho E 24 22 11 0.960 109.015 67.58 0.4350
26 C3 Cg B 22 11 9 1.542 112.768 49.82 0.0400
27 H3A Hc E 26 22 11 1.094 108.648 73.23 0.0000
28 H3E Hc E 26 22 11 1.092 110.246 -171.81 0.0000
29 C7 Cg M 9 8 4 1.539 109.452 -159.96 0.2610
30 H7 H1 E 29 9 8 1.091 108.030 169.67 0.0000
31 O7 Oh S 29 9 8 1.451 109.645 -73.49 -0.7120
32 H7O Ho E 31 29 9 0.975 109.093 -67.68 0.4080
33 C8 Cg M 29 9 8 1.556 112.912 50.19 0.2810
34 H8 H1 E 33 29 9 1.091 109.679 -63.78 0.0000
35 C9 Cg 3 33 29 9 1.546 111.802 175.39 0.2520
36 H9R H1 E 35 33 29 1.091 110.154 -61.57 0.0000
37 H9S H1 E 35 33 29 1.090 110.707 58.01 0.0000
38 O9 Os E 35 33 29 1.442 110.110 178.23 -0.4580
39 O8 Os M 33 29 9 1.465 109.875 55.42 -0.4540
LOOP
C3 C2
DONE
FsA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C5 Cg 3 9 8 4 1.544 107.983 67.65 0.3080
12 H5 H1 E 11 9 8 1.092 108.575 62.14 0.0000
13 N5 Ng B 11 9 8 1.484 110.767 -178.16 -0.6290
14 H5N H E 13 11 9 1.007 117.476 80.00 0.2800
15 C5N C B 13 11 9 1.337 123.580 -93.52 0.6320
16 O5N O E 15 13 11 1.228 122.141 0.64 -0.5930
17 CME Cg 3 15 13 11 1.541 116.316 179.71 -0.0030
18 H1M Hc E 17 15 13 1.091 109.337 -90.47 0.0000
19 H2M Hc E 17 15 13 1.091 109.813 150.00 0.0000
20 H3M Hc E 17 15 13 1.092 110.905 29.98 0.0000
21 C4 Cg 3 11 9 8 1.560 108.513 -55.53 0.3320
22 H4 H1 E 21 11 9 1.091 108.674 -70.08 0.0000
23 O4 Oh S 21 11 9 1.451 110.232 171.69 -0.7620
24 H4O Ho E 23 21 11 0.959 109.266 56.92 0.4150
25 C3 Cg B 21 11 9 1.539 113.169 50.35 0.0060
26 H3A Hc E 25 21 11 1.094 108.947 71.64 0.0000
27 H3E Hc E 25 21 11 1.092 110.387 -172.94 0.0000
28 C7 Cg M 9 8 4 1.543 109.559 -161.44 0.1110
29 H7 H1 E 28 9 8 1.091 107.799 168.79 0.0000
30 O7 Oh S 28 9 8 1.460 110.189 -74.65 -0.7210
31 H7O Ho E 30 28 9 0.977 109.950 -68.18 0.4350
32 C8 Cg M 28 9 8 1.556 112.192 50.24 0.4920
33 H8 H1 E 32 28 9 1.091 109.991 -62.63 0.0000
34 C9 Cg 3 32 28 9 1.552 112.385 175.84 0.1780
35 H9R H1 E 34 32 28 1.091 109.920 -62.24 0.0000
36 H9S H1 E 34 32 28 1.090 110.169 56.42 0.0000
37 O9 Os E 34 32 28 1.449 111.722 176.90 -0.4750
38 O8 Os M 32 28 9 1.460 109.072 56.72 -0.5210
LOOP
C3 C2
DONE
FsB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 O4 Oh S 11 8 4 1.460 108.780 -177.65 -0.7140
14 H4O Ho E 13 11 8 0.961 110.372 -177.37 0.3900
15 C5 Cg M 11 8 4 1.555 110.759 -54.06 0.5230
16 H5 H1 E 15 11 8 1.092 108.107 -66.49 0.0000
17 N5 Ng B 15 11 8 1.475 109.895 173.79 -0.6690
18 H5N H E 17 15 11 1.005 117.089 -42.64 0.2610
19 C5N C B 17 15 11 1.332 123.259 141.20 0.6780
20 CME Cg 3 19 17 15 1.541 116.623 -176.07 -0.0050
21 H1M Hc E 20 19 17 1.091 109.699 -143.39 0.0000
22 H2M Hc E 20 19 17 1.091 109.294 97.18 0.0000
23 H3M Hc E 20 19 17 1.092 111.130 -23.27 0.0000
24 O5N O E 19 17 15 1.226 121.725 3.82 -0.6340
25 C6 Cg M 15 11 8 1.541 110.257 52.78 -0.0080
26 H6 H1 E 25 15 11 1.092 107.098 63.94 0.0000
27 O6 Oy E 25 15 11 1.443 109.363 -52.05 -0.3440
28 C7 Cg M 25 15 11 1.547 117.009 -177.41 0.2780
29 H7 H1 E 28 25 15 1.091 107.450 -69.59 0.0000
30 O7 Oh S 28 25 15 1.449 109.778 46.77 -0.6560
31 H7O Ho E 30 28 25 0.974 109.644 -69.17 0.3900
32 C8 Cg M 28 25 15 1.556 114.439 170.69 0.3670
33 H8 H1 E 32 28 25 1.091 109.577 -68.20 0.0000
34 C9 Cg 3 32 28 25 1.547 112.389 170.25 0.2010
35 H9R H1 E 34 32 28 1.091 110.087 -60.19 0.0000
36 H9S H1 E 34 32 28 1.090 110.247 58.95 0.0000
37 O9 Os E 34 32 28 1.445 110.971 179.23 -0.4730
38 O8 Os M 32 28 25 1.460 109.033 50.18 -0.5060
LOOP
O6 C2
DONE
GGL INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 O4 Oh S 11 8 4 1.459 108.592 172.16 -0.7990
14 H4O Ho E 13 11 8 0.960 109.015 167.74 0.4350
15 C5 Cg M 11 8 4 1.567 112.768 48.37 0.4560
16 H5 H1 E 15 11 8 1.092 108.297 68.08 0.0000
17 N5 Ng B 15 11 8 1.485 111.696 -171.77 -0.7570
18 H5N H E 17 15 11 1.009 118.343 39.83 0.3120
19 C5N C B 17 15 11 1.340 123.871 -145.50 0.6520
20 CME Cg 3 19 17 15 1.585 118.309 179.32 0.2780
21 H2M H1 E 20 19 17 1.090 107.247 -134.99 0.0000
22 H1M H1 E 20 19 17 1.090 107.406 109.99 0.0000
23 OHG Oh S 20 19 17 1.456 118.581 -12.68 -0.6530
24 HOG Ho E 23 20 19 0.961 109.618 -127.32 0.3850
25 O5N O E 19 17 15 1.229 120.643 -1.25 -0.6120
26 C6 Cg M 15 11 8 1.539 108.763 -49.82 0.0900
27 H6 H1 E 26 15 11 1.090 106.039 -60.75 0.0000
28 O6 Oy E 26 15 11 1.441 107.618 56.16 -0.3040
29 C7 Cg M 26 15 11 1.539 119.513 -178.30 0.2610
30 H7 H1 E 29 26 15 1.091 108.030 65.66 0.0000
31 C8 Cg 3 29 26 15 1.556 112.912 -174.86 0.2810
32 H8 H1 E 31 29 26 1.091 109.679 63.78 0.0000
33 C9 Cg 3 31 29 26 1.546 111.802 -175.39 0.2520
34 H9S H1 E 33 31 29 1.090 110.707 -58.01 0.0000
35 H9R H1 E 33 31 29 1.091 110.154 61.57 0.0000
36 O9 Os E 33 31 29 1.442 110.110 -178.23 -0.4580
37 O8 Oh S 31 29 26 1.465 109.875 -55.42 -0.6830
38 H8O Ho E 37 31 29 0.989 111.171 71.70 0.4230
39 O7 Os M 29 26 15 1.451 109.645 -51.18 -0.4980
LOOP
O6 C2
DONE
GSA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 O4 Oh S 11 8 4 1.451 108.218 172.28 -0.7620
14 H4O Ho E 13 11 8 0.959 109.266 178.83 0.4150
15 C5 Cg M 11 8 4 1.560 113.169 49.81 0.3080
16 H5 H1 E 15 11 8 1.092 108.441 67.41 0.0000
17 N5 Ng B 15 11 8 1.484 111.436 -172.57 -0.6290
18 H5N H E 17 15 11 1.007 117.476 40.91 0.2800
19 C5N C B 17 15 11 1.337 123.580 -145.57 0.6320
20 CME Cg 3 19 17 15 1.541 116.316 -179.71 -0.0030
21 H3M Hc E 20 19 17 1.092 110.905 -29.98 0.0000
22 H2M Hc E 20 19 17 1.091 109.813 -150.00 0.0000
23 H1M Hc E 20 19 17 1.091 109.337 90.47 0.0000
24 O5N O E 19 17 15 1.228 122.141 -0.64 -0.5930
25 C6 Cg M 15 11 8 1.544 108.513 -50.35 0.2200
26 H6 H1 E 25 15 11 1.090 106.016 -61.45 0.0000
27 O6 Oy E 25 15 11 1.441 107.983 55.53 -0.4030
28 C7 Cg M 25 15 11 1.543 118.917 -178.92 0.1110
29 H7 H1 E 28 25 15 1.091 107.799 66.42 0.0000
30 C8 Cg 3 28 25 15 1.556 112.192 -175.03 0.4920
31 H8 H1 E 30 28 25 1.091 109.991 62.63 0.0000
32 C9 Cg 3 30 28 25 1.552 112.385 -175.84 0.1780
33 H9S H1 E 32 30 28 1.090 110.169 -56.42 0.0000
34 H9R H1 E 32 30 28 1.091 109.920 62.24 0.0000
35 O9 Os E 32 30 28 1.449 111.722 -176.90 -0.4750
36 O8 Oh S 30 28 25 1.460 109.072 -56.72 -0.7390
37 H8O Ho E 36 30 28 0.983 110.254 72.72 0.4120
38 O7 Os M 28 25 15 1.460 110.189 -50.14 -0.4800
LOOP
O6 C2
DONE
GSB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C5 Cg 3 9 8 4 1.541 109.363 -58.37 0.5230
12 H5 H1 E 11 9 8 1.092 109.167 -66.57 0.0000
13 N5 Ng B 11 9 8 1.475 109.670 173.19 -0.6690
14 H5N H E 13 11 9 1.005 117.089 -78.72 0.2610
15 C5N C B 13 11 9 1.332 123.259 97.44 0.6780
16 O5N O E 15 13 11 1.226 121.725 -3.82 -0.6340
17 CME Cg 3 15 13 11 1.541 116.623 176.07 -0.0050
18 H3M Hc E 17 15 13 1.092 111.130 23.27 0.0000
19 H2M Hc E 17 15 13 1.091 109.294 -97.18 0.0000
20 H1M Hc E 17 15 13 1.091 109.699 143.39 0.0000
21 C4 Cg 3 11 9 8 1.555 110.257 52.05 0.2030
22 H4 H1 E 21 11 9 1.092 108.890 66.49 0.0000
23 O4 Oh S 21 11 9 1.460 112.068 -174.46 -0.7140
24 H4O Ho E 23 21 11 0.961 110.372 -59.82 0.3900
25 C3 Cg B 21 11 9 1.538 110.759 -52.78 0.1330
26 H3E Hc E 25 21 11 1.093 109.710 176.81 0.0000
27 H3A Hc E 25 21 11 1.093 108.781 -68.27 0.0000
28 C7 Cg M 9 8 4 1.547 109.625 172.11 0.2780
29 H7 H1 E 28 9 8 1.091 107.450 -165.18 0.0000
30 C8 Cg 3 28 9 8 1.556 114.439 -45.46 0.3670
31 H8 H1 E 30 28 9 1.091 109.577 68.20 0.0000
32 O8 Oh S 30 28 9 1.460 109.033 -50.18 -0.7040
33 H8O Ho E 32 30 28 0.967 107.039 66.84 0.3920
34 C9 Cg 3 30 28 9 1.547 112.389 -170.25 0.2010
35 H9S H1 E 34 30 28 1.090 110.247 -58.95 0.0000
36 H9R H1 E 34 30 28 1.091 110.087 60.19 0.0000
37 O9 Os E 34 30 28 1.445 110.971 -179.23 -0.4730
38 O7 Os M 28 9 8 1.449 109.778 78.46 -0.4600
LOOP
C3 C2
DONE
GgL INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C5 Cg 3 9 8 4 1.539 107.618 68.71 0.4560
12 H5 H1 E 11 9 8 1.092 108.644 61.52 0.0000
13 N5 Ng B 11 9 8 1.485 110.283 -178.97 -0.7570
14 H5N H E 13 11 9 1.009 118.343 81.24 0.3120
15 C5N C B 13 11 9 1.340 123.871 -93.43 0.6520
16 O5N O E 15 13 11 1.229 120.643 1.25 -0.6120
17 CME Cg 3 15 13 11 1.585 118.309 -179.32 0.2780
18 H1M H1 E 17 15 13 1.090 107.406 -109.99 0.0000
19 H2M H1 E 17 15 13 1.090 107.247 134.99 0.0000
20 OHG Oh S 17 15 13 1.456 118.581 12.68 -0.6530
21 HOG Ho E 20 17 15 0.961 109.618 127.32 0.3850
22 C4 Cg 3 11 9 8 1.567 108.763 -56.16 0.3750
23 H4 H1 E 22 11 9 1.091 108.346 -69.62 0.0000
24 O4 Oh S 22 11 9 1.459 111.264 172.12 -0.7990
25 H4O Ho E 24 22 11 0.960 109.015 67.58 0.4350
26 C3 Cg B 22 11 9 1.542 112.768 49.82 0.0400
27 H3A Hc E 26 22 11 1.094 108.648 73.23 0.0000
28 H3E Hc E 26 22 11 1.092 110.246 -171.81 0.0000
29 C7 Cg M 9 8 4 1.539 109.452 -159.96 0.2610
30 H7 H1 E 29 9 8 1.091 108.030 169.67 0.0000
31 C8 Cg 3 29 9 8 1.556 112.912 50.19 0.2810
32 H8 H1 E 31 29 9 1.091 109.679 -63.78 0.0000
33 O8 Oh S 31 29 9 1.465 109.875 55.42 -0.6830
34 H8O Ho E 33 31 29 0.989 111.171 -71.70 0.4230
35 C9 Cg 3 31 29 9 1.546 111.802 175.39 0.2520
36 H9R H1 E 35 31 29 1.091 110.154 -61.57 0.0000
37 H9S H1 E 35 31 29 1.090 110.707 58.01 0.0000
38 O9 Os E 35 31 29 1.442 110.110 178.23 -0.4580
39 O7 Os M 29 9 8 1.451 109.645 -73.49 -0.4980
LOOP
C3 C2
DONE
GsA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C5 Cg 3 9 8 4 1.544 107.983 67.65 0.3080
12 H5 H1 E 11 9 8 1.092 108.575 62.14 0.0000
13 N5 Ng B 11 9 8 1.484 110.767 -178.16 -0.6290
14 H5N H E 13 11 9 1.007 117.476 80.00 0.2800
15 C5N C B 13 11 9 1.337 123.580 -93.52 0.6320
16 O5N O E 15 13 11 1.228 122.141 0.64 -0.5930
17 CME Cg 3 15 13 11 1.541 116.316 179.71 -0.0030
18 H1M Hc E 17 15 13 1.091 109.337 -90.47 0.0000
19 H2M Hc E 17 15 13 1.091 109.813 150.00 0.0000
20 H3M Hc E 17 15 13 1.092 110.905 29.98 0.0000
21 C4 Cg 3 11 9 8 1.560 108.513 -55.53 0.3320
22 H4 H1 E 21 11 9 1.091 108.674 -70.08 0.0000
23 O4 Oh S 21 11 9 1.451 110.232 171.69 -0.7620
24 H4O Ho E 23 21 11 0.959 109.266 56.92 0.4150
25 C3 Cg B 21 11 9 1.539 113.169 50.35 0.0060
26 H3A Hc E 25 21 11 1.094 108.947 71.64 0.0000
27 H3E Hc E 25 21 11 1.092 110.387 -172.94 0.0000
28 C7 Cg M 9 8 4 1.543 109.559 -161.44 0.1110
29 H7 H1 E 28 9 8 1.091 107.799 168.79 0.0000
30 C8 Cg 3 28 9 8 1.556 112.192 50.24 0.4920
31 H8 H1 E 30 28 9 1.091 109.991 -62.63 0.0000
32 O8 Oh S 30 28 9 1.460 109.072 56.72 -0.7390
33 H8O Ho E 32 30 28 0.983 110.254 -72.72 0.4120
34 C9 Cg 3 30 28 9 1.552 112.385 175.84 0.1780
35 H9R H1 E 34 30 28 1.091 109.920 -62.24 0.0000
36 H9S H1 E 34 30 28 1.090 110.169 56.42 0.0000
37 O9 Os E 34 30 28 1.449 111.722 176.90 -0.4750
38 O7 Os M 28 9 8 1.460 110.189 -74.65 -0.4800
LOOP
C3 C2
DONE
GsB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 O4 Oh S 11 8 4 1.460 108.780 -177.65 -0.7140
14 H4O Ho E 13 11 8 0.961 110.372 -177.37 0.3900
15 C5 Cg M 11 8 4 1.555 110.759 -54.06 0.5230
16 H5 H1 E 15 11 8 1.092 108.107 -66.49 0.0000
17 N5 Ng B 15 11 8 1.475 109.895 173.79 -0.6690
18 H5N H E 17 15 11 1.005 117.089 -42.64 0.2610
19 C5N C B 17 15 11 1.332 123.259 141.20 0.6780
20 CME Cg 3 19 17 15 1.541 116.623 -176.07 -0.0050
21 H1M Hc E 20 19 17 1.091 109.699 -143.39 0.0000
22 H2M Hc E 20 19 17 1.091 109.294 97.18 0.0000
23 H3M Hc E 20 19 17 1.092 111.130 -23.27 0.0000
24 O5N O E 19 17 15 1.226 121.725 3.82 -0.6340
25 C6 Cg M 15 11 8 1.541 110.257 52.78 -0.0080
26 H6 H1 E 25 15 11 1.092 107.098 63.94 0.0000
27 O6 Oy E 25 15 11 1.443 109.363 -52.05 -0.3440
28 C7 Cg M 25 15 11 1.547 117.009 -177.41 0.2780
29 H7 H1 E 28 25 15 1.091 107.450 -69.59 0.0000
30 C8 Cg 3 28 25 15 1.556 114.439 170.69 0.3670
31 H8 H1 E 30 28 25 1.091 109.577 -68.20 0.0000
32 C9 Cg 3 30 28 25 1.547 112.389 170.25 0.2010
33 H9R H1 E 32 30 28 1.091 110.087 -60.19 0.0000
34 H9S H1 E 32 30 28 1.090 110.247 58.95 0.0000
35 O9 Os E 32 30 28 1.445 110.971 179.23 -0.4730
36 O8 Oh S 30 28 25 1.460 109.033 50.18 -0.7040
37 H8O Ho E 36 30 28 0.967 107.039 -66.84 0.3920
38 O7 Os M 28 25 15 1.449 109.778 46.77 -0.4600
LOOP
O6 C2
DONE
HGL INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 O4 Oh S 11 8 4 1.459 108.592 172.16 -0.7990
14 H4O Ho E 13 11 8 0.960 109.015 167.74 0.4350
15 C5 Cg M 11 8 4 1.567 112.768 48.37 0.4560
16 H5 H1 E 15 11 8 1.092 108.297 68.08 0.0000
17 N5 Ng B 15 11 8 1.485 111.696 -171.77 -0.7570
18 H5N H E 17 15 11 1.009 118.343 39.83 0.3120
19 C5N C B 17 15 11 1.340 123.871 -145.50 0.6520
20 CME Cg 3 19 17 15 1.585 118.309 179.32 0.2780
21 H2M H1 E 20 19 17 1.090 107.247 -134.99 0.0000
22 H1M H1 E 20 19 17 1.090 107.406 109.99 0.0000
23 OHG Oh S 20 19 17 1.456 118.581 -12.68 -0.6530
24 HOG Ho E 23 20 19 0.961 109.618 -127.32 0.3850
25 O5N O E 19 17 15 1.229 120.643 -1.25 -0.6120
26 C6 Cg M 15 11 8 1.539 108.763 -49.82 0.0900
27 H6 H1 E 26 15 11 1.090 106.039 -60.75 0.0000
28 O6 Oy E 26 15 11 1.441 107.618 56.16 -0.3040
29 C7 Cg M 26 15 11 1.539 119.513 -178.30 0.2610
30 H7 H1 E 29 26 15 1.091 108.030 65.66 0.0000
31 C8 Cg 3 29 26 15 1.556 112.912 -174.86 0.2810
32 H8 H1 E 31 29 26 1.091 109.679 63.78 0.0000
33 C9 Cg 3 31 29 26 1.546 111.802 -175.39 0.2520
34 H9S H1 E 33 31 29 1.090 110.707 -58.01 0.0000
35 H9R H1 E 33 31 29 1.091 110.154 61.57 0.0000
36 O9 Oh S 33 31 29 1.442 110.110 -178.23 -0.6810
37 H9O Ho E 36 33 31 0.966 105.599 -41.84 0.4170
38 O8 Os E 31 29 26 1.465 109.875 -55.42 -0.4540
39 O7 Os M 29 26 15 1.451 109.645 -51.18 -0.4980
LOOP
O6 C2
DONE
HSA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 O4 Oh S 11 8 4 1.451 108.218 172.28 -0.7620
14 H4O Ho E 13 11 8 0.959 109.266 178.83 0.4150
15 C5 Cg M 11 8 4 1.560 113.169 49.81 0.3080
16 H5 H1 E 15 11 8 1.092 108.441 67.41 0.0000
17 N5 Ng B 15 11 8 1.484 111.436 -172.57 -0.6290
18 H5N H E 17 15 11 1.007 117.476 40.91 0.2800
19 C5N C B 17 15 11 1.337 123.580 -145.57 0.6320
20 CME Cg 3 19 17 15 1.541 116.316 -179.71 -0.0030
21 H3M Hc E 20 19 17 1.092 110.905 -29.98 0.0000
22 H2M Hc E 20 19 17 1.091 109.813 -150.00 0.0000
23 H1M Hc E 20 19 17 1.091 109.337 90.47 0.0000
24 O5N O E 19 17 15 1.228 122.141 -0.64 -0.5930
25 C6 Cg M 15 11 8 1.544 108.513 -50.35 0.2200
26 H6 H1 E 25 15 11 1.090 106.016 -61.45 0.0000
27 O6 Oy E 25 15 11 1.441 107.983 55.53 -0.4030
28 C7 Cg M 25 15 11 1.543 118.917 -178.92 0.1110
29 H7 H1 E 28 25 15 1.091 107.799 66.42 0.0000
30 C8 Cg 3 28 25 15 1.556 112.192 -175.03 0.4920
31 H8 H1 E 30 28 25 1.091 109.991 62.63 0.0000
32 C9 Cg 3 30 28 25 1.552 112.385 -175.84 0.1780
33 H9S H1 E 32 30 28 1.090 110.169 -56.42 0.0000
34 H9R H1 E 32 30 28 1.091 109.920 62.24 0.0000
35 O9 Oh S 32 30 28 1.449 111.722 -176.90 -0.6890
36 H9O Ho E 35 32 30 0.965 107.018 -49.30 0.4080
37 O8 Os E 30 28 25 1.460 109.072 -56.72 -0.5210
38 O7 Os M 28 25 15 1.460 110.189 -50.14 -0.4800
LOOP
O6 C2
DONE
HSB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C5 Cg 3 9 8 4 1.541 109.363 -58.37 0.5230
12 H5 H1 E 11 9 8 1.092 109.167 -66.57 0.0000
13 N5 Ng B 11 9 8 1.475 109.670 173.19 -0.6690
14 H5N H E 13 11 9 1.005 117.089 -78.72 0.2610
15 C5N C B 13 11 9 1.332 123.259 97.44 0.6780
16 O5N O E 15 13 11 1.226 121.725 -3.82 -0.6340
17 CME Cg 3 15 13 11 1.541 116.623 176.07 -0.0050
18 H3M Hc E 17 15 13 1.092 111.130 23.27 0.0000
19 H2M Hc E 17 15 13 1.091 109.294 -97.18 0.0000
20 H1M Hc E 17 15 13 1.091 109.699 143.39 0.0000
21 C4 Cg 3 11 9 8 1.555 110.257 52.05 0.2030
22 H4 H1 E 21 11 9 1.092 108.890 66.49 0.0000
23 O4 Oh S 21 11 9 1.460 112.068 -174.46 -0.7140
24 H4O Ho E 23 21 11 0.961 110.372 -59.82 0.3900
25 C3 Cg B 21 11 9 1.538 110.759 -52.78 0.1330
26 H3E Hc E 25 21 11 1.093 109.710 176.81 0.0000
27 H3A Hc E 25 21 11 1.093 108.781 -68.27 0.0000
28 C7 Cg M 9 8 4 1.547 109.625 172.11 0.2780
29 H7 H1 E 28 9 8 1.091 107.450 -165.18 0.0000
30 C8 Cg 3 28 9 8 1.556 114.439 -45.46 0.3670
31 H8 H1 E 30 28 9 1.091 109.577 68.20 0.0000
32 O8 Os E 30 28 9 1.460 109.033 -50.18 -0.5060
33 C9 Cg 3 30 28 9 1.547 112.389 -170.25 0.2010
34 H9S H1 E 33 30 28 1.090 110.247 -58.95 0.0000
35 H9R H1 E 33 30 28 1.091 110.087 60.19 0.0000
36 O9 Oh S 33 30 28 1.445 110.971 -179.23 -0.6720
37 H9O Ho E 36 33 30 0.965 106.904 -44.06 0.3930
38 O7 Os M 28 9 8 1.449 109.778 78.46 -0.4600
LOOP
C3 C2
DONE
HgL INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C5 Cg 3 9 8 4 1.539 107.618 68.71 0.4560
12 H5 H1 E 11 9 8 1.092 108.644 61.52 0.0000
13 N5 Ng B 11 9 8 1.485 110.283 -178.97 -0.7570
14 H5N H E 13 11 9 1.009 118.343 81.24 0.3120
15 C5N C B 13 11 9 1.340 123.871 -93.43 0.6520
16 O5N O E 15 13 11 1.229 120.643 1.25 -0.6120
17 CME Cg 3 15 13 11 1.585 118.309 -179.32 0.2780
18 H1M H1 E 17 15 13 1.090 107.406 -109.99 0.0000
19 H2M H1 E 17 15 13 1.090 107.247 134.99 0.0000
20 OHG Oh S 17 15 13 1.456 118.581 12.68 -0.6530
21 HOG Ho E 20 17 15 0.961 109.618 127.32 0.3850
22 C4 Cg 3 11 9 8 1.567 108.763 -56.16 0.3750
23 H4 H1 E 22 11 9 1.091 108.346 -69.62 0.0000
24 O4 Oh S 22 11 9 1.459 111.264 172.12 -0.7990
25 H4O Ho E 24 22 11 0.960 109.015 67.58 0.4350
26 C3 Cg B 22 11 9 1.542 112.768 49.82 0.0400
27 H3A Hc E 26 22 11 1.094 108.648 73.23 0.0000
28 H3E Hc E 26 22 11 1.092 110.246 -171.81 0.0000
29 C7 Cg M 9 8 4 1.539 109.452 -159.96 0.2610
30 H7 H1 E 29 9 8 1.091 108.030 169.67 0.0000
31 C8 Cg 3 29 9 8 1.556 112.912 50.19 0.2810
32 H8 H1 E 31 29 9 1.091 109.679 -63.78 0.0000
33 O8 Os E 31 29 9 1.465 109.875 55.42 -0.4540
34 C9 Cg 3 31 29 9 1.546 111.802 175.39 0.2520
35 H9R H1 E 34 31 29 1.091 110.154 -61.57 0.0000
36 H9S H1 E 34 31 29 1.090 110.707 58.01 0.0000
37 O9 Oh S 34 31 29 1.442 110.110 178.23 -0.6810
38 H9O Ho E 37 34 31 0.966 105.599 41.84 0.4170
39 O7 Os M 29 9 8 1.451 109.645 -73.49 -0.4980
LOOP
C3 C2
DONE
HsA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C5 Cg 3 9 8 4 1.544 107.983 67.65 0.3080
12 H5 H1 E 11 9 8 1.092 108.575 62.14 0.0000
13 N5 Ng B 11 9 8 1.484 110.767 -178.16 -0.6290
14 H5N H E 13 11 9 1.007 117.476 80.00 0.2800
15 C5N C B 13 11 9 1.337 123.580 -93.52 0.6320
16 O5N O E 15 13 11 1.228 122.141 0.64 -0.5930
17 CME Cg 3 15 13 11 1.541 116.316 179.71 -0.0030
18 H1M Hc E 17 15 13 1.091 109.337 -90.47 0.0000
19 H2M Hc E 17 15 13 1.091 109.813 150.00 0.0000
20 H3M Hc E 17 15 13 1.092 110.905 29.98 0.0000
21 C4 Cg 3 11 9 8 1.560 108.513 -55.53 0.3320
22 H4 H1 E 21 11 9 1.091 108.674 -70.08 0.0000
23 O4 Oh S 21 11 9 1.451 110.232 171.69 -0.7620
24 H4O Ho E 23 21 11 0.959 109.266 56.92 0.4150
25 C3 Cg B 21 11 9 1.539 113.169 50.35 0.0060
26 H3A Hc E 25 21 11 1.094 108.947 71.64 0.0000
27 H3E Hc E 25 21 11 1.092 110.387 -172.94 0.0000
28 C7 Cg M 9 8 4 1.543 109.559 -161.44 0.1110
29 H7 H1 E 28 9 8 1.091 107.799 168.79 0.0000
30 C8 Cg 3 28 9 8 1.556 112.192 50.24 0.4920
31 H8 H1 E 30 28 9 1.091 109.991 -62.63 0.0000
32 O8 Os E 30 28 9 1.460 109.072 56.72 -0.5210
33 C9 Cg 3 30 28 9 1.552 112.385 175.84 0.1780
34 H9R H1 E 33 30 28 1.091 109.920 -62.24 0.0000
35 H9S H1 E 33 30 28 1.090 110.169 56.42 0.0000
36 O9 Oh S 33 30 28 1.449 111.722 176.90 -0.6890
37 H9O Ho E 36 33 30 0.965 107.018 49.30 0.4080
38 O7 Os M 28 9 8 1.460 110.189 -74.65 -0.4800
LOOP
C3 C2
DONE
HsB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 O4 Oh S 11 8 4 1.460 108.780 -177.65 -0.7140
14 H4O Ho E 13 11 8 0.961 110.372 -177.37 0.3900
15 C5 Cg M 11 8 4 1.555 110.759 -54.06 0.5230
16 H5 H1 E 15 11 8 1.092 108.107 -66.49 0.0000
17 N5 Ng B 15 11 8 1.475 109.895 173.79 -0.6690
18 H5N H E 17 15 11 1.005 117.089 -42.64 0.2610
19 C5N C B 17 15 11 1.332 123.259 141.20 0.6780
20 CME Cg 3 19 17 15 1.541 116.623 -176.07 -0.0050
21 H1M Hc E 20 19 17 1.091 109.699 -143.39 0.0000
22 H2M Hc E 20 19 17 1.091 109.294 97.18 0.0000
23 H3M Hc E 20 19 17 1.092 111.130 -23.27 0.0000
24 O5N O E 19 17 15 1.226 121.725 3.82 -0.6340
25 C6 Cg M 15 11 8 1.541 110.257 52.78 -0.0080
26 H6 H1 E 25 15 11 1.092 107.098 63.94 0.0000
27 O6 Oy E 25 15 11 1.443 109.363 -52.05 -0.3440
28 C7 Cg M 25 15 11 1.547 117.009 -177.41 0.2780
29 H7 H1 E 28 25 15 1.091 107.450 -69.59 0.0000
30 C8 Cg 3 28 25 15 1.556 114.439 170.69 0.3670
31 H8 H1 E 30 28 25 1.091 109.577 -68.20 0.0000
32 C9 Cg 3 30 28 25 1.547 112.389 170.25 0.2010
33 H9R H1 E 32 30 28 1.091 110.087 -60.19 0.0000
34 H9S H1 E 32 30 28 1.090 110.247 58.95 0.0000
35 O9 Oh S 32 30 28 1.445 110.971 179.23 -0.6720
36 H9O Ho E 35 32 30 0.965 106.904 44.06 0.3930
37 O8 Os E 30 28 25 1.460 109.033 50.18 -0.5060
38 O7 Os M 28 25 15 1.449 109.778 46.77 -0.4600
LOOP
O6 C2
DONE
IGL INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 C5 Cg 3 11 8 4 1.567 112.768 48.37 0.4560
14 H5 H1 E 13 11 8 1.092 108.297 68.08 0.0000
15 C6 Cg 3 13 11 8 1.539 108.763 -49.82 0.0900
16 H6 H1 E 15 13 11 1.090 106.039 -60.75 0.0000
17 C7 Cg 3 15 13 11 1.539 119.513 -178.30 0.2610
18 H7 H1 E 17 15 13 1.091 108.030 65.66 0.0000
19 C8 Cg 3 17 15 13 1.556 112.912 -174.86 0.2810
20 H8 H1 E 19 17 15 1.091 109.679 63.78 0.0000
21 C9 Cg 3 19 17 15 1.546 111.802 -175.39 0.2520
22 H9S H1 E 21 19 17 1.090 110.707 -58.01 0.0000
23 H9R H1 E 21 19 17 1.091 110.154 61.57 0.0000
24 O9 Os E 21 19 17 1.442 110.110 -178.23 -0.4580
25 O8 Oh S 19 17 15 1.465 109.875 -55.42 -0.6830
26 H8O Ho E 25 19 17 0.989 111.171 71.70 0.4230
27 O7 Oh S 17 15 13 1.451 109.645 -51.18 -0.7120
28 H7O Ho E 27 17 15 0.975 109.093 67.68 0.4080
29 O6 Oy E 15 13 11 1.441 107.618 56.16 -0.3040
30 N5 Ng B 13 11 8 1.485 111.696 -171.77 -0.7570
31 H5N H E 30 13 11 1.009 118.343 39.83 0.3120
32 C5N C B 30 13 11 1.340 123.871 -145.50 0.6520
33 CME Cg 3 32 30 13 1.585 118.309 179.32 0.2780
34 H2M H1 E 33 32 30 1.090 107.247 -134.99 0.0000
35 H1M H1 E 33 32 30 1.090 107.406 109.99 0.0000
36 OHG Oh S 33 32 30 1.456 118.581 -12.68 -0.6530
37 HOG Ho E 36 33 32 0.961 109.618 -127.32 0.3850
38 O5N O E 32 30 13 1.229 120.643 -1.25 -0.6120
39 O4 Os M 11 8 4 1.459 108.592 172.16 -0.5580
LOOP
O6 C2
DONE
ISA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 C5 Cg 3 11 8 4 1.560 113.169 49.81 0.3080
14 H5 H1 E 13 11 8 1.092 108.441 67.41 0.0000
15 C6 Cg 3 13 11 8 1.544 108.513 -50.35 0.2200
16 H6 H1 E 15 13 11 1.090 106.016 -61.45 0.0000
17 C7 Cg 3 15 13 11 1.543 118.917 -178.92 0.1110
18 H7 H1 E 17 15 13 1.091 107.799 66.42 0.0000
19 C8 Cg 3 17 15 13 1.556 112.192 -175.03 0.4920
20 H8 H1 E 19 17 15 1.091 109.991 62.63 0.0000
21 C9 Cg 3 19 17 15 1.552 112.385 -175.84 0.1780
22 H9S H1 E 21 19 17 1.090 110.169 -56.42 0.0000
23 H9R H1 E 21 19 17 1.091 109.920 62.24 0.0000
24 O9 Os E 21 19 17 1.449 111.722 -176.90 -0.4750
25 O8 Oh S 19 17 15 1.460 109.072 -56.72 -0.7390
26 H8O Ho E 25 19 17 0.983 110.254 72.72 0.4120
27 O7 Oh S 17 15 13 1.460 110.189 -50.14 -0.7210
28 H7O Ho E 27 17 15 0.977 109.950 68.18 0.4350
29 O6 Oy E 15 13 11 1.441 107.983 55.53 -0.4030
30 N5 Ng B 13 11 8 1.484 111.436 -172.57 -0.6290
31 H5N H E 30 13 11 1.007 117.476 40.91 0.2800
32 C5N C B 30 13 11 1.337 123.580 -145.57 0.6320
33 CME Cg 3 32 30 13 1.541 116.316 -179.71 -0.0030
34 H3M Hc E 33 32 30 1.092 110.905 -29.98 0.0000
35 H2M Hc E 33 32 30 1.091 109.813 -150.00 0.0000
36 H1M Hc E 33 32 30 1.091 109.337 90.47 0.0000
37 O5N O E 32 30 13 1.228 122.141 -0.64 -0.5930
38 O4 Os M 11 8 4 1.451 108.218 172.28 -0.5410
LOOP
O6 C2
DONE
ISB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C7 Cg 3 9 8 4 1.547 109.625 172.11 0.2780
12 H7 H1 E 11 9 8 1.091 107.450 -165.18 0.0000
13 O7 Oh S 11 9 8 1.449 109.778 78.46 -0.6560
14 H7O Ho E 13 11 9 0.974 109.644 69.17 0.3900
15 C8 Cg 3 11 9 8 1.556 114.439 -45.46 0.3670
16 H8 H1 E 15 11 9 1.091 109.577 68.20 0.0000
17 O8 Oh S 15 11 9 1.460 109.033 -50.18 -0.7040
18 H8O Ho E 17 15 11 0.967 107.039 66.84 0.3920
19 C9 Cg 3 15 11 9 1.547 112.389 -170.25 0.2010
20 H9S H1 E 19 15 11 1.090 110.247 -58.95 0.0000
21 H9R H1 E 19 15 11 1.091 110.087 60.19 0.0000
22 O9 Os E 19 15 11 1.445 110.971 -179.23 -0.4730
23 C5 Cg M 9 8 4 1.541 109.363 -58.37 0.5230
24 H5 H1 E 23 9 8 1.092 109.167 -66.57 0.0000
25 N5 Ng B 23 9 8 1.475 109.670 173.19 -0.6690
26 H5N H E 25 23 9 1.005 117.089 -78.72 0.2610
27 C5N C B 25 23 9 1.332 123.259 97.44 0.6780
28 O5N O E 27 25 23 1.226 121.725 -3.82 -0.6340
29 CME Cg 3 27 25 23 1.541 116.623 176.07 -0.0050
30 H3M Hc E 29 27 25 1.092 111.130 23.27 0.0000
31 H2M Hc E 29 27 25 1.091 109.294 -97.18 0.0000
32 H1M Hc E 29 27 25 1.091 109.699 143.39 0.0000
33 C4 Cg M 23 9 8 1.555 110.257 52.05 0.2030
34 H4 H1 E 33 23 9 1.092 108.890 66.49 0.0000
35 C3 Cg B 33 23 9 1.538 110.759 -52.78 0.1330
36 H3E Hc E 35 33 23 1.093 109.710 176.81 0.0000
37 H3A Hc E 35 33 23 1.093 108.781 -68.27 0.0000
38 O4 Os M 33 23 9 1.460 112.068 -174.46 -0.5180
LOOP
C3 C2
DONE
IgL INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C7 Cg 3 9 8 4 1.539 109.452 -159.96 0.2610
12 H7 H1 E 11 9 8 1.091 108.030 169.67 0.0000
13 O7 Oh S 11 9 8 1.451 109.645 -73.49 -0.7120
14 H7O Ho E 13 11 9 0.975 109.093 -67.68 0.4080
15 C8 Cg 3 11 9 8 1.556 112.912 50.19 0.2810
16 H8 H1 E 15 11 9 1.091 109.679 -63.78 0.0000
17 O8 Oh S 15 11 9 1.465 109.875 55.42 -0.6830
18 H8O Ho E 17 15 11 0.989 111.171 -71.70 0.4230
19 C9 Cg 3 15 11 9 1.546 111.802 175.39 0.2520
20 H9R H1 E 19 15 11 1.091 110.154 -61.57 0.0000
21 H9S H1 E 19 15 11 1.090 110.707 58.01 0.0000
22 O9 Os E 19 15 11 1.442 110.110 178.23 -0.4580
23 C5 Cg M 9 8 4 1.539 107.618 68.71 0.4560
24 H5 H1 E 23 9 8 1.092 108.644 61.52 0.0000
25 N5 Ng B 23 9 8 1.485 110.283 -178.97 -0.7570
26 H5N H E 25 23 9 1.009 118.343 81.24 0.3120
27 C5N C B 25 23 9 1.340 123.871 -93.43 0.6520
28 O5N O E 27 25 23 1.229 120.643 1.25 -0.6120
29 CME Cg 3 27 25 23 1.585 118.309 -179.32 0.2780
30 H1M H1 E 29 27 25 1.090 107.406 -109.99 0.0000
31 H2M H1 E 29 27 25 1.090 107.247 134.99 0.0000
32 OHG Oh S 29 27 25 1.456 118.581 12.68 -0.6530
33 HOG Ho E 32 29 27 0.961 109.618 127.32 0.3850
34 C4 Cg M 23 9 8 1.567 108.763 -56.16 0.3750
35 H4 H1 E 34 23 9 1.091 108.346 -69.62 0.0000
36 C3 Cg B 34 23 9 1.542 112.768 49.82 0.0400
37 H3A Hc E 36 34 23 1.094 108.648 73.23 0.0000
38 H3E Hc E 36 34 23 1.092 110.246 -171.81 0.0000
39 O4 Os M 34 23 9 1.459 111.264 172.12 -0.5580
LOOP
C3 C2
DONE
IsA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C7 Cg 3 9 8 4 1.543 109.559 -161.44 0.1110
12 H7 H1 E 11 9 8 1.091 107.799 168.79 0.0000
13 O7 Oh S 11 9 8 1.460 110.189 -74.65 -0.7210
14 H7O Ho E 13 11 9 0.977 109.950 -68.18 0.4350
15 C8 Cg 3 11 9 8 1.556 112.192 50.24 0.4920
16 H8 H1 E 15 11 9 1.091 109.991 -62.63 0.0000
17 O8 Oh S 15 11 9 1.460 109.072 56.72 -0.7390
18 H8O Ho E 17 15 11 0.983 110.254 -72.72 0.4120
19 C9 Cg 3 15 11 9 1.552 112.385 175.84 0.1780
20 H9R H1 E 19 15 11 1.091 109.920 -62.24 0.0000
21 H9S H1 E 19 15 11 1.090 110.169 56.42 0.0000
22 O9 Os E 19 15 11 1.449 111.722 176.90 -0.4750
23 C5 Cg M 9 8 4 1.544 107.983 67.65 0.3080
24 H5 H1 E 23 9 8 1.092 108.575 62.14 0.0000
25 N5 Ng B 23 9 8 1.484 110.767 -178.16 -0.6290
26 H5N H E 25 23 9 1.007 117.476 80.00 0.2800
27 C5N C B 25 23 9 1.337 123.580 -93.52 0.6320
28 O5N O E 27 25 23 1.228 122.141 0.64 -0.5930
29 CME Cg 3 27 25 23 1.541 116.316 179.71 -0.0030
30 H1M Hc E 29 27 25 1.091 109.337 -90.47 0.0000
31 H2M Hc E 29 27 25 1.091 109.813 150.00 0.0000
32 H3M Hc E 29 27 25 1.092 110.905 29.98 0.0000
33 C4 Cg M 23 9 8 1.560 108.513 -55.53 0.3320
34 H4 H1 E 33 23 9 1.091 108.674 -70.08 0.0000
35 C3 Cg B 33 23 9 1.539 113.169 50.35 0.0060
36 H3A Hc E 35 33 23 1.094 108.947 71.64 0.0000
37 H3E Hc E 35 33 23 1.092 110.387 -172.94 0.0000
38 O4 Os M 33 23 9 1.451 110.232 171.69 -0.5410
LOOP
C3 C2
DONE
IsB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 C5 Cg 3 11 8 4 1.555 110.759 -54.06 0.5230
14 H5 H1 E 13 11 8 1.092 108.107 -66.49 0.0000
15 C6 Cg 3 13 11 8 1.541 110.257 52.78 -0.0080
16 H6 H1 E 15 13 11 1.092 107.098 63.94 0.0000
17 C7 Cg 3 15 13 11 1.547 117.009 -177.41 0.2780
18 H7 H1 E 17 15 13 1.091 107.450 -69.59 0.0000
19 C8 Cg 3 17 15 13 1.556 114.439 170.69 0.3670
20 H8 H1 E 19 17 15 1.091 109.577 -68.20 0.0000
21 C9 Cg 3 19 17 15 1.547 112.389 170.25 0.2010
22 H9R H1 E 21 19 17 1.091 110.087 -60.19 0.0000
23 H9S H1 E 21 19 17 1.090 110.247 58.95 0.0000
24 O9 Os E 21 19 17 1.445 110.971 179.23 -0.4730
25 O8 Oh S 19 17 15 1.460 109.033 50.18 -0.7040
26 H8O Ho E 25 19 17 0.967 107.039 -66.84 0.3920
27 O7 Oh S 17 15 13 1.449 109.778 46.77 -0.6560
28 H7O Ho E 27 17 15 0.974 109.644 -69.17 0.3900
29 O6 Oy E 15 13 11 1.443 109.363 -52.05 -0.3440
30 N5 Ng B 13 11 8 1.475 109.895 173.79 -0.6690
31 H5N H E 30 13 11 1.005 117.089 -42.64 0.2610
32 C5N C B 30 13 11 1.332 123.259 141.20 0.6780
33 CME Cg 3 32 30 13 1.541 116.623 -176.07 -0.0050
34 H1M Hc E 33 32 30 1.091 109.699 -143.39 0.0000
35 H2M Hc E 33 32 30 1.091 109.294 97.18 0.0000
36 H3M Hc E 33 32 30 1.092 111.130 -23.27 0.0000
37 O5N O E 32 30 13 1.226 121.725 3.82 -0.6340
38 O4 Os M 11 8 4 1.460 108.780 -177.65 -0.5180
LOOP
O6 C2
DONE
JGL INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 C5 Cg 3 11 8 4 1.567 112.768 48.37 0.4560
14 H5 H1 E 13 11 8 1.092 108.297 68.08 0.0000
15 C6 Cg 3 13 11 8 1.539 108.763 -49.82 0.0900
16 H6 H1 E 15 13 11 1.090 106.039 -60.75 0.0000
17 C7 Cg 3 15 13 11 1.539 119.513 -178.30 0.2610
18 H7 H1 E 17 15 13 1.091 108.030 65.66 0.0000
19 C8 Cg 3 17 15 13 1.556 112.912 -174.86 0.2810
20 H8 H1 E 19 17 15 1.091 109.679 63.78 0.0000
21 C9 Cg 3 19 17 15 1.546 111.802 -175.39 0.2520
22 H9S H1 E 21 19 17 1.090 110.707 -58.01 0.0000
23 H9R H1 E 21 19 17 1.091 110.154 61.57 0.0000
24 O9 Oh S 21 19 17 1.442 110.110 -178.23 -0.6810
25 H9O Ho E 24 21 19 0.966 105.599 -41.84 0.4170
26 O8 Os E 19 17 15 1.465 109.875 -55.42 -0.4540
27 O7 Oh S 17 15 13 1.451 109.645 -51.18 -0.7120
28 H7O Ho E 27 17 15 0.975 109.093 67.68 0.4080
29 O6 Oy E 15 13 11 1.441 107.618 56.16 -0.3040
30 N5 Ng B 13 11 8 1.485 111.696 -171.77 -0.7570
31 H5N H E 30 13 11 1.009 118.343 39.83 0.3120
32 C5N C B 30 13 11 1.340 123.871 -145.50 0.6520
33 CME Cg 3 32 30 13 1.585 118.309 179.32 0.2780
34 H2M H1 E 33 32 30 1.090 107.247 -134.99 0.0000
35 H1M H1 E 33 32 30 1.090 107.406 109.99 0.0000
36 OHG Oh S 33 32 30 1.456 118.581 -12.68 -0.6530
37 HOG Ho E 36 33 32 0.961 109.618 -127.32 0.3850
38 O5N O E 32 30 13 1.229 120.643 -1.25 -0.6120
39 O4 Os M 11 8 4 1.459 108.592 172.16 -0.5580
LOOP
O6 C2
DONE
JSA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 C5 Cg 3 11 8 4 1.560 113.169 49.81 0.3080
14 H5 H1 E 13 11 8 1.092 108.441 67.41 0.0000
15 C6 Cg 3 13 11 8 1.544 108.513 -50.35 0.2200
16 H6 H1 E 15 13 11 1.090 106.016 -61.45 0.0000
17 C7 Cg 3 15 13 11 1.543 118.917 -178.92 0.1110
18 H7 H1 E 17 15 13 1.091 107.799 66.42 0.0000
19 C8 Cg 3 17 15 13 1.556 112.192 -175.03 0.4920
20 H8 H1 E 19 17 15 1.091 109.991 62.63 0.0000
21 C9 Cg 3 19 17 15 1.552 112.385 -175.84 0.1780
22 H9S H1 E 21 19 17 1.090 110.169 -56.42 0.0000
23 H9R H1 E 21 19 17 1.091 109.920 62.24 0.0000
24 O9 Oh S 21 19 17 1.449 111.722 -176.90 -0.6890
25 H9O Ho E 24 21 19 0.965 107.018 -49.30 0.4080
26 O8 Os E 19 17 15 1.460 109.072 -56.72 -0.5210
27 O7 Oh S 17 15 13 1.460 110.189 -50.14 -0.7210
28 H7O Ho E 27 17 15 0.977 109.950 68.18 0.4350
29 O6 Oy E 15 13 11 1.441 107.983 55.53 -0.4030
30 N5 Ng B 13 11 8 1.484 111.436 -172.57 -0.6290
31 H5N H E 30 13 11 1.007 117.476 40.91 0.2800
32 C5N C B 30 13 11 1.337 123.580 -145.57 0.6320
33 CME Cg 3 32 30 13 1.541 116.316 -179.71 -0.0030
34 H3M Hc E 33 32 30 1.092 110.905 -29.98 0.0000
35 H2M Hc E 33 32 30 1.091 109.813 -150.00 0.0000
36 H1M Hc E 33 32 30 1.091 109.337 90.47 0.0000
37 O5N O E 32 30 13 1.228 122.141 -0.64 -0.5930
38 O4 Os M 11 8 4 1.451 108.218 172.28 -0.5410
LOOP
O6 C2
DONE
JSB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C7 Cg 3 9 8 4 1.547 109.625 172.11 0.2780
12 H7 H1 E 11 9 8 1.091 107.450 -165.18 0.0000
13 O7 Oh S 11 9 8 1.449 109.778 78.46 -0.6560
14 H7O Ho E 13 11 9 0.974 109.644 69.17 0.3900
15 C8 Cg 3 11 9 8 1.556 114.439 -45.46 0.3670
16 H8 H1 E 15 11 9 1.091 109.577 68.20 0.0000
17 O8 Os E 15 11 9 1.460 109.033 -50.18 -0.5060
18 C9 Cg 3 15 11 9 1.547 112.389 -170.25 0.2010
19 H9S H1 E 18 15 11 1.090 110.247 -58.95 0.0000
20 H9R H1 E 18 15 11 1.091 110.087 60.19 0.0000
21 O9 Oh S 18 15 11 1.445 110.971 -179.23 -0.6720
22 H9O Ho E 21 18 15 0.965 106.904 -44.06 0.3930
23 C5 Cg M 9 8 4 1.541 109.363 -58.37 0.5230
24 H5 H1 E 23 9 8 1.092 109.167 -66.57 0.0000
25 N5 Ng B 23 9 8 1.475 109.670 173.19 -0.6690
26 H5N H E 25 23 9 1.005 117.089 -78.72 0.2610
27 C5N C B 25 23 9 1.332 123.259 97.44 0.6780
28 O5N O E 27 25 23 1.226 121.725 -3.82 -0.6340
29 CME Cg 3 27 25 23 1.541 116.623 176.07 -0.0050
30 H3M Hc E 29 27 25 1.092 111.130 23.27 0.0000
31 H2M Hc E 29 27 25 1.091 109.294 -97.18 0.0000
32 H1M Hc E 29 27 25 1.091 109.699 143.39 0.0000
33 C4 Cg M 23 9 8 1.555 110.257 52.05 0.2030
34 H4 H1 E 33 23 9 1.092 108.890 66.49 0.0000
35 C3 Cg B 33 23 9 1.538 110.759 -52.78 0.1330
36 H3E Hc E 35 33 23 1.093 109.710 176.81 0.0000
37 H3A Hc E 35 33 23 1.093 108.781 -68.27 0.0000
38 O4 Os M 33 23 9 1.460 112.068 -174.46 -0.5180
LOOP
C3 C2
DONE
JgL INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C7 Cg 3 9 8 4 1.539 109.452 -159.96 0.2610
12 H7 H1 E 11 9 8 1.091 108.030 169.67 0.0000
13 O7 Oh S 11 9 8 1.451 109.645 -73.49 -0.7120
14 H7O Ho E 13 11 9 0.975 109.093 -67.68 0.4080
15 C8 Cg 3 11 9 8 1.556 112.912 50.19 0.2810
16 H8 H1 E 15 11 9 1.091 109.679 -63.78 0.0000
17 O8 Os E 15 11 9 1.465 109.875 55.42 -0.4540
18 C9 Cg 3 15 11 9 1.546 111.802 175.39 0.2520
19 H9R H1 E 18 15 11 1.091 110.154 -61.57 0.0000
20 H9S H1 E 18 15 11 1.090 110.707 58.01 0.0000
21 O9 Oh S 18 15 11 1.442 110.110 178.23 -0.6810
22 H9O Ho E 21 18 15 0.966 105.599 41.84 0.4170
23 C5 Cg M 9 8 4 1.539 107.618 68.71 0.4560
24 H5 H1 E 23 9 8 1.092 108.644 61.52 0.0000
25 N5 Ng B 23 9 8 1.485 110.283 -178.97 -0.7570
26 H5N H E 25 23 9 1.009 118.343 81.24 0.3120
27 C5N C B 25 23 9 1.340 123.871 -93.43 0.6520
28 O5N O E 27 25 23 1.229 120.643 1.25 -0.6120
29 CME Cg 3 27 25 23 1.585 118.309 -179.32 0.2780
30 H1M H1 E 29 27 25 1.090 107.406 -109.99 0.0000
31 H2M H1 E 29 27 25 1.090 107.247 134.99 0.0000
32 OHG Oh S 29 27 25 1.456 118.581 12.68 -0.6530
33 HOG Ho E 32 29 27 0.961 109.618 127.32 0.3850
34 C4 Cg M 23 9 8 1.567 108.763 -56.16 0.3750
35 H4 H1 E 34 23 9 1.091 108.346 -69.62 0.0000
36 C3 Cg B 34 23 9 1.542 112.768 49.82 0.0400
37 H3A Hc E 36 34 23 1.094 108.648 73.23 0.0000
38 H3E Hc E 36 34 23 1.092 110.246 -171.81 0.0000
39 O4 Os M 34 23 9 1.459 111.264 172.12 -0.5580
LOOP
C3 C2
DONE
JsA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C7 Cg 3 9 8 4 1.543 109.559 -161.44 0.1110
12 H7 H1 E 11 9 8 1.091 107.799 168.79 0.0000
13 O7 Oh S 11 9 8 1.460 110.189 -74.65 -0.7210
14 H7O Ho E 13 11 9 0.977 109.950 -68.18 0.4350
15 C8 Cg 3 11 9 8 1.556 112.192 50.24 0.4920
16 H8 H1 E 15 11 9 1.091 109.991 -62.63 0.0000
17 O8 Os E 15 11 9 1.460 109.072 56.72 -0.5210
18 C9 Cg 3 15 11 9 1.552 112.385 175.84 0.1780
19 H9R H1 E 18 15 11 1.091 109.920 -62.24 0.0000
20 H9S H1 E 18 15 11 1.090 110.169 56.42 0.0000
21 O9 Oh S 18 15 11 1.449 111.722 176.90 -0.6890
22 H9O Ho E 21 18 15 0.965 107.018 49.30 0.4080
23 C5 Cg M 9 8 4 1.544 107.983 67.65 0.3080
24 H5 H1 E 23 9 8 1.092 108.575 62.14 0.0000
25 N5 Ng B 23 9 8 1.484 110.767 -178.16 -0.6290
26 H5N H E 25 23 9 1.007 117.476 80.00 0.2800
27 C5N C B 25 23 9 1.337 123.580 -93.52 0.6320
28 O5N O E 27 25 23 1.228 122.141 0.64 -0.5930
29 CME Cg 3 27 25 23 1.541 116.316 179.71 -0.0030
30 H1M Hc E 29 27 25 1.091 109.337 -90.47 0.0000
31 H2M Hc E 29 27 25 1.091 109.813 150.00 0.0000
32 H3M Hc E 29 27 25 1.092 110.905 29.98 0.0000
33 C4 Cg M 23 9 8 1.560 108.513 -55.53 0.3320
34 H4 H1 E 33 23 9 1.091 108.674 -70.08 0.0000
35 C3 Cg B 33 23 9 1.539 113.169 50.35 0.0060
36 H3A Hc E 35 33 23 1.094 108.947 71.64 0.0000
37 H3E Hc E 35 33 23 1.092 110.387 -172.94 0.0000
38 O4 Os M 33 23 9 1.451 110.232 171.69 -0.5410
LOOP
C3 C2
DONE
JsB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 C5 Cg 3 11 8 4 1.555 110.759 -54.06 0.5230
14 H5 H1 E 13 11 8 1.092 108.107 -66.49 0.0000
15 C6 Cg 3 13 11 8 1.541 110.257 52.78 -0.0080
16 H6 H1 E 15 13 11 1.092 107.098 63.94 0.0000
17 C7 Cg 3 15 13 11 1.547 117.009 -177.41 0.2780
18 H7 H1 E 17 15 13 1.091 107.450 -69.59 0.0000
19 C8 Cg 3 17 15 13 1.556 114.439 170.69 0.3670
20 H8 H1 E 19 17 15 1.091 109.577 -68.20 0.0000
21 C9 Cg 3 19 17 15 1.547 112.389 170.25 0.2010
22 H9R H1 E 21 19 17 1.091 110.087 -60.19 0.0000
23 H9S H1 E 21 19 17 1.090 110.247 58.95 0.0000
24 O9 Oh S 21 19 17 1.445 110.971 179.23 -0.6720
25 H9O Ho E 24 21 19 0.965 106.904 44.06 0.3930
26 O8 Os E 19 17 15 1.460 109.033 50.18 -0.5060
27 O7 Oh S 17 15 13 1.449 109.778 46.77 -0.6560
28 H7O Ho E 27 17 15 0.974 109.644 -69.17 0.3900
29 O6 Oy E 15 13 11 1.443 109.363 -52.05 -0.3440
30 N5 Ng B 13 11 8 1.475 109.895 173.79 -0.6690
31 H5N H E 30 13 11 1.005 117.089 -42.64 0.2610
32 C5N C B 30 13 11 1.332 123.259 141.20 0.6780
33 CME Cg 3 32 30 13 1.541 116.623 -176.07 -0.0050
34 H1M Hc E 33 32 30 1.091 109.699 -143.39 0.0000
35 H2M Hc E 33 32 30 1.091 109.294 97.18 0.0000
36 H3M Hc E 33 32 30 1.092 111.130 -23.27 0.0000
37 O5N O E 32 30 13 1.226 121.725 3.82 -0.6340
38 O4 Os M 11 8 4 1.460 108.780 -177.65 -0.5180
LOOP
O6 C2
DONE
KGL INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.474 98.523 -136.15 -0.0140
5 C1 C B 4 3 2 1.638 139.032 173.99 0.9960
6 O1A O2 E 5 4 3 1.261 115.851 56.24 -0.8260
7 O1B O2 E 5 4 3 1.253 118.911 -132.25 -0.8260
8 C3 Cg M 4 3 2 1.554 103.130 21.44 0.0400
9 H3E Hc E 8 4 3 1.092 110.559 108.29 0.0000
10 H3A Hc E 8 4 3 1.094 109.993 -7.63 0.0000
11 C4 Cg M 8 4 3 1.542 111.835 -128.45 0.3750
12 H4 H1 E 11 8 4 1.091 107.957 -71.29 0.0000
13 C5 Cg 3 11 8 4 1.567 112.768 48.37 0.4560
14 H5 H1 E 13 11 8 1.092 108.297 68.08 0.0000
15 C6 Cg 3 13 11 8 1.539 108.763 -49.82 0.0900
16 H6 H1 E 15 13 11 1.090 106.039 -60.75 0.0000
17 C7 Cg 3 15 13 11 1.539 119.513 -178.30 0.2610
18 H7 H1 E 17 15 13 1.091 108.030 65.66 0.0000
19 C8 Cg 3 17 15 13 1.556 112.912 -174.86 0.2810
20 H8 H1 E 19 17 15 1.091 109.679 63.78 0.0000
21 C9 Cg 3 19 17 15 1.546 111.802 -175.39 0.2520
22 H9S H1 E 21 19 17 1.090 110.707 -58.01 0.0000
23 H9R H1 E 21 19 17 1.091 110.154 61.57 0.0000
24 O9 Oh S 21 19 17 1.442 110.110 -178.23 -0.6810
25 H9O Ho E 24 21 19 0.966 105.599 -41.84 0.4170
26 O8 Oh S 19 17 15 1.465 109.875 -55.42 -0.6830
27 H8O Ho E 26 19 17 0.989 111.171 71.70 0.4230
28 O7 Os E 17 15 13 1.451 109.645 -51.18 -0.4980
29 O6 Oy E 15 13 11 1.441 107.618 56.16 -0.3040
30 N5 Ng B 13 11 8 1.485 111.696 -171.77 -0.7570
31 H5N H E 30 13 11 1.009 118.343 39.83 0.3120
32 C5N C B 30 13 11 1.340 123.871 -145.50 0.6520
33 CME Cg 3 32 30 13 1.585 118.309 179.32 0.2780
34 H2M H1 E 33 32 30 1.090 107.247 -134.99 0.0000
35 H1M H1 E 33 32 30 1.090 107.406 109.99 0.0000
36 OHG Oh S 33 32 30 1.456 118.581 -12.68 -0.6530
37 HOG Ho E 36 33 32 0.961 109.618 -127.32 0.3850
38 O5N O E 32 30 13 1.229 120.643 -1.25 -0.6120
39 O4 Os M 11 8 4 1.459 108.592 172.16 -0.5580
LOOP
O6 C2
DONE
KSA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.507 98.524 -136.13 0.2370
5 C1 C B 4 3 2 1.638 139.314 173.02 0.7890
6 O1A O2 E 5 4 3 1.261 116.232 59.36 -0.7610
7 O1B O2 E 5 4 3 1.255 119.143 -127.21 -0.7610
8 C3 Cg M 4 3 2 1.550 102.309 21.23 0.0060
9 H3E Hc E 8 4 3 1.092 110.728 108.27 0.0000
10 H3A Hc E 8 4 3 1.094 110.177 -8.07 0.0000
11 C4 Cg M 8 4 3 1.539 110.939 -128.80 0.3320
12 H4 H1 E 11 8 4 1.091 108.366 -70.79 0.0000
13 C5 Cg 3 11 8 4 1.560 113.169 49.81 0.3080
14 H5 H1 E 13 11 8 1.092 108.441 67.41 0.0000
15 C6 Cg 3 13 11 8 1.544 108.513 -50.35 0.2200
16 H6 H1 E 15 13 11 1.090 106.016 -61.45 0.0000
17 C7 Cg 3 15 13 11 1.543 118.917 -178.92 0.1110
18 H7 H1 E 17 15 13 1.091 107.799 66.42 0.0000
19 C8 Cg 3 17 15 13 1.556 112.192 -175.03 0.4920
20 H8 H1 E 19 17 15 1.091 109.991 62.63 0.0000
21 C9 Cg 3 19 17 15 1.552 112.385 -175.84 0.1780
22 H9S H1 E 21 19 17 1.090 110.169 -56.42 0.0000
23 H9R H1 E 21 19 17 1.091 109.920 62.24 0.0000
24 O9 Oh S 21 19 17 1.449 111.722 -176.90 -0.6890
25 H9O Ho E 24 21 19 0.965 107.018 -49.30 0.4080
26 O8 Oh S 19 17 15 1.460 109.072 -56.72 -0.7390
27 H8O Ho E 26 19 17 0.983 110.254 72.72 0.4120
28 O7 Os E 17 15 13 1.460 110.189 -50.14 -0.4800
29 O6 Oy E 15 13 11 1.441 107.983 55.53 -0.4030
30 N5 Ng B 13 11 8 1.484 111.436 -172.57 -0.6290
31 H5N H E 30 13 11 1.007 117.476 40.91 0.2800
32 C5N C B 30 13 11 1.337 123.580 -145.57 0.6320
33 CME Cg 3 32 30 13 1.541 116.316 -179.71 -0.0030
34 H3M Hc E 33 32 30 1.092 110.905 -29.98 0.0000
35 H2M Hc E 33 32 30 1.091 109.813 -150.00 0.0000
36 H1M Hc E 33 32 30 1.091 109.337 90.47 0.0000
37 O5N O E 32 30 13 1.228 122.141 -0.64 -0.5930
38 O4 Os M 11 8 4 1.451 108.218 172.28 -0.5410
LOOP
O6 C2
DONE
KSB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 23.497 98.949 -136.00 0.0900
5 C1 C B 4 3 2 1.623 73.459 -93.99 0.9790
6 O1B O2 E 5 4 3 1.259 115.056 -18.63 -0.8390
7 O1A O2 E 5 4 3 1.254 119.478 159.58 -0.8390
8 O6 Oy M 4 3 2 1.445 145.506 159.51 -0.3440
9 C6 Cg M 8 4 3 1.443 119.813 -92.67 -0.0080
10 H6 H1 E 9 8 4 1.092 107.318 57.48 0.0000
11 C7 Cg 3 9 8 4 1.547 109.625 172.11 0.2780
12 H7 H1 E 11 9 8 1.091 107.450 -165.18 0.0000
13 O7 Os E 11 9 8 1.449 109.778 78.46 -0.4600
14 C8 Cg 3 11 9 8 1.556 114.439 -45.46 0.3670
15 H8 H1 E 14 11 9 1.091 109.577 68.20 0.0000
16 O8 Oh S 14 11 9 1.460 109.033 -50.18 -0.7040
17 H8O Ho E 16 14 11 0.967 107.039 66.84 0.3920
18 C9 Cg 3 14 11 9 1.547 112.389 -170.25 0.2010
19 H9S H1 E 18 14 11 1.090 110.247 -58.95 0.0000
20 H9R H1 E 18 14 11 1.091 110.087 60.19 0.0000
21 O9 Oh S 18 14 11 1.445 110.971 -179.23 -0.6720
22 H9O Ho E 21 18 14 0.965 106.904 -44.06 0.3930
23 C5 Cg M 9 8 4 1.541 109.363 -58.37 0.5230
24 H5 H1 E 23 9 8 1.092 109.167 -66.57 0.0000
25 N5 Ng B 23 9 8 1.475 109.670 173.19 -0.6690
26 H5N H E 25 23 9 1.005 117.089 -78.72 0.2610
27 C5N C B 25 23 9 1.332 123.259 97.44 0.6780
28 O5N O E 27 25 23 1.226 121.725 -3.82 -0.6340
29 CME Cg 3 27 25 23 1.541 116.623 176.07 -0.0050
30 H3M Hc E 29 27 25 1.092 111.130 23.27 0.0000
31 H2M Hc E 29 27 25 1.091 109.294 -97.18 0.0000
32 H1M Hc E 29 27 25 1.091 109.699 143.39 0.0000
33 C4 Cg M 23 9 8 1.555 110.257 52.05 0.2030
34 H4 H1 E 33 23 9 1.092 108.890 66.49 0.0000
35 C3 Cg B 33 23 9 1.538 110.759 -52.78 0.1330
36 H3E Hc E 35 33 23 1.093 109.710 176.81 0.0000
37 H3A Hc E 35 33 23 1.093 108.781 -68.27 0.0000
38 O4 Os M 33 23 9 1.460 112.068 -174.46 -0.5180
LOOP
C3 C2
DONE
KgL INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.295 114.946 -133.26 -0.0140
5 C1 C B 4 3 2 1.638 116.137 29.18 0.9960
6 O1B O2 E 5 4 3 1.253 118.911 142.22 -0.8260
7 O1A O2 E 5 4 3 1.261 115.851 -46.27 -0.8260
8 O6 Oy M 4 3 2 1.431 71.403 -75.96 -0.3040
9 C6 Cg M 8 4 3 1.441 115.727 170.61 0.0900
10 H6 H1 E 9 8 4 1.090 109.326 -46.03 0.0000
11 C7 Cg 3 9 8 4 1.539 109.452 -159.96 0.2610
12 H7 H1 E 11 9 8 1.091 108.030 169.67 0.0000
13 O7 Os E 11 9 8 1.451 109.645 -73.49 -0.4980
14 C8 Cg 3 11 9 8 1.556 112.912 50.19 0.2810
15 H8 H1 E 14 11 9 1.091 109.679 -63.78 0.0000
16 O8 Oh S 14 11 9 1.465 109.875 55.42 -0.6830
17 H8O Ho E 16 14 11 0.989 111.171 -71.70 0.4230
18 C9 Cg 3 14 11 9 1.546 111.802 175.39 0.2520
19 H9R H1 E 18 14 11 1.091 110.154 -61.57 0.0000
20 H9S H1 E 18 14 11 1.090 110.707 58.01 0.0000
21 O9 Oh S 18 14 11 1.442 110.110 178.23 -0.6810
22 H9O Ho E 21 18 14 0.966 105.599 41.84 0.4170
23 C5 Cg M 9 8 4 1.539 107.618 68.71 0.4560
24 H5 H1 E 23 9 8 1.092 108.644 61.52 0.0000
25 N5 Ng B 23 9 8 1.485 110.283 -178.97 -0.7570
26 H5N H E 25 23 9 1.009 118.343 81.24 0.3120
27 C5N C B 25 23 9 1.340 123.871 -93.43 0.6520
28 O5N O E 27 25 23 1.229 120.643 1.25 -0.6120
29 CME Cg 3 27 25 23 1.585 118.309 -179.32 0.2780
30 H1M H1 E 29 27 25 1.090 107.406 -109.99 0.0000
31 H2M H1 E 29 27 25 1.090 107.247 134.99 0.0000
32 OHG Oh S 29 27 25 1.456 118.581 12.68 -0.6530
33 HOG Ho E 32 29 27 0.961 109.618 127.32 0.3850
34 C4 Cg M 23 9 8 1.567 108.763 -56.16 0.3750
35 H4 H1 E 34 23 9 1.091 108.346 -69.62 0.0000
36 C3 Cg B 34 23 9 1.542 112.768 49.82 0.0400
37 H3A Hc E 36 34 23 1.094 108.648 73.23 0.0000
38 H3E Hc E 36 34 23 1.092 110.246 -171.81 0.0000
39 O4 Os M 34 23 9 1.459 111.264 172.12 -0.5580
LOOP
C3 C2
DONE
KsA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.325 114.925 -133.25 0.2370
5 C1 C B 4 3 2 1.638 116.547 29.83 0.7890
6 O1B O2 E 5 4 3 1.255 119.143 137.62 -0.7610
7 O1A O2 E 5 4 3 1.261 116.232 -48.95 -0.7610
8 O6 Oy M 4 3 2 1.434 70.506 -75.66 -0.4030
9 C6 Cg M 8 4 3 1.441 115.367 171.46 0.2200
10 H6 H1 E 9 8 4 1.090 109.244 -47.22 0.0000
11 C7 Cg 3 9 8 4 1.543 109.559 -161.44 0.1110
12 H7 H1 E 11 9 8 1.091 107.799 168.79 0.0000
13 O7 Os E 11 9 8 1.460 110.189 -74.65 -0.4800
14 C8 Cg 3 11 9 8 1.556 112.192 50.24 0.4920
15 H8 H1 E 14 11 9 1.091 109.991 -62.63 0.0000
16 O8 Oh S 14 11 9 1.460 109.072 56.72 -0.7390
17 H8O Ho E 16 14 11 0.983 110.254 -72.72 0.4120
18 C9 Cg 3 14 11 9 1.552 112.385 175.84 0.1780
19 H9R H1 E 18 14 11 1.091 109.920 -62.24 0.0000
20 H9S H1 E 18 14 11 1.090 110.169 56.42 0.0000
21 O9 Oh S 18 14 11 1.449 111.722 176.90 -0.6890
22 H9O Ho E 21 18 14 0.965 107.018 49.30 0.4080
23 C5 Cg M 9 8 4 1.544 107.983 67.65 0.3080
24 H5 H1 E 23 9 8 1.092 108.575 62.14 0.0000
25 N5 Ng B 23 9 8 1.484 110.767 -178.16 -0.6290
26 H5N H E 25 23 9 1.007 117.476 80.00 0.2800
27 C5N C B 25 23 9 1.337 123.580 -93.52 0.6320
28 O5N O E 27 25 23 1.228 122.141 0.64 -0.5930
29 CME Cg 3 27 25 23 1.541 116.316 179.71 -0.0030
30 H1M Hc E 29 27 25 1.091 109.337 -90.47 0.0000
31 H2M Hc E 29 27 25 1.091 109.813 150.00 0.0000
32 H3M Hc E 29 27 25 1.092 110.905 29.98 0.0000
33 C4 Cg M 23 9 8 1.560 108.513 -55.53 0.3320
34 H4 H1 E 33 23 9 1.091 108.674 -70.08 0.0000
35 C3 Cg B 33 23 9 1.539 113.169 50.35 0.0060
36 H3A Hc E 35 33 23 1.094 108.947 71.64 0.0000
37 H3E Hc E 35 33 23 1.092 110.387 -172.94 0.0000
38 O4 Os M 33 23 9 1.451 110.232 171.69 -0.5410
LOOP
C3 C2
DONE
KsB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cy M 3 2 1 33.253 114.741 -133.00 0.0900
5 C1 C B 4 3 2 1.623 66.718 -65.26 0.9790
6 O1A O2 E 5 4 3 1.254 119.478 175.56 -0.8390
7 O1B O2 E 5 4 3 1.259 115.056 -6.23 -0.8390
8 C3 Cg M 4 3 2 1.549 127.310 -158.14 0.1330
9 H3A Hc E 8 4 3 1.093 110.142 124.25 0.0000
10 H3E Hc E 8 4 3 1.093 109.955 8.42 0.0000
11 C4 Cg M 8 4 3 1.538 112.523 -114.19 0.2030
12 H4 H1 E 11 8 4 1.092 108.531 65.43 0.0000
13 C5 Cg 3 11 8 4 1.555 110.759 -54.06 0.5230
14 H5 H1 E 13 11 8 1.092 108.107 -66.49 0.0000
15 C6 Cg 3 13 11 8 1.541 110.257 52.78 -0.0080
16 H6 H1 E 15 13 11 1.092 107.098 63.94 0.0000
17 C7 Cg 3 15 13 11 1.547 117.009 -177.41 0.2780
18 H7 H1 E 17 15 13 1.091 107.450 -69.59 0.0000
19 C8 Cg 3 17 15 13 1.556 114.439 170.69 0.3670
20 H8 H1 E 19 17 15 1.091 109.577 -68.20 0.0000
21 C9 Cg 3 19 17 15 1.547 112.389 170.25 0.2010
22 H9R H1 E 21 19 17 1.091 110.087 -60.19 0.0000
23 H9S H1 E 21 19 17 1.090 110.247 58.95 0.0000
24 O9 Oh S 21 19 17 1.445 110.971 179.23 -0.6720
25 H9O Ho E 24 21 19 0.965 106.904 44.06 0.3930
26 O8 Oh S 19 17 15 1.460 109.033 50.18 -0.7040
27 H8O Ho E 26 19 17 0.967 107.039 -66.84 0.3920
28 O7 Os E 17 15 13 1.449 109.778 46.77 -0.4600
29 O6 Oy E 15 13 11 1.443 109.363 -52.05 -0.3440
30 N5 Ng B 13 11 8 1.475 109.895 173.79 -0.6690
31 H5N H E 30 13 11 1.005 117.089 -42.64 0.2610
32 C5N C B 30 13 11 1.332 123.259 141.20 0.6780
33 CME Cg 3 32 30 13 1.541 116.623 -176.07 -0.0050
34 H1M Hc E 33 32 30 1.091 109.699 -143.39 0.0000
35 H2M Hc E 33 32 30 1.091 109.294 97.18 0.0000
36 H3M Hc E 33 32 30 1.092 111.130 -23.27 0.0000
37 O5N O E 32 30 13 1.226 121.725 3.82 -0.6340
38 O4 Os M 11 8 4 1.460 108.780 -177.65 -0.5180
LOOP
O6 C2
DONE
O-Methyl RESP 0.010 HF/6-31G*//HF/6-31G*, Adjust charge on the nearest carbon in the sugar
MEX INT 0
CORRECT OMIT DU BEG
0.2330
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 CH3 Cg M 3 2 1 7.197 127.853 -163.43 0.2330
5 H1 H1 E 4 3 2 1.085 46.873 132.02 0.0000
6 H2 H1 E 4 3 2 1.085 68.995 -13.56 0.0000
7 H3 H1 E 4 3 2 1.085 144.863 77.20 0.0000
DONE
ASPARAGINE for N-Linking to Sugars
NLN INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 N N M 3 2 1 10.651 120.434 -167.49 -0.4157
5 H H E 4 3 2 1.010 89.713 -46.79 0.2719
6 CA CT M 4 3 2 1.449 144.924 98.09 0.0143
7 HA H1 E 6 4 3 1.090 109.500 -19.19 0.1048
8 CB CT 3 6 4 3 1.525 111.100 100.81 -0.2041
9 HB2 Hc E 8 6 4 1.090 109.500 -60.00 0.0797
10 HB3 Hc E 8 6 4 1.090 109.500 60.00 0.0797
11 Cg C B 8 6 4 1.522 111.100 -180.00 0.7130
12 OD1 O E 11 8 6 1.229 120.500 0.00 -0.5931
13 ND2 Ng S 11 8 6 1.335 116.600 -180.00 -0.6935
14 HD21 H E 13 11 8 1.010 119.800 0.00 0.4196
15 C C M 6 4 3 1.522 111.100 -139.19 0.5973
16 O O E 15 6 4 1.229 120.500 0.00 -0.5679
DONE
SERINE for O-Linked Sugars
OLS INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 N N M 3 2 1 10.651 120.434 -167.49 -0.4157
5 H H E 4 3 2 1.010 89.713 -46.79 0.2719
6 CA CT M 4 3 2 1.449 144.924 98.09 -0.0249
7 HA H1 E 6 4 3 1.090 109.500 -19.19 0.0843
8 CB CT 3 6 4 3 1.525 111.100 100.81 0.2117
9 HB2 H1 E 8 6 4 1.090 109.500 -60.00 0.0352
10 HB3 H1 E 8 6 4 1.090 109.500 60.00 0.0352
11 OG Os E 8 6 4 1.430 109.470 -180.00 -0.4211
12 C C M 6 4 3 1.522 111.100 -139.19 0.5973
13 O O E 12 6 4 1.229 120.500 0.00 -0.5679
DONE
THREONINE for O-Linked Sugars
OLT INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 N N M 3 2 1 10.651 120.434 -167.49 -0.4157
5 H H E 4 3 2 1.010 89.713 -46.79 0.2719
6 CA CT M 4 3 2 1.449 144.924 98.09 -0.0389
7 HA H1 E 6 4 3 1.090 109.500 -19.19 0.1007
8 CB CT 3 6 4 3 1.525 111.100 100.81 0.3654
9 HB H1 E 8 6 4 1.090 109.500 -60.00 0.0043
10 CG2 CT 3 8 6 4 1.525 109.470 60.00 -0.2438
11 HG21 Hc E 10 8 6 1.090 109.500 60.00 0.0642
12 HG22 Hc E 10 8 6 1.090 109.500 180.00 0.0642
13 HG23 Hc E 10 8 6 1.090 109.500 -60.00 0.0642
14 OG1 Os E 8 6 4 1.430 109.470 -180.00 -0.4599
15 C C M 6 4 3 1.522 111.100 -139.19 0.5973
16 O O E 15 6 4 1.229 120.500 0.00 -0.5679
DONE
O-Methyl RESP 0.010 HF/6-31G*//HF/6-31G*
OME INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 H1 H1 M 3 2 1 7.197 127.853 -163.43 0.0000
5 CH3 Cg M 4 3 2 1.085 46.873 132.02 0.2640
6 H2 H1 E 5 4 3 1.085 111.400 147.97 0.0000
7 H3 H1 E 5 4 3 1.085 111.400 27.97 0.0000
8 O Os M 5 4 3 1.399 107.000 -92.03 -0.4580
DONE
PEA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 C3 Cg 3 6 4 3 1.541 114.896 172.06 0.3280
9 H3 H1 E 8 6 4 1.091 110.106 -167.45 0.0000
10 C4 Cg 3 8 6 4 1.544 111.809 -45.05 0.2610
11 H4 H1 E 10 8 6 1.091 108.188 -68.68 0.0000
12 C5 Cg 3 10 8 6 1.541 113.133 51.50 0.3740
13 H5 H1 E 12 10 8 1.092 109.237 63.30 0.0000
14 C6 Cg 3 12 10 8 1.535 114.012 -174.39 0.2590
15 H62 H1 E 14 12 10 1.090 110.525 -56.55 0.0000
16 H61 H1 E 14 12 10 1.091 110.727 63.66 0.0000
17 O6 Os E 14 12 10 1.434 108.916 -175.95 -0.4510
18 O5 Os E 12 10 8 1.485 107.816 -54.81 -0.5870
19 O4 Os E 10 8 6 1.439 109.304 174.29 -0.5000
20 O3 Os E 8 6 4 1.442 106.866 75.38 -0.4880
21 O2 Os M 6 4 3 1.437 106.903 53.10 -0.4370
LOOP
O5 C1
DONE
PEB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Os E 9 7 6 1.439 109.977 57.72 -0.4630
13 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
14 H4 H1 E 13 7 6 1.091 108.584 66.50 0.0000
15 O4 Os E 13 7 6 1.457 110.564 -175.67 -0.4980
16 C3 Cg M 13 7 6 1.554 111.196 -53.07 0.3150
17 H3 H1 E 16 13 7 1.091 109.198 176.72 0.0000
18 O3 Os E 16 13 7 1.454 110.601 -64.53 -0.4720
19 C2 Cg M 16 13 7 1.540 111.264 55.77 0.1840
20 H2 H1 E 19 16 13 1.091 109.856 -175.33 0.0000
21 O2 Os M 19 16 13 1.463 107.825 66.95 -0.4590
LOOP
C2 C1
DONE
PGA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 C3 Cg 3 6 4 3 1.543 111.424 -164.87 0.2860
9 H3 H1 E 8 6 4 1.092 109.239 69.49 0.0000
10 C4 Cg 3 8 6 4 1.547 112.114 -52.22 0.2540
11 H4 H1 E 10 8 6 1.092 109.454 -66.45 0.0000
12 C5 Cg 3 10 8 6 1.543 111.254 54.50 0.2830
13 H5 H1 E 12 10 8 1.092 108.261 65.38 0.0000
14 C6 Cg 3 12 10 8 1.546 112.538 -174.79 0.2760
15 H62 H1 E 14 12 10 1.090 110.682 -45.93 0.0000
16 H61 H1 E 14 12 10 1.091 110.014 73.31 0.0000
17 O6 Os E 14 12 10 1.444 110.823 -165.78 -0.4580
18 O5 Os E 12 10 8 1.500 109.539 -52.54 -0.5740
19 O4 Os E 10 8 6 1.451 108.956 174.69 -0.4680
20 O3 Os E 8 6 4 1.452 108.531 -172.18 -0.4660
21 O2 Os M 6 4 3 1.465 111.499 -41.43 -0.4700
LOOP
O5 C1
DONE
PGB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Os E 9 7 6 1.440 109.810 57.27 -0.4580
13 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
14 H4 H1 E 13 7 6 1.092 109.352 66.92 0.0000
15 O4 Os E 13 7 6 1.448 108.899 -174.36 -0.4680
16 C3 Cg M 13 7 6 1.548 111.306 -54.04 0.2840
17 H3 H1 E 16 13 7 1.092 109.104 -67.30 0.0000
18 O3 Os E 16 13 7 1.454 108.817 174.47 -0.4710
19 C2 Cg M 16 13 7 1.545 112.113 53.55 0.3100
20 H2 H1 E 19 16 13 1.092 109.394 68.33 0.0000
21 O2 Os M 19 16 13 1.458 108.975 -172.91 -0.4750
LOOP
C2 C1
DONE
PKA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 C3 Cg 3 6 4 3 1.544 115.219 178.76 0.3540
9 H3 H1 E 8 6 4 1.091 109.846 -171.16 0.0000
10 C4 Cg 3 8 6 4 1.541 111.196 -48.97 0.1960
11 H4 H1 E 10 8 6 1.091 109.723 170.85 0.0000
12 C5 Cg 3 10 8 6 1.549 113.058 48.50 0.3010
13 H5 H1 E 12 10 8 1.092 107.347 66.38 0.0000
14 C6 Cg 3 12 10 8 1.535 114.885 -173.99 0.2870
15 H62 H1 E 14 12 10 1.090 110.246 -52.70 0.0000
16 H61 H1 E 14 12 10 1.091 110.887 67.51 0.0000
17 O6 Os E 14 12 10 1.434 108.908 -172.15 -0.4630
18 O5 Os E 12 10 8 1.489 109.902 -50.90 -0.5400
19 O4 Os E 10 8 6 1.440 107.338 -72.13 -0.4860
20 O3 Os E 8 6 4 1.440 110.218 69.79 -0.5020
21 O2 Os M 6 4 3 1.439 110.808 -54.40 -0.4830
LOOP
O5 C1
DONE
PKB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Os E 9 7 6 1.441 110.162 62.18 -0.4480
13 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
14 H4 H1 E 13 7 6 1.091 108.867 -172.31 0.0000
15 O4 Os E 13 7 6 1.455 110.952 69.39 -0.4690
16 C3 Cg M 13 7 6 1.545 111.117 -51.77 0.2530
17 H3 H1 E 16 13 7 1.091 109.391 173.95 0.0000
18 O3 Os E 16 13 7 1.452 107.992 -68.85 -0.4620
19 C2 Cg M 16 13 7 1.547 111.988 52.75 0.3080
20 H2 H1 E 19 16 13 1.091 108.509 65.85 0.0000
21 O2 Os M 19 16 13 1.462 109.337 -176.76 -0.4780
LOOP
C2 C1
DONE
PLA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 C3 Cg 3 6 4 3 1.541 112.432 -178.15 0.2530
9 H3 H1 E 8 6 4 1.091 109.206 67.02 0.0000
10 C4 Cg 3 8 6 4 1.544 111.714 -53.08 0.2040
11 H4 H1 E 10 8 6 1.091 109.766 175.51 0.0000
12 C5 Cg 3 10 8 6 1.544 110.422 54.48 0.2160
13 H5 H1 E 12 10 8 1.092 107.514 62.91 0.0000
14 C6 Cg 3 12 10 8 1.535 114.934 -177.18 0.3080
15 H62 H1 E 14 12 10 1.090 110.251 -53.15 0.0000
16 H61 H1 E 14 12 10 1.091 110.918 67.08 0.0000
17 O6 Os E 14 12 10 1.434 108.858 -172.60 -0.4600
18 O5 Os E 12 10 8 1.490 109.289 -54.45 -0.5270
19 O4 Os E 10 8 6 1.445 109.785 -64.95 -0.4310
20 O3 Os E 8 6 4 1.440 110.035 -174.48 -0.4620
21 O2 Os M 6 4 3 1.440 109.403 -55.56 -0.4870
LOOP
O5 C1
DONE
PLB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Os E 9 7 6 1.437 109.027 63.12 -0.4680
13 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
14 H4 H1 E 13 7 6 1.091 109.333 -173.92 0.0000
15 O4 Os E 13 7 6 1.449 109.628 67.34 -0.4210
16 C3 Cg M 13 7 6 1.546 110.517 -53.62 0.2590
17 H3 H1 E 16 13 7 1.092 108.098 -64.81 0.0000
18 O3 Os E 16 13 7 1.455 109.126 178.29 -0.4550
19 C2 Cg M 16 13 7 1.547 112.254 55.04 0.3570
20 H2 H1 E 19 16 13 1.092 109.716 67.43 0.0000
21 O2 Os M 19 16 13 1.459 108.705 -173.71 -0.4880
LOOP
C2 C1
DONE
PMA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 C3 Cg 3 6 4 3 1.545 110.571 -158.93 0.2520
9 H3 H1 E 8 6 4 1.092 108.528 64.93 0.0000
10 C4 Cg 3 8 6 4 1.549 111.609 -54.79 0.3260
11 H4 H1 E 10 8 6 1.091 109.865 -64.38 0.0000
12 C5 Cg 3 10 8 6 1.546 110.605 57.15 0.2760
13 H5 H1 E 12 10 8 1.092 108.214 65.71 0.0000
14 C6 Cg 3 12 10 8 1.544 112.153 -174.59 0.2660
15 H62 H1 E 14 12 10 1.090 110.579 -46.84 0.0000
16 H61 H1 E 14 12 10 1.091 110.051 72.33 0.0000
17 O6 Os E 14 12 10 1.444 110.952 -166.67 -0.4600
18 O5 Os E 12 10 8 1.497 110.394 -52.31 -0.5070
19 O4 Os E 10 8 6 1.452 108.734 176.59 -0.4890
20 O3 Os E 8 6 4 1.461 109.595 -177.93 -0.4590
21 O2 Os M 6 4 3 1.459 110.007 79.71 -0.4650
LOOP
O5 C1
DONE
PMB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Os E 9 7 6 1.439 109.850 57.44 -0.4550
13 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
14 H4 H1 E 13 7 6 1.091 109.789 70.94 0.0000
15 O4 Os E 13 7 6 1.452 108.352 -170.58 -0.4970
16 C3 Cg M 13 7 6 1.553 110.419 -50.51 0.2630
17 H3 H1 E 16 13 7 1.092 108.588 -60.79 0.0000
18 O3 Os E 16 13 7 1.457 111.995 -178.50 -0.4560
19 C2 Cg M 16 13 7 1.547 110.623 57.43 0.2410
20 H2 H1 E 19 16 13 1.091 110.076 180.00 0.0000
21 O2 Os M 19 16 13 1.459 110.769 59.28 -0.4270
LOOP
C2 C1
DONE
PNA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 C3 Cg 3 6 4 3 1.541 114.996 179.46 0.3300
9 H3 H1 E 8 6 4 1.091 109.966 -173.17 0.0000
10 C4 Cg 3 8 6 4 1.543 108.602 -52.73 0.1670
11 H4 H1 E 10 8 6 1.091 108.011 -66.83 0.0000
12 C5 Cg 3 10 8 6 1.545 113.659 53.52 0.4040
13 H5 H1 E 12 10 8 1.092 109.059 65.09 0.0000
14 C6 Cg 3 12 10 8 1.535 113.747 -172.97 0.2800
15 H62 H1 E 14 12 10 1.090 110.540 -56.41 0.0000
16 H61 H1 E 14 12 10 1.091 110.668 63.75 0.0000
17 O6 Os E 14 12 10 1.434 109.011 -175.88 -0.4610
18 O5 Os E 12 10 8 1.489 108.589 -53.11 -0.6110
19 O4 Os E 10 8 6 1.439 109.206 176.30 -0.4830
20 O3 Os E 8 6 4 1.445 109.604 67.22 -0.4670
21 O2 Os M 6 4 3 1.439 110.664 -54.19 -0.4470
LOOP
O5 C1
DONE
PNB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Os E 9 7 6 1.438 109.178 57.79 -0.4650
13 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
14 H4 H1 E 13 7 6 1.091 108.641 63.49 0.0000
15 O4 Os E 13 7 6 1.447 110.674 -178.31 -0.4710
16 C3 Cg M 13 7 6 1.546 111.303 -56.16 0.2340
17 H3 H1 E 16 13 7 1.092 109.685 177.82 0.0000
18 O3 Os E 16 13 7 1.458 109.719 -63.09 -0.4200
19 C2 Cg M 16 13 7 1.544 109.920 57.50 0.3010
20 H2 H1 E 19 16 13 1.093 108.226 64.66 0.0000
21 O2 Os M 19 16 13 1.458 109.185 -178.16 -0.4730
LOOP
C2 C1
DONE
PTA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 C3 Cg 3 6 4 3 1.545 112.024 178.31 0.1240
9 H3 H1 E 8 6 4 1.091 106.708 69.61 0.0000
10 C4 Cg 3 8 6 4 1.543 114.910 -48.48 0.4340
11 H4 H1 E 10 8 6 1.091 109.633 172.69 0.0000
12 C5 Cg 3 10 8 6 1.544 109.739 52.34 0.1570
13 H5 H1 E 12 10 8 1.092 107.463 63.77 0.0000
14 C6 Cg 3 12 10 8 1.535 114.896 -176.35 0.3040
15 H62 H1 E 14 12 10 1.090 110.263 -52.86 0.0000
16 H61 H1 E 14 12 10 1.091 110.896 67.37 0.0000
17 O6 Os E 14 12 10 1.434 108.863 -172.31 -0.4620
18 O5 Os E 12 10 8 1.488 109.541 -53.52 -0.4800
19 O4 Os E 10 8 6 1.443 110.261 -67.82 -0.5080
20 O3 Os E 8 6 4 1.439 110.774 -174.86 -0.4390
21 O2 Os M 6 4 3 1.440 106.453 57.61 -0.4130
LOOP
O5 C1
DONE
PTB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Os E 9 7 6 1.434 108.837 64.00 -0.4540
13 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
14 H4 H1 E 13 7 6 1.091 109.475 -172.25 0.0000
15 O4 Os E 13 7 6 1.443 108.917 69.31 -0.4070
16 C3 Cg M 13 7 6 1.547 110.218 -51.66 0.1740
17 H3 H1 E 16 13 7 1.091 106.762 -67.21 0.0000
18 O3 Os E 16 13 7 1.439 110.707 177.22 -0.4470
19 C2 Cg M 16 13 7 1.545 114.890 50.96 0.3400
20 H2 H1 E 19 16 13 1.091 109.957 -172.30 0.0000
21 O2 Os M 19 16 13 1.444 109.766 67.90 -0.4340
LOOP
C2 C1
DONE
PeA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Os E 9 7 6 1.434 108.916 -64.43 -0.4510
13 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
14 H4 H1 E 13 7 6 1.091 108.456 -65.22 0.0000
15 O4 Os E 13 7 6 1.439 109.886 177.28 -0.5000
16 C3 Cg M 13 7 6 1.544 113.133 54.81 0.3280
17 H3 H1 E 16 13 7 1.091 109.843 -174.05 0.0000
18 O3 Os E 16 13 7 1.442 110.012 67.08 -0.4880
19 C2 Cg M 16 13 7 1.541 111.809 -51.50 0.1790
20 H2 H1 E 19 16 13 1.092 109.967 169.74 0.0000
21 O2 Os M 19 16 13 1.437 107.327 -73.67 -0.4370
LOOP
C2 C1
DONE
PeB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 C3 Cg 3 6 4 3 1.540 108.887 135.69 0.3150
9 H3 H1 E 8 6 4 1.091 109.473 176.26 0.0000
10 C4 Cg 3 8 6 4 1.554 111.264 55.47 0.3200
11 H4 H1 E 10 8 6 1.091 108.716 63.72 0.0000
12 C5 Cg 3 10 8 6 1.549 111.196 -55.77 0.2570
13 H5 H1 E 12 10 8 1.092 109.111 -65.44 0.0000
14 C6 Cg 3 12 10 8 1.541 112.018 174.42 0.2780
15 H61 H1 E 14 12 10 1.090 110.614 60.34 0.0000
16 H62 H1 E 14 12 10 1.091 110.136 -59.38 0.0000
17 O6 Os E 14 12 10 1.439 109.977 -179.42 -0.4630
18 O5 Os E 12 10 8 1.501 109.730 53.07 -0.5320
19 O4 Os E 10 8 6 1.457 110.079 -178.65 -0.4980
20 O3 Os E 8 6 4 1.454 108.210 -66.23 -0.4720
21 O2 Os M 6 4 3 1.463 112.571 -104.80 -0.4590
LOOP
O5 C1
DONE
PgA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Os E 9 7 6 1.444 110.823 -72.03 -0.4580
13 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
14 H4 H1 E 13 7 6 1.092 109.342 -68.48 0.0000
15 O4 Os E 13 7 6 1.451 108.995 172.71 -0.4680
16 C3 Cg M 13 7 6 1.547 111.254 52.54 0.2860
17 H3 H1 E 16 13 7 1.092 109.616 66.99 0.0000
18 O3 Os E 16 13 7 1.452 108.604 -174.42 -0.4660
19 C2 Cg M 16 13 7 1.543 112.114 -54.50 0.2460
20 H2 H1 E 19 16 13 1.091 108.373 -65.99 0.0000
21 O2 Os M 19 16 13 1.465 110.086 176.46 -0.4700
LOOP
C2 C1
DONE
PgB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 C3 Cg 3 6 4 3 1.545 110.380 140.59 0.2840
9 H3 H1 E 8 6 4 1.092 109.008 -69.00 0.0000
10 C4 Cg 3 8 6 4 1.548 112.113 51.91 0.2760
11 H4 H1 E 10 8 6 1.092 109.378 67.39 0.0000
12 C5 Cg 3 10 8 6 1.543 111.306 -53.55 0.2250
13 H5 H1 E 12 10 8 1.092 109.126 -64.00 0.0000
14 C6 Cg 3 12 10 8 1.541 112.515 175.39 0.2820
15 H61 H1 E 14 12 10 1.090 110.609 61.43 0.0000
16 H62 H1 E 14 12 10 1.091 110.212 -58.37 0.0000
17 O6 Os E 14 12 10 1.440 109.810 -178.39 -0.4580
18 O5 Os E 12 10 8 1.495 108.909 54.04 -0.4710
19 O4 Os E 10 8 6 1.448 109.104 -173.75 -0.4680
20 O3 Os E 8 6 4 1.454 109.219 172.60 -0.4710
21 O2 Os M 6 4 3 1.458 110.080 20.25 -0.4750
LOOP
O5 C1
DONE
PkA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Os E 9 7 6 1.434 108.908 -64.18 -0.4630
13 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
14 H4 H1 E 13 7 6 1.091 109.347 173.46 0.0000
15 O4 Os E 13 7 6 1.440 109.315 -68.60 -0.4860
16 C3 Cg M 13 7 6 1.541 113.058 50.90 0.3540
17 H3 H1 E 16 13 7 1.091 110.148 -170.51 0.0000
18 O3 Os E 16 13 7 1.440 107.217 72.05 -0.5020
19 C2 Cg M 16 13 7 1.544 111.196 -48.50 0.2810
20 H2 H1 E 19 16 13 1.091 106.696 -68.80 0.0000
21 O2 Os M 19 16 13 1.439 110.836 175.80 -0.4830
LOOP
C2 C1
DONE
PkB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 C3 Cg 3 6 4 3 1.547 110.415 140.23 0.2530
9 H3 H1 E 8 6 4 1.091 109.195 174.71 0.0000
10 C4 Cg 3 8 6 4 1.545 111.988 53.40 0.2170
11 H4 H1 E 10 8 6 1.091 109.393 -172.98 0.0000
12 C5 Cg 3 10 8 6 1.553 111.117 -52.75 0.3030
13 H5 H1 E 12 10 8 1.092 107.789 -66.12 0.0000
14 C6 Cg 3 12 10 8 1.542 113.025 175.07 0.2590
15 H61 H1 E 14 12 10 1.090 110.096 53.77 0.0000
16 H62 H1 E 14 12 10 1.090 110.533 -65.83 0.0000
17 O6 Os E 14 12 10 1.441 110.162 173.71 -0.4480
18 O5 Os E 12 10 8 1.499 110.891 51.77 -0.5140
19 O4 Os E 10 8 6 1.455 108.780 69.68 -0.4690
20 O3 Os E 8 6 4 1.452 110.271 -66.88 -0.4620
21 O2 Os M 6 4 3 1.462 111.766 18.28 -0.4780
LOOP
O5 C1
DONE
PlA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Os E 9 7 6 1.434 108.858 -64.45 -0.4600
13 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
14 H4 H1 E 13 7 6 1.091 109.671 175.54 0.0000
15 O4 Os E 13 7 6 1.445 108.372 -65.83 -0.4310
16 C3 Cg M 13 7 6 1.544 110.422 54.45 0.2530
17 H3 H1 E 16 13 7 1.091 108.559 66.00 0.0000
18 O3 Os E 16 13 7 1.440 109.147 -176.39 -0.4620
19 C2 Cg M 16 13 7 1.541 111.714 -54.48 0.3390
20 H2 H1 E 19 16 13 1.091 108.995 -66.63 0.0000
21 O2 Os M 19 16 13 1.440 110.049 175.31 -0.4870
LOOP
C2 C1
DONE
PlB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 C3 Cg 3 6 4 3 1.547 110.130 140.44 0.2590
9 H3 H1 E 8 6 4 1.092 108.676 -66.21 0.0000
10 C4 Cg 3 8 6 4 1.546 112.254 53.31 0.2030
11 H4 H1 E 10 8 6 1.091 109.260 -175.38 0.0000
12 C5 Cg 3 10 8 6 1.545 110.517 -55.04 0.1400
13 H5 H1 E 12 10 8 1.092 107.648 -63.90 0.0000
14 C6 Cg 3 12 10 8 1.539 113.155 176.88 0.3190
15 H61 H1 E 14 12 10 1.090 110.337 53.86 0.0000
16 H62 H1 E 14 12 10 1.091 110.848 -66.38 0.0000
17 O6 Os E 14 12 10 1.437 109.027 173.44 -0.4680
18 O5 Os E 12 10 8 1.495 110.103 53.62 -0.4020
19 O4 Os E 10 8 6 1.449 109.638 65.91 -0.4210
20 O3 Os E 8 6 4 1.455 110.815 175.60 -0.4550
21 O2 Os M 6 4 3 1.459 109.860 20.73 -0.4880
LOOP
O5 C1
DONE
PmA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Os E 9 7 6 1.444 110.952 -70.49 -0.4600
13 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
14 H4 H1 E 13 7 6 1.091 109.924 -69.18 0.0000
15 O4 Os E 13 7 6 1.452 108.824 171.70 -0.4890
16 C3 Cg M 13 7 6 1.549 110.605 52.31 0.2520
17 H3 H1 E 16 13 7 1.092 108.663 62.49 0.0000
18 O3 Os E 16 13 7 1.461 110.813 -179.59 -0.4590
19 C2 Cg M 16 13 7 1.545 111.609 -57.15 0.2450
20 H2 H1 E 19 16 13 1.091 109.207 175.17 0.0000
21 O2 Os M 19 16 13 1.459 109.731 -66.73 -0.4650
LOOP
C2 C1
DONE
PmB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 C3 Cg 3 6 4 3 1.547 107.300 140.06 0.2630
9 H3 H1 E 8 6 4 1.092 107.890 -58.13 0.0000
10 C4 Cg 3 8 6 4 1.553 110.623 60.52 0.3490
11 H4 H1 E 10 8 6 1.091 109.997 63.90 0.0000
12 C5 Cg 3 10 8 6 1.550 110.419 -57.43 0.2060
13 H5 H1 E 12 10 8 1.092 108.705 -67.76 0.0000
14 C6 Cg 3 12 10 8 1.539 111.873 172.30 0.2730
15 H61 H1 E 14 12 10 1.090 110.558 59.60 0.0000
16 H62 H1 E 14 12 10 1.091 110.262 -60.18 0.0000
17 O6 Os E 14 12 10 1.439 109.850 179.68 -0.4550
18 O5 Os E 12 10 8 1.498 110.843 50.51 -0.3930
19 O4 Os E 10 8 6 1.452 109.624 -176.73 -0.4970
20 O3 Os E 8 6 4 1.457 110.746 -174.70 -0.4560
21 O2 Os M 6 4 3 1.459 109.767 -99.50 -0.4270
LOOP
O5 C1
DONE
PnA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Os E 9 7 6 1.434 109.011 -63.74 -0.4610
13 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
14 H4 H1 E 13 7 6 1.091 108.424 -67.01 0.0000
15 O4 Os E 13 7 6 1.439 109.651 175.64 -0.4830
16 C3 Cg M 13 7 6 1.543 113.659 53.11 0.3300
17 H3 H1 E 16 13 7 1.091 110.022 -173.93 0.0000
18 O3 Os E 16 13 7 1.445 109.798 66.31 -0.4670
19 C2 Cg M 16 13 7 1.541 108.602 -53.52 0.2280
20 H2 H1 E 19 16 13 1.091 106.837 -65.32 0.0000
21 O2 Os M 19 16 13 1.439 110.703 179.06 -0.4470
LOOP
C2 C1
DONE
PnB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 C3 Cg 3 6 4 3 1.544 110.844 141.66 0.2340
9 H3 H1 E 8 6 4 1.092 109.398 175.17 0.0000
10 C4 Cg 3 8 6 4 1.546 109.920 54.68 0.2860
11 H4 H1 E 10 8 6 1.091 108.699 62.12 0.0000
12 C5 Cg 3 10 8 6 1.547 111.303 -57.50 0.1980
13 H5 H1 E 12 10 8 1.091 109.233 -61.92 0.0000
14 C6 Cg 3 12 10 8 1.541 112.741 177.70 0.3130
15 H61 H1 E 14 12 10 1.090 110.689 61.33 0.0000
16 H62 H1 E 14 12 10 1.090 110.338 -58.85 0.0000
17 O6 Os E 14 12 10 1.438 109.178 -178.76 -0.4650
18 O5 Os E 12 10 8 1.500 108.536 56.16 -0.5070
19 O4 Os E 10 8 6 1.447 109.608 179.74 -0.4710
20 O3 Os E 8 6 4 1.458 109.599 -65.98 -0.4200
21 O2 Os M 6 4 3 1.458 111.714 19.64 -0.4730
LOOP
O5 C1
DONE
PtA INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Os E 9 7 6 1.434 108.863 -64.48 -0.4620
13 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
14 H4 H1 E 13 7 6 1.091 109.540 173.93 0.0000
15 O4 Os E 13 7 6 1.443 109.067 -67.36 -0.5080
16 C3 Cg M 13 7 6 1.543 109.739 53.52 0.1240
17 H3 H1 E 16 13 7 1.091 106.734 65.74 0.0000
18 O3 Os E 16 13 7 1.439 110.707 -178.75 -0.4390
19 C2 Cg M 16 13 7 1.545 114.910 -52.34 0.2450
20 H2 H1 E 19 16 13 1.091 109.723 171.12 0.0000
21 O2 Os M 19 16 13 1.440 110.347 -69.94 -0.4130
LOOP
C2 C1
DONE
PtB INT 0
CORRECT OMIT DU BEG
-0.5820
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 C3 Cg 3 6 4 3 1.545 108.990 139.13 0.1740
9 H3 H1 E 8 6 4 1.091 106.777 -66.52 0.0000
10 C4 Cg 3 8 6 4 1.547 114.890 51.64 0.3140
11 H4 H1 E 10 8 6 1.091 109.570 -171.49 0.0000
12 C5 Cg 3 10 8 6 1.547 110.218 -50.96 0.0310
13 H5 H1 E 12 10 8 1.092 107.394 -65.47 0.0000
14 C6 Cg 3 12 10 8 1.535 115.137 174.64 0.3490
15 H61 H1 E 14 12 10 1.090 110.278 53.24 0.0000
16 H62 H1 E 14 12 10 1.091 110.886 -67.01 0.0000
17 O6 Os E 14 12 10 1.434 108.837 172.73 -0.4540
18 O5 Os E 12 10 8 1.487 109.426 51.66 -0.3540
19 O4 Os E 10 8 6 1.443 110.169 69.26 -0.4070
20 O3 Os E 8 6 4 1.439 110.677 177.92 -0.4470
21 O2 Os M 6 4 3 1.444 109.193 -100.97 -0.4340
LOOP
O5 C1
DONE
QBD INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410
5 C1 Cg 3 4 3 2 1.546 4.633 -120.67 0.3130
6 H12 H1 E 5 4 3 1.090 110.325 114.28 0.0000
7 H11 H1 E 5 4 3 1.091 109.856 -126.60 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -6.24 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 -163.85 0.4140
10 C3 Cg M 4 3 2 1.641 111.508 16.65 0.4400
11 H3 H1 E 10 4 3 1.090 108.442 20.90 0.0000
12 C4 Cg 3 10 4 3 1.636 106.644 136.55 0.2250
13 H4 H1 E 12 10 4 1.091 108.604 98.33 0.0000
14 C5 Cg 3 12 10 4 1.626 107.413 -17.56 0.2710
15 H5 H1 E 14 12 10 1.091 108.621 126.81 0.0000
16 C6 Cg 3 14 12 10 1.543 115.360 -109.99 0.2810
17 H62 H1 E 16 14 12 1.091 109.980 67.38 0.0000
18 H61 H1 E 16 14 12 1.090 110.249 -51.87 0.0000
19 O6 Os E 16 14 12 1.443 110.886 -171.63 -0.4620
20 O5 Os E 14 12 10 1.587 104.732 10.45 -0.4520
21 O4 Os E 12 10 4 1.457 112.032 -142.43 -0.4690
22 O3 Os M 10 4 3 1.453 115.892 -99.73 -0.5220
LOOP
O5 C2
DONE
QBU INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470
5 C1 Cg 3 4 3 2 1.553 52.999 -106.31 0.2990
6 H12 H1 E 5 4 3 1.091 110.361 37.48 0.0000
7 H11 H1 E 5 4 3 1.091 109.538 156.30 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 -83.60 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 -172.60 0.3820
10 O5 Os M 4 3 2 1.568 142.358 -178.86 -0.3850
11 C5 Cg M 10 4 3 1.582 113.720 173.86 0.2100
12 H5 H1 E 11 10 4 1.091 108.799 -121.64 0.0000
13 C6 Cg 3 11 10 4 1.541 109.962 118.91 0.3320
14 H62 H1 E 13 11 10 1.090 110.302 -58.44 0.0000
15 H61 H1 E 13 11 10 1.090 109.861 -177.80 0.0000
16 O6 Os E 13 11 10 1.442 110.695 62.46 -0.4860
17 C4 Cg M 11 10 4 1.624 104.801 -5.21 0.2830
18 H4 H1 E 17 11 10 1.091 107.561 -105.82 0.0000
19 O4 Os E 17 11 10 1.453 112.691 135.08 -0.5150
20 C3 Cg M 17 11 10 1.637 107.577 11.31 0.3820
21 H3 H1 E 20 17 11 1.091 108.163 103.95 0.0000
22 O3 Os M 20 17 11 1.455 110.878 -138.10 -0.5100
LOOP
C3 C2
DONE
QCD INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840
5 C1 Cg 3 4 3 2 1.556 9.626 -136.04 0.3700
6 H12 H1 E 5 4 3 1.091 109.651 88.60 0.0000
7 H11 H1 E 5 4 3 1.091 110.210 -152.55 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -31.57 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 49.38 0.4140
10 C3 Cg M 4 3 2 1.638 108.658 19.86 0.2820
11 H3 H1 E 10 4 3 1.091 111.006 -104.35 0.0000
12 C4 Cg 3 10 4 3 1.638 106.495 134.41 0.3320
13 H4 H1 E 12 10 4 1.091 111.116 -136.07 0.0000
14 C5 Cg 3 12 10 4 1.621 107.987 -13.87 0.3090
15 H5 H1 E 14 12 10 1.092 110.544 126.66 0.0000
16 C6 Cg 3 14 12 10 1.538 111.506 -110.78 0.2650
17 H62 H1 E 16 14 12 1.091 109.952 69.16 0.0000
18 H61 H1 E 16 14 12 1.090 109.956 -49.70 0.0000
19 O6 Os E 16 14 12 1.442 111.246 -169.72 -0.4460
20 O5 Os E 14 12 10 1.584 104.926 8.85 -0.4980
21 O4 Os E 12 10 4 1.453 108.919 105.00 -0.5340
22 O3 Os M 10 4 3 1.460 111.917 16.34 -0.4780
LOOP
O5 C2
DONE
QCU INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390
5 C1 Cg 3 4 3 2 1.537 69.500 -144.67 0.2870
6 H12 H1 E 5 4 3 1.091 110.638 29.87 0.0000
7 H11 H1 E 5 4 3 1.091 109.952 149.16 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 -91.14 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 -179.97 0.4010
10 O5 Os M 4 3 2 1.575 147.962 122.92 -0.4490
11 C5 Cg M 10 4 3 1.577 112.749 -165.42 0.3100
12 H5 H1 E 11 10 4 1.092 109.362 -121.32 0.0000
13 C6 Cg 3 11 10 4 1.529 108.415 119.08 0.2720
14 H62 H1 E 13 11 10 1.091 110.618 -56.09 0.0000
15 H61 H1 E 13 11 10 1.090 110.315 -176.31 0.0000
16 O6 Os E 13 11 10 1.433 108.667 64.08 -0.4490
17 C4 Cg M 11 10 4 1.622 105.503 -1.90 0.2930
18 H4 H1 E 17 11 10 1.092 112.170 133.69 0.0000
19 O4 Os E 17 11 10 1.434 107.738 -106.47 -0.5260
20 C3 Cg M 17 11 10 1.624 107.882 8.77 0.3330
21 H3 H1 E 20 17 11 1.091 112.343 -135.61 0.0000
22 O3 Os M 20 17 11 1.439 105.085 106.18 -0.4750
LOOP
C3 C2
DONE
QEA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 O2 Oh S 6 4 3 1.437 106.903 53.10 -0.6900
9 H2O Ho E 8 6 4 0.960 109.486 -57.88 0.4470
10 C3 Cg M 6 4 3 1.541 114.896 172.06 0.3280
11 H3 H1 E 10 6 4 1.091 110.106 -167.45 0.0000
12 C4 Cg 3 10 6 4 1.544 111.809 -45.05 0.2610
13 H4 H1 E 12 10 6 1.091 108.188 -68.68 0.0000
14 C5 Cg 3 12 10 6 1.541 113.133 51.50 0.3740
15 H5 H1 E 14 12 10 1.092 109.237 63.30 0.0000
16 C6 Cg 3 14 12 10 1.535 114.012 -174.39 0.2590
17 H62 H1 E 16 14 12 1.090 110.525 -56.55 0.0000
18 H61 H1 E 16 14 12 1.091 110.727 63.66 0.0000
19 O6 Os E 16 14 12 1.434 108.916 -175.95 -0.4510
20 O5 Os E 14 12 10 1.485 107.816 -54.81 -0.5870
21 O4 Os E 12 10 6 1.439 109.304 174.29 -0.5000
22 O3 Os M 10 6 4 1.442 106.866 75.38 -0.4880
LOOP
O5 C1
DONE
QEB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Os E 9 7 6 1.439 109.977 57.72 -0.4630
13 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
14 H4 H1 E 13 7 6 1.091 108.584 66.50 0.0000
15 O4 Os E 13 7 6 1.457 110.564 -175.67 -0.4980
16 C3 Cg M 13 7 6 1.554 111.196 -53.07 0.3150
17 H3 H1 E 16 13 7 1.091 109.198 176.72 0.0000
18 C2 Cg B 16 13 7 1.540 111.264 55.77 0.1840
19 H2 H1 E 18 16 13 1.091 109.856 -175.33 0.0000
20 O2 Oh S 18 16 13 1.463 107.825 66.95 -0.6970
21 H2O Ho E 20 18 16 0.966 108.305 -175.24 0.4320
22 O3 Os M 16 13 7 1.454 110.601 -64.53 -0.4720
LOOP
C2 C1
DONE
QGA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 O2 Oh S 6 4 3 1.465 111.499 -41.43 -0.7130
9 H2O Ho E 8 6 4 0.967 109.170 -40.31 0.4370
10 C3 Cg M 6 4 3 1.543 111.424 -164.87 0.2860
11 H3 H1 E 10 6 4 1.092 109.239 69.49 0.0000
12 C4 Cg 3 10 6 4 1.547 112.114 -52.22 0.2540
13 H4 H1 E 12 10 6 1.092 109.454 -66.45 0.0000
14 C5 Cg 3 12 10 6 1.543 111.254 54.50 0.2830
15 H5 H1 E 14 12 10 1.092 108.261 65.38 0.0000
16 C6 Cg 3 14 12 10 1.546 112.538 -174.79 0.2760
17 H62 H1 E 16 14 12 1.090 110.682 -45.93 0.0000
18 H61 H1 E 16 14 12 1.091 110.014 73.31 0.0000
19 O6 Os E 16 14 12 1.444 110.823 -165.78 -0.4580
20 O5 Os E 14 12 10 1.500 109.539 -52.54 -0.5740
21 O4 Os E 12 10 6 1.451 108.956 174.69 -0.4680
22 O3 Os M 10 6 4 1.452 108.531 -172.18 -0.4660
LOOP
O5 C1
DONE
QGB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Os E 9 7 6 1.440 109.810 57.27 -0.4580
13 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
14 H4 H1 E 13 7 6 1.092 109.352 66.92 0.0000
15 O4 Os E 13 7 6 1.448 108.899 -174.36 -0.4680
16 C3 Cg M 13 7 6 1.548 111.306 -54.04 0.2840
17 H3 H1 E 16 13 7 1.092 109.104 -67.30 0.0000
18 C2 Cg B 16 13 7 1.545 112.113 53.55 0.3100
19 H2 H1 E 18 16 13 1.092 109.394 68.33 0.0000
20 O2 Oh S 18 16 13 1.458 108.975 -172.91 -0.7180
21 H2O Ho E 20 18 16 0.966 108.053 175.61 0.4370
22 O3 Os M 16 13 7 1.454 108.817 174.47 -0.4710
LOOP
C2 C1
DONE
QJD INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920
5 C1 Cg 3 4 3 2 1.554 10.224 -140.48 0.3890
6 H12 H1 E 5 4 3 1.091 109.769 84.88 0.0000
7 H11 H1 E 5 4 3 1.091 110.219 -156.13 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -35.41 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 50.29 0.3800
10 C3 Cg M 4 3 2 1.637 108.016 16.20 0.3930
11 H3 H1 E 10 4 3 1.091 112.376 -99.86 0.0000
12 C4 Cg 3 10 4 3 1.642 105.965 138.66 0.2330
13 H4 H1 E 12 10 4 1.090 107.367 95.04 0.0000
14 C5 Cg 3 12 10 4 1.625 107.375 -19.81 0.1900
15 H5 H1 E 14 12 10 1.091 108.940 130.16 0.0000
16 C6 Cg 3 14 12 10 1.542 114.908 -106.54 0.3400
17 H62 H1 E 16 14 12 1.090 110.250 66.65 0.0000
18 H61 H1 E 16 14 12 1.090 110.186 -52.85 0.0000
19 O6 Os E 16 14 12 1.441 110.517 -172.30 -0.4940
20 O5 Os E 14 12 10 1.585 104.597 13.44 -0.4100
21 O4 Os E 12 10 4 1.458 113.311 -146.22 -0.4510
22 O3 Os M 10 4 3 1.455 110.333 22.08 -0.4960
LOOP
O5 C2
DONE
QJU INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510
5 C1 Cg 3 4 3 2 1.554 50.342 -105.76 0.3330
6 H12 H1 E 5 4 3 1.090 110.121 39.98 0.0000
7 H11 H1 E 5 4 3 1.090 109.574 158.57 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 -81.07 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 -173.81 0.4150
10 O5 Os M 4 3 2 1.569 141.794 -176.42 -0.3890
11 C5 Cg M 10 4 3 1.585 113.364 166.72 0.1000
12 H5 H1 E 11 10 4 1.089 109.200 -122.53 0.0000
13 C6 Cg 3 11 10 4 1.537 108.498 118.12 0.3490
14 H62 H1 E 13 11 10 1.089 110.316 -54.99 0.0000
15 H61 H1 E 13 11 10 1.090 111.054 -175.70 0.0000
16 O6 Os E 13 11 10 1.435 108.026 64.54 -0.4670
17 C4 Cg M 11 10 4 1.619 104.895 -5.59 0.2840
18 H4 H1 E 17 11 10 1.091 107.554 -103.32 0.0000
19 O4 Os E 17 11 10 1.442 113.035 137.27 -0.4410
20 C3 Cg M 17 11 10 1.639 107.844 12.75 0.2230
21 H3 H1 E 20 17 11 1.090 110.597 -136.61 0.0000
22 O3 Os M 20 17 11 1.460 109.186 103.85 -0.4490
LOOP
C3 C2
DONE
QKA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 O2 Oh S 6 4 3 1.439 110.808 -54.40 -0.7160
9 H2O Ho E 8 6 4 0.960 109.409 -63.57 0.4270
10 C3 Cg M 6 4 3 1.544 115.219 178.76 0.3540
11 H3 H1 E 10 6 4 1.091 109.846 -171.16 0.0000
12 C4 Cg 3 10 6 4 1.541 111.196 -48.97 0.1960
13 H4 H1 E 12 10 6 1.091 109.723 170.85 0.0000
14 C5 Cg 3 12 10 6 1.549 113.058 48.50 0.3010
15 H5 H1 E 14 12 10 1.092 107.347 66.38 0.0000
16 C6 Cg 3 14 12 10 1.535 114.885 -173.99 0.2870
17 H62 H1 E 16 14 12 1.090 110.246 -52.70 0.0000
18 H61 H1 E 16 14 12 1.091 110.887 67.51 0.0000
19 O6 Os E 16 14 12 1.434 108.908 -172.15 -0.4630
20 O5 Os E 14 12 10 1.489 109.902 -50.90 -0.5400
21 O4 Os E 12 10 6 1.440 107.338 -72.13 -0.4860
22 O3 Os M 10 6 4 1.440 110.218 69.79 -0.5020
LOOP
O5 C1
DONE
QKB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Os E 9 7 6 1.441 110.162 62.18 -0.4480
13 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
14 H4 H1 E 13 7 6 1.091 108.867 -172.31 0.0000
15 O4 Os E 13 7 6 1.455 110.952 69.39 -0.4690
16 C3 Cg M 13 7 6 1.545 111.117 -51.77 0.2530
17 H3 H1 E 16 13 7 1.091 109.391 173.95 0.0000
18 C2 Cg B 16 13 7 1.547 111.988 52.75 0.3080
19 H2 H1 E 18 16 13 1.091 108.509 65.85 0.0000
20 O2 Oh S 18 16 13 1.462 109.337 -176.76 -0.7100
21 H2O Ho E 20 18 16 0.965 108.091 178.76 0.4260
22 O3 Os M 16 13 7 1.452 107.992 -68.85 -0.4620
LOOP
C2 C1
DONE
QLA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 O2 Oh S 6 4 3 1.440 109.403 -55.56 -0.7240
9 H2O Ho E 8 6 4 0.960 109.415 -61.40 0.4310
10 C3 Cg M 6 4 3 1.541 112.432 -178.15 0.2530
11 H3 H1 E 10 6 4 1.091 109.206 67.02 0.0000
12 C4 Cg 3 10 6 4 1.544 111.714 -53.08 0.2040
13 H4 H1 E 12 10 6 1.091 109.766 175.51 0.0000
14 C5 Cg 3 12 10 6 1.544 110.422 54.48 0.2160
15 H5 H1 E 14 12 10 1.092 107.514 62.91 0.0000
16 C6 Cg 3 14 12 10 1.535 114.934 -177.18 0.3080
17 H62 H1 E 16 14 12 1.090 110.251 -53.15 0.0000
18 H61 H1 E 16 14 12 1.091 110.918 67.08 0.0000
19 O6 Os E 16 14 12 1.434 108.858 -172.60 -0.4600
20 O5 Os E 14 12 10 1.490 109.289 -54.45 -0.5270
21 O4 Os E 12 10 6 1.445 109.785 -64.95 -0.4310
22 O3 Os M 10 6 4 1.440 110.035 -174.48 -0.4620
LOOP
O5 C1
DONE
QLB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Os E 9 7 6 1.437 109.027 63.12 -0.4680
13 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
14 H4 H1 E 13 7 6 1.091 109.333 -173.92 0.0000
15 O4 Os E 13 7 6 1.449 109.628 67.34 -0.4210
16 C3 Cg M 13 7 6 1.546 110.517 -53.62 0.2590
17 H3 H1 E 16 13 7 1.092 108.098 -64.81 0.0000
18 C2 Cg B 16 13 7 1.547 112.254 55.04 0.3570
19 H2 H1 E 18 16 13 1.092 109.716 67.43 0.0000
20 O2 Oh S 18 16 13 1.459 108.705 -173.71 -0.7260
21 H2O Ho E 20 18 16 0.965 107.724 175.67 0.4320
22 O3 Os M 16 13 7 1.455 109.126 178.29 -0.4550
LOOP
C2 C1
DONE
QMA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 O2 Oh S 6 4 3 1.459 110.007 79.71 -0.7170
9 H2O Ho E 8 6 4 0.965 108.621 167.29 0.4460
10 C3 Cg M 6 4 3 1.545 110.571 -158.93 0.2520
11 H3 H1 E 10 6 4 1.092 108.528 64.93 0.0000
12 C4 Cg 3 10 6 4 1.549 111.609 -54.79 0.3260
13 H4 H1 E 12 10 6 1.091 109.865 -64.38 0.0000
14 C5 Cg 3 12 10 6 1.546 110.605 57.15 0.2760
15 H5 H1 E 14 12 10 1.092 108.214 65.71 0.0000
16 C6 Cg 3 14 12 10 1.544 112.153 -174.59 0.2660
17 H62 H1 E 16 14 12 1.090 110.579 -46.84 0.0000
18 H61 H1 E 16 14 12 1.091 110.051 72.33 0.0000
19 O6 Os E 16 14 12 1.444 110.952 -166.67 -0.4600
20 O5 Os E 14 12 10 1.497 110.394 -52.31 -0.5070
21 O4 Os E 12 10 6 1.452 108.734 176.59 -0.4890
22 O3 Os M 10 6 4 1.461 109.595 -177.93 -0.4590
LOOP
O5 C1
DONE
QMB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Os E 9 7 6 1.439 109.850 57.44 -0.4550
13 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
14 H4 H1 E 13 7 6 1.091 109.789 70.94 0.0000
15 O4 Os E 13 7 6 1.452 108.352 -170.58 -0.4970
16 C3 Cg M 13 7 6 1.553 110.419 -50.51 0.2630
17 H3 H1 E 16 13 7 1.092 108.588 -60.79 0.0000
18 C2 Cg B 16 13 7 1.547 110.623 57.43 0.2410
19 H2 H1 E 18 16 13 1.091 110.076 180.00 0.0000
20 O2 Oh S 18 16 13 1.459 110.769 59.28 -0.6640
21 H2O Ho E 20 18 16 0.964 107.524 -173.81 0.4310
22 O3 Os M 16 13 7 1.457 111.995 -178.50 -0.4560
LOOP
C2 C1
DONE
QNA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 O2 Oh S 6 4 3 1.439 110.664 -54.19 -0.6680
9 H2O Ho E 8 6 4 0.960 109.386 -64.68 0.4150
10 C3 Cg M 6 4 3 1.541 114.996 179.46 0.3300
11 H3 H1 E 10 6 4 1.091 109.966 -173.17 0.0000
12 C4 Cg 3 10 6 4 1.543 108.602 -52.73 0.1670
13 H4 H1 E 12 10 6 1.091 108.011 -66.83 0.0000
14 C5 Cg 3 12 10 6 1.545 113.659 53.52 0.4040
15 H5 H1 E 14 12 10 1.092 109.059 65.09 0.0000
16 C6 Cg 3 14 12 10 1.535 113.747 -172.97 0.2800
17 H62 H1 E 16 14 12 1.090 110.540 -56.41 0.0000
18 H61 H1 E 16 14 12 1.091 110.668 63.75 0.0000
19 O6 Os E 16 14 12 1.434 109.011 -175.88 -0.4610
20 O5 Os E 14 12 10 1.489 108.589 -53.11 -0.6110
21 O4 Os E 12 10 6 1.439 109.206 176.30 -0.4830
22 O3 Os M 10 6 4 1.445 109.604 67.22 -0.4670
LOOP
O5 C1
DONE
QNB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Os E 9 7 6 1.438 109.178 57.79 -0.4650
13 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
14 H4 H1 E 13 7 6 1.091 108.641 63.49 0.0000
15 O4 Os E 13 7 6 1.447 110.674 -178.31 -0.4710
16 C3 Cg M 13 7 6 1.546 111.303 -56.16 0.2340
17 H3 H1 E 16 13 7 1.092 109.685 177.82 0.0000
18 C2 Cg B 16 13 7 1.544 109.920 57.50 0.3010
19 H2 H1 E 18 16 13 1.093 108.226 64.66 0.0000
20 O2 Oh S 18 16 13 1.458 109.185 -178.16 -0.7030
21 H2O Ho E 20 18 16 0.966 108.382 -178.62 0.4240
22 O3 Os M 16 13 7 1.458 109.719 -63.09 -0.4200
LOOP
C2 C1
DONE
QPD INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240
5 C1 Cg 3 4 3 2 1.533 28.030 -160.44 0.2860
6 H12 H1 E 5 4 3 1.091 110.436 100.46 0.0000
7 H11 H1 E 5 4 3 1.091 110.553 -139.51 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 -19.62 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 179.30 0.4190
10 C3 Cg M 4 3 2 1.632 94.644 -17.33 0.3340
11 H3 H1 E 10 4 3 1.090 107.716 7.04 0.0000
12 C4 Cg 3 10 4 3 1.629 107.129 121.35 0.2820
13 H4 H1 E 12 10 4 1.091 111.828 -141.87 0.0000
14 C5 Cg 3 12 10 4 1.626 106.867 -18.01 0.1940
15 H5 H1 E 14 12 10 1.092 111.109 129.12 0.0000
16 C6 Cg 3 14 12 10 1.529 112.801 -107.47 0.2910
17 H62 H1 E 16 14 12 1.091 110.695 60.83 0.0000
18 H61 H1 E 16 14 12 1.090 110.281 -59.44 0.0000
19 O6 Os E 16 14 12 1.433 108.604 -178.96 -0.4780
20 O5 Os E 14 12 10 1.580 105.532 10.85 -0.4530
21 O4 Os E 12 10 4 1.437 109.593 96.29 -0.4560
22 O3 Os M 10 4 3 1.441 114.290 -111.78 -0.4400
LOOP
O5 C2
DONE
QPU INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880
5 C1 Cg 3 4 3 2 1.541 66.606 -151.42 0.3650
6 H12 H1 E 5 4 3 1.091 110.660 23.30 0.0000
7 H11 H1 E 5 4 3 1.090 109.918 142.71 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 -97.59 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 179.45 0.4180
10 O5 Os M 4 3 2 1.576 153.289 123.56 -0.4800
11 C5 Cg M 10 4 3 1.576 112.884 -156.65 0.3690
12 H5 H1 E 11 10 4 1.092 109.275 -128.49 0.0000
13 C6 Cg 3 11 10 4 1.529 108.414 112.31 0.2150
14 H62 H1 E 13 11 10 1.091 110.659 -56.54 0.0000
15 H61 H1 E 13 11 10 1.090 110.301 -176.80 0.0000
16 O6 Os E 13 11 10 1.433 108.649 63.62 -0.4510
17 C4 Cg M 11 10 4 1.623 105.494 -8.76 0.1920
18 H4 H1 E 17 11 10 1.091 112.074 133.66 0.0000
19 O4 Os E 17 11 10 1.438 106.122 -107.17 -0.4670
20 C3 Cg M 17 11 10 1.631 107.338 11.41 0.3340
21 H3 H1 E 20 17 11 1.091 107.070 107.51 0.0000
22 O3 Os M 20 17 11 1.441 112.809 -134.73 -0.4840
LOOP
C3 C2
DONE
QTA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 O2 Oh S 6 4 3 1.440 106.453 57.61 -0.6550
9 H2O Ho E 8 6 4 0.960 109.490 -58.28 0.4360
10 C3 Cg M 6 4 3 1.545 112.024 178.31 0.1240
11 H3 H1 E 10 6 4 1.091 106.708 69.61 0.0000
12 C4 Cg 3 10 6 4 1.543 114.910 -48.48 0.4340
13 H4 H1 E 12 10 6 1.091 109.633 172.69 0.0000
14 C5 Cg 3 12 10 6 1.544 109.739 52.34 0.1570
15 H5 H1 E 14 12 10 1.092 107.463 63.77 0.0000
16 C6 Cg 3 14 12 10 1.535 114.896 -176.35 0.3040
17 H62 H1 E 16 14 12 1.090 110.263 -52.86 0.0000
18 H61 H1 E 16 14 12 1.091 110.896 67.37 0.0000
19 O6 Os E 16 14 12 1.434 108.863 -172.31 -0.4620
20 O5 Os E 14 12 10 1.488 109.541 -53.52 -0.4800
21 O4 Os E 12 10 6 1.443 110.261 -67.82 -0.5080
22 O3 Os M 10 6 4 1.439 110.774 -174.86 -0.4390
LOOP
O5 C1
DONE
QTB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Os E 9 7 6 1.434 108.837 64.00 -0.4540
13 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
14 H4 H1 E 13 7 6 1.091 109.475 -172.25 0.0000
15 O4 Os E 13 7 6 1.443 108.917 69.31 -0.4070
16 C3 Cg M 13 7 6 1.547 110.218 -51.66 0.1740
17 H3 H1 E 16 13 7 1.091 106.762 -67.21 0.0000
18 C2 Cg B 16 13 7 1.545 114.890 50.96 0.3400
19 H2 H1 E 18 16 13 1.091 109.957 -172.30 0.0000
20 O2 Oh S 18 16 13 1.444 109.766 67.90 -0.6370
21 H2O Ho E 20 18 16 0.960 109.413 -178.32 0.3970
22 O3 Os M 16 13 7 1.439 110.707 177.22 -0.4470
LOOP
C2 C1
DONE
QVA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.481 98.684 -135.89 0.3890
5 H1 H2 E 4 3 2 1.090 143.995 158.32 0.0000
6 C2 Cg M 4 3 2 1.564 98.936 18.14 0.3990
7 H2 H1 E 6 4 3 1.092 107.476 -151.91 0.0000
8 N2 Ng B 6 4 3 1.483 111.776 89.86 -0.5950
9 H2N H E 8 6 4 1.007 117.335 -84.05 0.2380
10 C2N C B 8 6 4 1.336 122.570 82.01 0.6250
11 CME Cg 3 10 8 6 1.541 116.317 -175.68 0.0320
12 H3M Hc E 11 10 8 1.091 110.069 50.52 0.0000
13 H2M Hc E 11 10 8 1.091 110.181 170.34 0.0000
14 H1M Hc E 11 10 8 1.091 109.644 -69.76 0.0000
15 O2N O E 10 8 6 1.227 121.897 4.65 -0.6050
16 C3 Cg M 6 4 3 1.551 110.856 -34.26 0.1760
17 H3 H1 E 16 6 4 1.091 108.463 65.04 0.0000
18 C4 Cg 3 16 6 4 1.547 111.657 -53.80 0.3260
19 H4 H1 E 18 16 6 1.091 109.161 175.84 0.0000
20 C5 Cg 3 18 16 6 1.548 111.081 55.51 0.1120
21 H5 H1 E 20 18 16 1.091 106.814 64.45 0.0000
22 C6 Cg 3 20 18 16 1.543 114.704 -178.15 0.3620
23 H62 H1 E 22 20 18 1.090 110.167 -176.18 0.0000
24 H61 H1 E 22 20 18 1.090 109.608 -57.43 0.0000
25 O6 Os E 22 20 18 1.435 111.052 62.92 -0.4810
26 O5 Os E 20 18 16 1.497 110.914 -51.89 -0.4660
27 O4 Os E 18 16 6 1.450 108.917 -66.09 -0.4530
28 O3 Os M 16 6 4 1.462 112.217 -176.56 -0.4470
LOOP
O5 C1
DONE
QVB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.423 98.572 -136.34 0.3050
5 H1 H2 E 4 3 2 1.091 71.466 -92.28 0.0000
6 O5 Os M 4 3 2 1.472 131.894 169.48 -0.4080
7 C5 Cg M 6 4 3 1.495 116.111 147.03 0.1360
8 H5 H1 E 7 6 4 1.092 107.966 -63.70 0.0000
9 C6 Cg 3 7 6 4 1.539 109.857 178.62 0.3530
10 H62 H1 E 9 7 6 1.090 110.929 -56.55 0.0000
11 H61 H1 E 9 7 6 1.091 110.331 -176.87 0.0000
12 O6 Os E 9 7 6 1.436 108.896 63.69 -0.4810
13 C4 Cg M 7 6 4 1.544 110.300 53.58 0.2530
14 H4 H1 E 13 7 6 1.091 109.265 -173.55 0.0000
15 O4 Os E 13 7 6 1.445 109.653 67.69 -0.4440
16 C3 Cg M 13 7 6 1.544 111.265 -52.85 0.1520
17 H3 H1 E 16 13 7 1.092 108.104 -62.30 0.0000
18 C2 Cg B 16 13 7 1.558 111.369 56.32 0.5440
19 H2 H1 E 18 16 13 1.091 108.714 61.92 0.0000
20 N2 Ng B 18 16 13 1.481 110.595 -177.69 -0.6860
21 H2N H E 20 18 16 1.005 118.080 75.06 0.2540
22 C2N C B 20 18 16 1.336 122.747 -106.72 0.5860
23 O2N O E 22 20 18 1.227 122.402 0.23 -0.5640
24 CME Cg 3 22 20 18 1.543 116.272 179.61 0.0560
25 H3M Hc E 24 22 20 1.092 110.645 35.56 0.0000
26 H2M Hc E 24 22 20 1.091 109.982 155.53 0.0000
27 H1M Hc E 24 22 20 1.091 109.419 -84.79 0.0000
28 O3 Os M 16 13 7 1.462 108.677 -178.29 -0.4440
LOOP
C2 C1
DONE
QWA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.550 -135.71 0.4621
5 H1 H2 E 4 3 2 1.090 140.848 159.80 0.0000
6 C2 Cg M 4 3 2 1.554 101.409 17.32 0.2750
7 H2 H1 E 6 4 3 1.092 108.155 87.79 0.0000
8 N2 Ng B 6 4 3 1.482 111.229 -154.80 -0.4751
9 H2N H E 8 6 4 1.007 117.562 110.34 0.2142
10 C2N C B 8 6 4 1.336 123.787 -73.97 0.5909
11 CME Cg 3 10 8 6 1.539 115.681 -177.62 -0.0340
12 H3M Hc E 11 10 8 1.091 109.810 -60.19 0.0000
13 H2M Hc E 11 10 8 1.091 110.252 179.93 0.0000
14 H1M Hc E 11 10 8 1.091 109.868 60.00 0.0000
15 O2N O E 10 8 6 1.229 122.265 3.32 -0.5757
16 C3 Cg M 6 4 3 1.549 109.899 -30.46 0.2520
17 H3 H1 E 16 6 4 1.091 108.295 65.94 0.0000
18 C4 Cg 3 16 6 4 1.550 112.400 -53.90 0.3213
19 H4 H1 E 18 16 6 1.091 108.333 -69.37 0.0000
20 C5 Cg 3 18 16 6 1.547 112.664 51.61 0.2421
21 H5 H1 E 20 18 16 1.092 107.873 70.23 0.0000
22 C6 Cg 3 20 18 16 1.545 113.564 -171.33 0.2995
23 H62 H1 E 22 20 18 1.090 109.575 173.73 0.0000
24 H61 H1 E 22 20 18 1.090 109.924 -68.06 0.0000
25 O6 Os E 22 20 18 1.443 112.033 52.74 -0.4599
26 O5 Os E 20 18 16 1.495 111.317 -46.63 -0.5415
27 O4 Os E 18 16 6 1.458 109.485 172.59 -0.4821
28 O3 Os M 16 6 4 1.455 110.348 -176.42 -0.4768
LOOP
O5 C1
DONE
QWB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.516 98.511 -136.43 0.3870
5 H1 H2 E 4 3 2 1.091 72.898 -90.19 0.0000
6 O5 Os M 4 3 2 1.464 129.676 168.95 -0.4980
7 C5 Cg M 6 4 3 1.498 114.507 143.60 0.3210
8 H5 H1 E 7 6 4 1.092 108.050 -62.29 0.0000
9 C6 Cg 3 7 6 4 1.542 108.838 -179.98 0.2470
10 H62 H1 E 9 7 6 1.091 110.098 -62.68 0.0000
11 H61 H1 E 9 7 6 1.090 110.437 177.81 0.0000
12 O6 Os E 9 7 6 1.442 110.379 57.48 -0.4440
13 C4 Cg M 7 6 4 1.549 109.860 56.38 0.2770
14 H4 H1 E 13 7 6 1.092 109.334 70.38 0.0000
15 O4 Os E 13 7 6 1.447 108.932 -170.99 -0.4980
16 C3 Cg M 13 7 6 1.551 111.754 -50.66 0.2170
17 H3 H1 E 16 13 7 1.092 108.749 -66.35 0.0000
18 C2 Cg B 16 13 7 1.550 112.012 52.70 0.2940
19 H2 H1 E 18 16 13 1.092 107.937 -171.40 0.0000
20 N2 Ng B 18 16 13 1.485 111.811 69.61 -0.5580
21 H2N H E 20 18 16 1.007 117.378 -91.94 0.2650
22 C2N C B 20 18 16 1.337 123.528 90.12 0.5850
23 O2N O E 22 20 18 1.229 121.350 -4.57 -0.6000
24 CME Cg 3 22 20 18 1.544 116.722 177.13 0.0560
25 H3M Hc E 24 22 20 1.092 111.211 -15.23 0.0000
26 H2M Hc E 24 22 20 1.091 109.840 -135.47 0.0000
27 H1M Hc E 24 22 20 1.090 109.199 104.92 0.0000
28 O3 Os M 16 13 7 1.458 109.433 176.28 -0.4390
LOOP
C2 C1
DONE
QYA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.519 98.653 -135.65 0.4680
5 H1 H2 E 4 3 2 1.090 141.692 162.29 0.0000
6 C2 Cg M 4 3 2 1.558 103.961 13.89 0.2450
7 H2 H1 E 6 4 3 1.092 106.853 -149.41 0.0000
8 N2 Ng B 6 4 3 1.486 111.224 93.53 -0.5520
9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360
10 C2N C B 8 6 4 1.338 124.714 152.48 0.5880
11 CME Cg 3 10 8 6 1.544 117.110 -175.73 0.0630
12 H3M Hc E 11 10 8 1.092 111.363 2.06 0.0000
13 H2M Hc E 11 10 8 1.091 109.387 122.31 0.0000
14 H1M Hc E 11 10 8 1.090 109.379 -118.32 0.0000
15 O2N O E 10 8 6 1.228 121.379 4.88 -0.5790
16 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650
17 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000
18 C4 Cg 3 16 6 4 1.546 112.211 -50.71 0.3220
19 H4 H1 E 18 16 6 1.091 108.977 -70.26 0.0000
20 C5 Cg 3 18 16 6 1.544 112.523 51.74 0.2460
21 H5 H1 E 20 18 16 1.092 108.088 68.11 0.0000
22 C6 Cg 3 20 18 16 1.544 112.817 -173.43 0.3280
23 H62 H1 E 22 20 18 1.090 110.073 -62.63 0.0000
24 H61 H1 E 22 20 18 1.090 109.603 179.01 0.0000
25 O6 Os E 22 20 18 1.444 111.701 58.39 -0.4610
26 O5 Os E 20 18 16 1.500 111.305 -49.14 -0.5680
27 O4 Os E 18 16 6 1.448 107.905 171.55 -0.4780
28 O3 Os M 16 6 4 1.457 109.988 -171.07 -0.4110
LOOP
O5 C1
DONE
QYB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.493 98.498 -136.36 0.2870
5 H1 H2 E 4 3 2 1.091 71.450 -93.59 0.0000
6 O5 Os M 4 3 2 1.468 130.511 167.53 -0.4330
7 C5 Cg M 6 4 3 1.493 115.188 144.42 0.2080
8 H5 H1 E 7 6 4 1.092 108.293 -60.80 0.0000
9 C6 Cg 3 7 6 4 1.540 109.520 -179.10 0.2890
10 H62 H1 E 9 7 6 1.091 110.298 -62.00 0.0000
11 H61 H1 E 9 7 6 1.090 110.526 178.17 0.0000
12 O6 Os E 9 7 6 1.439 109.712 58.17 -0.4590
13 C4 Cg M 7 6 4 1.542 108.679 57.57 0.3020
14 H4 H1 E 13 7 6 1.092 109.552 66.23 0.0000
15 O4 Os E 13 7 6 1.444 108.611 -175.00 -0.4740
16 C3 Cg M 13 7 6 1.547 111.743 -55.34 0.1800
17 H3 H1 E 16 13 7 1.092 108.855 -63.61 0.0000
18 C2 Cg B 16 13 7 1.555 110.847 55.82 0.4800
19 H2 H1 E 18 16 13 1.092 108.016 63.51 0.0000
20 N2 Ng B 18 16 13 1.484 110.897 -176.40 -0.7220
21 H2N H E 20 18 16 1.006 117.592 78.54 0.3000
22 C2N C B 20 18 16 1.336 123.143 -111.93 0.6480
23 O2N O E 22 20 18 1.226 122.116 6.61 -0.5760
24 CME Cg 3 22 20 18 1.542 116.434 -175.43 0.0340
25 H3M Hc E 24 22 20 1.092 110.630 37.74 0.0000
26 H2M Hc E 24 22 20 1.091 110.076 157.79 0.0000
27 H1M Hc E 24 22 20 1.091 109.335 -82.58 0.0000
28 O3 Os M 16 13 7 1.462 108.350 179.31 -0.4520
LOOP
C2 C1
DONE
QbD INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410
5 C1 Cg 3 4 3 2 1.546 22.070 -155.25 0.3130
6 H11 H1 E 5 4 3 1.091 109.856 0.87 0.0000
7 H12 H1 E 5 4 3 1.090 110.325 119.99 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -119.49 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 163.85 0.4140
10 O5 Os M 4 3 2 1.565 96.957 71.60 -0.4520
11 C5 Cg M 10 4 3 1.587 113.494 153.37 0.2710
12 H5 H1 E 11 10 4 1.091 109.010 115.27 0.0000
13 C6 Cg 3 11 10 4 1.543 109.502 -125.08 0.2810
14 H61 H1 E 13 11 10 1.090 110.249 169.67 0.0000
15 H62 H1 E 13 11 10 1.091 109.980 50.42 0.0000
16 O6 Os E 13 11 10 1.443 110.886 -70.57 -0.4620
17 C4 Cg M 11 10 4 1.626 104.732 -0.82 0.2250
18 H4 H1 E 17 11 10 1.091 107.421 106.22 0.0000
19 O4 Os E 17 11 10 1.457 113.168 -134.63 -0.4690
20 C3 Cg M 17 11 10 1.636 107.413 -10.45 0.4400
21 H3 H1 E 20 17 11 1.090 107.628 -98.64 0.0000
22 O3 Os M 20 17 11 1.453 110.696 144.44 -0.5220
LOOP
C3 C2
DONE
QbU INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470
5 C1 Cg 3 4 3 2 1.553 43.383 -64.68 0.2990
6 H11 H1 E 5 4 3 1.091 109.538 173.60 0.0000
7 H12 H1 E 5 4 3 1.091 110.361 -67.58 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 53.50 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 172.60 0.3820
10 C3 Cg M 4 3 2 1.635 135.193 -142.32 0.3820
11 H3 H1 E 10 4 3 1.091 108.980 -85.98 0.0000
12 C4 Cg 3 10 4 3 1.637 107.249 157.15 0.2830
13 H4 H1 E 12 10 4 1.091 108.865 -102.82 0.0000
14 C5 Cg 3 12 10 4 1.624 107.577 13.45 0.2100
15 H5 H1 E 14 12 10 1.091 108.969 -127.62 0.0000
16 C6 Cg 3 14 12 10 1.541 114.994 109.54 0.3320
17 H61 H1 E 16 14 12 1.090 109.861 59.82 0.0000
18 H62 H1 E 16 14 12 1.090 110.302 -59.54 0.0000
19 O6 Os E 16 14 12 1.442 110.695 179.56 -0.4860
20 O5 Os E 14 12 10 1.582 104.801 -11.31 -0.3850
21 O4 Os E 12 10 4 1.453 111.864 137.73 -0.5150
22 O3 Os M 10 4 3 1.455 113.678 34.22 -0.5100
LOOP
O5 C2
DONE
QcD INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840
5 C1 Cg 3 4 3 2 1.556 17.540 -147.50 0.3700
6 H11 H1 E 5 4 3 1.091 110.210 18.90 0.0000
7 H12 H1 E 5 4 3 1.091 109.651 137.75 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -102.08 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 -49.38 0.4140
10 O5 Os M 4 3 2 1.564 97.899 67.10 -0.4980
11 C5 Cg M 10 4 3 1.584 113.350 147.62 0.3090
12 H5 H1 E 11 10 4 1.092 109.375 118.93 0.0000
13 C6 Cg 3 11 10 4 1.538 110.489 -119.98 0.2650
14 H61 H1 E 13 11 10 1.090 109.956 165.98 0.0000
15 H62 H1 E 13 11 10 1.091 109.952 47.12 0.0000
16 O6 Os E 13 11 10 1.442 111.246 -74.00 -0.4460
17 C4 Cg M 11 10 4 1.621 104.926 0.33 0.3320
18 H4 H1 E 17 11 10 1.091 111.196 -131.00 0.0000
19 O4 Os E 17 11 10 1.453 109.530 109.63 -0.5340
20 C3 Cg M 17 11 10 1.638 107.987 -8.85 0.2820
21 H3 H1 E 20 17 11 1.091 111.251 134.95 0.0000
22 O3 Os M 20 17 11 1.460 108.216 -106.61 -0.4780
LOOP
C3 C2
DONE
QcU INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390
5 C1 Cg 3 4 3 2 1.537 53.448 -6.93 0.2870
6 H11 H1 E 5 4 3 1.091 109.952 -154.15 0.0000
7 H12 H1 E 5 4 3 1.091 110.638 -34.86 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 86.15 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 179.97 0.4010
10 C3 Cg M 4 3 2 1.636 113.047 -107.26 0.3330
11 H3 H1 E 10 4 3 1.091 111.948 41.20 0.0000
12 C4 Cg 3 10 4 3 1.624 107.103 164.76 0.2930
13 H4 H1 E 12 10 4 1.092 112.868 136.79 0.0000
14 C5 Cg 3 12 10 4 1.622 107.882 12.29 0.3100
15 H5 H1 E 14 12 10 1.092 110.981 -127.12 0.0000
16 C6 Cg 3 14 12 10 1.529 112.711 109.36 0.2720
17 H61 H1 E 16 14 12 1.090 110.315 59.90 0.0000
18 H62 H1 E 16 14 12 1.091 110.618 -60.32 0.0000
19 O6 Os E 16 14 12 1.433 108.667 179.51 -0.4490
20 O5 Os E 14 12 10 1.577 105.503 -8.77 -0.4490
21 O4 Os E 12 10 4 1.434 107.032 -103.41 -0.5260
22 O3 Os M 10 4 3 1.439 111.311 -80.89 -0.4750
LOOP
O5 C2
DONE
QeA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Os E 9 7 6 1.434 108.916 -64.43 -0.4510
13 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
14 H4 H1 E 13 7 6 1.091 108.456 -65.22 0.0000
15 O4 Os E 13 7 6 1.439 109.886 177.28 -0.5000
16 C3 Cg M 13 7 6 1.544 113.133 54.81 0.3280
17 H3 H1 E 16 13 7 1.091 109.843 -174.05 0.0000
18 C2 Cg B 16 13 7 1.541 111.809 -51.50 0.1790
19 H2 H1 E 18 16 13 1.092 109.967 169.74 0.0000
20 O2 Oh S 18 16 13 1.437 107.327 -73.67 -0.6900
21 H2O Ho E 20 18 16 0.960 109.486 -178.36 0.4470
22 O3 Os M 16 13 7 1.442 110.012 67.08 -0.4880
LOOP
C2 C1
DONE
QeB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 O2 Oh S 6 4 3 1.463 112.571 -104.80 -0.6970
9 H2O Ho E 8 6 4 0.966 108.305 55.11 0.4320
10 C3 Cg M 6 4 3 1.540 108.887 135.69 0.3150
11 H3 H1 E 10 6 4 1.091 109.473 176.26 0.0000
12 C4 Cg 3 10 6 4 1.554 111.264 55.47 0.3200
13 H4 H1 E 12 10 6 1.091 108.716 63.72 0.0000
14 C5 Cg 3 12 10 6 1.549 111.196 -55.77 0.2570
15 H5 H1 E 14 12 10 1.092 109.111 -65.44 0.0000
16 C6 Cg 3 14 12 10 1.541 112.018 174.42 0.2780
17 H61 H1 E 16 14 12 1.090 110.614 60.34 0.0000
18 H62 H1 E 16 14 12 1.091 110.136 -59.38 0.0000
19 O6 Os E 16 14 12 1.439 109.977 -179.42 -0.4630
20 O5 Os E 14 12 10 1.501 109.730 53.07 -0.5320
21 O4 Os E 12 10 6 1.457 110.079 -178.65 -0.4980
22 O3 Os M 10 6 4 1.454 108.210 -66.23 -0.4720
LOOP
O5 C1
DONE
QgA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Os E 9 7 6 1.444 110.823 -72.03 -0.4580
13 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
14 H4 H1 E 13 7 6 1.092 109.342 -68.48 0.0000
15 O4 Os E 13 7 6 1.451 108.995 172.71 -0.4680
16 C3 Cg M 13 7 6 1.547 111.254 52.54 0.2860
17 H3 H1 E 16 13 7 1.092 109.616 66.99 0.0000
18 C2 Cg B 16 13 7 1.543 112.114 -54.50 0.2460
19 H2 H1 E 18 16 13 1.091 108.373 -65.99 0.0000
20 O2 Oh S 18 16 13 1.465 110.086 176.46 -0.7130
21 H2O Ho E 20 18 16 0.967 109.170 -83.89 0.4370
22 O3 Os M 16 13 7 1.452 108.604 -174.42 -0.4660
LOOP
C2 C1
DONE
QgB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 O2 Oh S 6 4 3 1.458 110.080 20.25 -0.7180
9 H2O Ho E 8 6 4 0.966 108.053 -54.43 0.4370
10 C3 Cg M 6 4 3 1.545 110.380 140.59 0.2840
11 H3 H1 E 10 6 4 1.092 109.008 -69.00 0.0000
12 C4 Cg 3 10 6 4 1.548 112.113 51.91 0.2760
13 H4 H1 E 12 10 6 1.092 109.378 67.39 0.0000
14 C5 Cg 3 12 10 6 1.543 111.306 -53.55 0.2250
15 H5 H1 E 14 12 10 1.092 109.126 -64.00 0.0000
16 C6 Cg 3 14 12 10 1.541 112.515 175.39 0.2820
17 H61 H1 E 16 14 12 1.090 110.609 61.43 0.0000
18 H62 H1 E 16 14 12 1.091 110.212 -58.37 0.0000
19 O6 Os E 16 14 12 1.440 109.810 -178.39 -0.4580
20 O5 Os E 14 12 10 1.495 108.909 54.04 -0.4710
21 O4 Os E 12 10 6 1.448 109.104 -173.75 -0.4680
22 O3 Os M 10 6 4 1.454 109.219 172.60 -0.4710
LOOP
O5 C1
DONE
QjD INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920
5 C1 Cg 3 4 3 2 1.554 16.572 -148.09 0.3890
6 H11 H1 E 5 4 3 1.091 110.219 17.52 0.0000
7 H12 H1 E 5 4 3 1.091 109.769 136.51 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -103.20 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 -50.29 0.3800
10 O5 Os M 4 3 2 1.567 99.436 71.06 -0.4100
11 C5 Cg M 10 4 3 1.585 113.292 149.88 0.1900
12 H5 H1 E 11 10 4 1.091 109.254 118.42 0.0000
13 C6 Cg 3 11 10 4 1.542 109.417 -121.68 0.3400
14 H61 H1 E 13 11 10 1.090 110.186 170.13 0.0000
15 H62 H1 E 13 11 10 1.090 110.250 50.63 0.0000
16 O6 Os E 13 11 10 1.441 110.517 -70.42 -0.4940
17 C4 Cg M 11 10 4 1.625 104.597 1.92 0.2330
18 H4 H1 E 17 11 10 1.090 107.076 101.60 0.0000
19 O4 Os E 17 11 10 1.458 113.707 -139.62 -0.4510
20 C3 Cg M 17 11 10 1.642 107.375 -13.44 0.3930
21 H3 H1 E 20 17 11 1.091 111.073 142.12 0.0000
22 O3 Os M 20 17 11 1.455 107.927 -98.38 -0.4960
LOOP
C3 C2
DONE
QjU INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510
5 C1 Cg 3 4 3 2 1.554 41.375 -67.07 0.3330
6 H11 H1 E 5 4 3 1.090 109.574 170.02 0.0000
7 H12 H1 E 5 4 3 1.090 110.121 -71.39 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 49.66 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 173.81 0.4150
10 C3 Cg M 4 3 2 1.643 134.152 -137.11 0.2230
11 H3 H1 E 10 4 3 1.090 111.499 28.62 0.0000
12 C4 Cg 3 10 4 3 1.639 106.529 149.37 0.2840
13 H4 H1 E 12 10 4 1.091 107.844 -100.60 0.0000
14 C5 Cg 3 12 10 4 1.619 107.844 15.28 0.1000
15 H5 H1 E 14 12 10 1.089 109.205 -129.69 0.0000
16 C6 Cg 3 14 12 10 1.537 115.282 106.51 0.3490
17 H61 H1 E 16 14 12 1.090 111.054 58.46 0.0000
18 H62 H1 E 16 14 12 1.089 110.316 -62.25 0.0000
19 O6 Os E 16 14 12 1.435 108.026 178.22 -0.4670
20 O5 Os E 14 12 10 1.585 104.895 -12.75 -0.3890
21 O4 Os E 12 10 4 1.442 112.118 140.35 -0.4410
22 O3 Os M 10 4 3 1.460 110.322 -92.24 -0.4490
LOOP
O5 C2
DONE
QkA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Os E 9 7 6 1.434 108.908 -64.18 -0.4630
13 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
14 H4 H1 E 13 7 6 1.091 109.347 173.46 0.0000
15 O4 Os E 13 7 6 1.440 109.315 -68.60 -0.4860
16 C3 Cg M 13 7 6 1.541 113.058 50.90 0.3540
17 H3 H1 E 16 13 7 1.091 110.148 -170.51 0.0000
18 C2 Cg B 16 13 7 1.544 111.196 -48.50 0.2810
19 H2 H1 E 18 16 13 1.091 106.696 -68.80 0.0000
20 O2 Oh S 18 16 13 1.439 110.836 175.80 -0.7160
21 H2O Ho E 20 18 16 0.960 109.409 -65.65 0.4270
22 O3 Os M 16 13 7 1.440 107.217 72.05 -0.5020
LOOP
C2 C1
DONE
QkB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 O2 Oh S 6 4 3 1.462 111.766 18.28 -0.7100
9 H2O Ho E 8 6 4 0.965 108.091 -56.20 0.4260
10 C3 Cg M 6 4 3 1.547 110.415 140.23 0.2530
11 H3 H1 E 10 6 4 1.091 109.195 174.71 0.0000
12 C4 Cg 3 10 6 4 1.545 111.988 53.40 0.2170
13 H4 H1 E 12 10 6 1.091 109.393 -172.98 0.0000
14 C5 Cg 3 12 10 6 1.553 111.117 -52.75 0.3030
15 H5 H1 E 14 12 10 1.092 107.789 -66.12 0.0000
16 C6 Cg 3 14 12 10 1.542 113.025 175.07 0.2590
17 H61 H1 E 16 14 12 1.090 110.096 53.77 0.0000
18 H62 H1 E 16 14 12 1.090 110.533 -65.83 0.0000
19 O6 Os E 16 14 12 1.441 110.162 173.71 -0.4480
20 O5 Os E 14 12 10 1.499 110.891 51.77 -0.5140
21 O4 Os E 12 10 6 1.455 108.780 69.68 -0.4690
22 O3 Os M 10 6 4 1.452 110.271 -66.88 -0.4620
LOOP
O5 C1
DONE
QlA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Os E 9 7 6 1.434 108.858 -64.45 -0.4600
13 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
14 H4 H1 E 13 7 6 1.091 109.671 175.54 0.0000
15 O4 Os E 13 7 6 1.445 108.372 -65.83 -0.4310
16 C3 Cg M 13 7 6 1.544 110.422 54.45 0.2530
17 H3 H1 E 16 13 7 1.091 108.559 66.00 0.0000
18 C2 Cg B 16 13 7 1.541 111.714 -54.48 0.3390
19 H2 H1 E 18 16 13 1.091 108.995 -66.63 0.0000
20 O2 Oh S 18 16 13 1.440 110.049 175.31 -0.7240
21 H2O Ho E 20 18 16 0.960 109.415 -62.60 0.4310
22 O3 Os M 16 13 7 1.440 109.147 -176.39 -0.4620
LOOP
C2 C1
DONE
QlB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 O2 Oh S 6 4 3 1.459 109.860 20.73 -0.7260
9 H2O Ho E 8 6 4 0.965 107.724 -55.10 0.4320
10 C3 Cg M 6 4 3 1.547 110.130 140.44 0.2590
11 H3 H1 E 10 6 4 1.092 108.676 -66.21 0.0000
12 C4 Cg 3 10 6 4 1.546 112.254 53.31 0.2030
13 H4 H1 E 12 10 6 1.091 109.260 -175.38 0.0000
14 C5 Cg 3 12 10 6 1.545 110.517 -55.04 0.1400
15 H5 H1 E 14 12 10 1.092 107.648 -63.90 0.0000
16 C6 Cg 3 14 12 10 1.539 113.155 176.88 0.3190
17 H61 H1 E 16 14 12 1.090 110.337 53.86 0.0000
18 H62 H1 E 16 14 12 1.091 110.848 -66.38 0.0000
19 O6 Os E 16 14 12 1.437 109.027 173.44 -0.4680
20 O5 Os E 14 12 10 1.495 110.103 53.62 -0.4020
21 O4 Os E 12 10 6 1.449 109.638 65.91 -0.4210
22 O3 Os M 10 6 4 1.455 110.815 175.60 -0.4550
LOOP
O5 C1
DONE
QmA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Os E 9 7 6 1.444 110.952 -70.49 -0.4600
13 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
14 H4 H1 E 13 7 6 1.091 109.924 -69.18 0.0000
15 O4 Os E 13 7 6 1.452 108.824 171.70 -0.4890
16 C3 Cg M 13 7 6 1.549 110.605 52.31 0.2520
17 H3 H1 E 16 13 7 1.092 108.663 62.49 0.0000
18 C2 Cg B 16 13 7 1.545 111.609 -57.15 0.2450
19 H2 H1 E 18 16 13 1.091 109.207 175.17 0.0000
20 O2 Oh S 18 16 13 1.459 109.731 -66.73 -0.7170
21 H2O Ho E 20 18 16 0.965 108.621 -45.43 0.4460
22 O3 Os M 16 13 7 1.461 110.813 -179.59 -0.4590
LOOP
C2 C1
DONE
QmB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 O2 Oh S 6 4 3 1.459 109.767 -99.50 -0.6640
9 H2O Ho E 8 6 4 0.964 107.524 55.50 0.4310
10 C3 Cg M 6 4 3 1.547 107.300 140.06 0.2630
11 H3 H1 E 10 6 4 1.092 107.890 -58.13 0.0000
12 C4 Cg 3 10 6 4 1.553 110.623 60.52 0.3490
13 H4 H1 E 12 10 6 1.091 109.997 63.90 0.0000
14 C5 Cg 3 12 10 6 1.550 110.419 -57.43 0.2060
15 H5 H1 E 14 12 10 1.092 108.705 -67.76 0.0000
16 C6 Cg 3 14 12 10 1.539 111.873 172.30 0.2730
17 H61 H1 E 16 14 12 1.090 110.558 59.60 0.0000
18 H62 H1 E 16 14 12 1.091 110.262 -60.18 0.0000
19 O6 Os E 16 14 12 1.439 109.850 179.68 -0.4550
20 O5 Os E 14 12 10 1.498 110.843 50.51 -0.3930
21 O4 Os E 12 10 6 1.452 109.624 -176.73 -0.4970
22 O3 Os M 10 6 4 1.457 110.746 -174.70 -0.4560
LOOP
O5 C1
DONE
QnA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Os E 9 7 6 1.434 109.011 -63.74 -0.4610
13 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
14 H4 H1 E 13 7 6 1.091 108.424 -67.01 0.0000
15 O4 Os E 13 7 6 1.439 109.651 175.64 -0.4830
16 C3 Cg M 13 7 6 1.543 113.659 53.11 0.3300
17 H3 H1 E 16 13 7 1.091 110.022 -173.93 0.0000
18 C2 Cg B 16 13 7 1.541 108.602 -53.52 0.2280
19 H2 H1 E 18 16 13 1.091 106.837 -65.32 0.0000
20 O2 Oh S 18 16 13 1.439 110.703 179.06 -0.6680
21 H2O Ho E 20 18 16 0.960 109.386 -64.03 0.4150
22 O3 Os M 16 13 7 1.445 109.798 66.31 -0.4670
LOOP
C2 C1
DONE
QnB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 O2 Oh S 6 4 3 1.458 111.714 19.64 -0.7030
9 H2O Ho E 8 6 4 0.966 108.382 -58.42 0.4240
10 C3 Cg M 6 4 3 1.544 110.844 141.66 0.2340
11 H3 H1 E 10 6 4 1.092 109.398 175.17 0.0000
12 C4 Cg 3 10 6 4 1.546 109.920 54.68 0.2860
13 H4 H1 E 12 10 6 1.091 108.699 62.12 0.0000
14 C5 Cg 3 12 10 6 1.547 111.303 -57.50 0.1980
15 H5 H1 E 14 12 10 1.091 109.233 -61.92 0.0000
16 C6 Cg 3 14 12 10 1.541 112.741 177.70 0.3130
17 H61 H1 E 16 14 12 1.090 110.689 61.33 0.0000
18 H62 H1 E 16 14 12 1.090 110.338 -58.85 0.0000
19 O6 Os E 16 14 12 1.438 109.178 -178.76 -0.4650
20 O5 Os E 14 12 10 1.500 108.536 56.16 -0.5070
21 O4 Os E 12 10 6 1.447 109.608 179.74 -0.4710
22 O3 Os M 10 6 4 1.458 109.599 -65.98 -0.4200
LOOP
O5 C1
DONE
QpD INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240
5 C1 Cg 3 4 3 2 1.533 11.296 11.27 0.2860
6 H11 H1 E 5 4 3 1.091 110.553 139.19 0.0000
7 H12 H1 E 5 4 3 1.091 110.436 -100.78 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 19.30 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 -179.30 0.4190
10 O5 Os M 4 3 2 1.578 107.245 118.43 -0.4530
11 C5 Cg M 10 4 3 1.580 112.574 125.89 0.1940
12 H5 H1 E 11 10 4 1.092 109.225 119.03 0.0000
13 C6 Cg 3 11 10 4 1.529 108.517 -121.64 0.2910
14 H61 H1 E 13 11 10 1.090 110.281 176.00 0.0000
15 H62 H1 E 13 11 10 1.091 110.695 55.73 0.0000
16 O6 Os E 13 11 10 1.433 108.604 -64.48 -0.4780
17 C4 Cg M 11 10 4 1.626 105.532 -0.49 0.2820
18 H4 H1 E 17 11 10 1.091 112.773 -134.13 0.0000
19 O4 Os E 17 11 10 1.437 105.885 105.93 -0.4560
20 C3 Cg M 17 11 10 1.629 106.867 -10.85 0.3340
21 H3 H1 E 20 17 11 1.090 106.567 -97.07 0.0000
22 O3 Os M 20 17 11 1.441 113.670 145.25 -0.4400
LOOP
C3 C2
DONE
QpU INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880
5 C1 Cg 3 4 3 2 1.541 49.994 0.67 0.3650
6 H11 H1 E 5 4 3 1.090 109.918 -145.53 0.0000
7 H12 H1 E 5 4 3 1.091 110.660 -26.12 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 94.77 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 -179.45 0.4180
10 C3 Cg M 4 3 2 1.631 108.524 -109.61 0.3340
11 H3 H1 E 10 4 3 1.091 109.543 -74.21 0.0000
12 C4 Cg 3 10 4 3 1.631 107.756 169.64 0.1920
13 H4 H1 E 12 10 4 1.091 111.099 133.10 0.0000
14 C5 Cg 3 12 10 4 1.623 107.338 10.25 0.3690
15 H5 H1 E 14 12 10 1.092 111.285 -129.81 0.0000
16 C6 Cg 3 14 12 10 1.529 112.798 106.76 0.2150
17 H61 H1 E 16 14 12 1.090 110.301 60.35 0.0000
18 H62 H1 E 16 14 12 1.091 110.659 -59.91 0.0000
19 O6 Os E 16 14 12 1.433 108.649 179.93 -0.4510
20 O5 Os E 14 12 10 1.576 105.494 -11.41 -0.4800
21 O4 Os E 12 10 4 1.438 110.850 -105.23 -0.4670
22 O3 Os M 10 4 3 1.441 112.255 44.83 -0.4840
LOOP
O5 C2
DONE
QtA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Os E 9 7 6 1.434 108.863 -64.48 -0.4620
13 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
14 H4 H1 E 13 7 6 1.091 109.540 173.93 0.0000
15 O4 Os E 13 7 6 1.443 109.067 -67.36 -0.5080
16 C3 Cg M 13 7 6 1.543 109.739 53.52 0.1240
17 H3 H1 E 16 13 7 1.091 106.734 65.74 0.0000
18 C2 Cg B 16 13 7 1.545 114.910 -52.34 0.2450
19 H2 H1 E 18 16 13 1.091 109.723 171.12 0.0000
20 O2 Oh S 18 16 13 1.440 110.347 -69.94 -0.6550
21 H2O Ho E 20 18 16 0.960 109.490 -179.95 0.4360
22 O3 Os M 16 13 7 1.439 110.707 -178.75 -0.4390
LOOP
C2 C1
DONE
QtB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 O2 Oh S 6 4 3 1.444 109.193 -100.97 -0.6370
9 H2O Ho E 8 6 4 0.960 109.413 58.90 0.3970
10 C3 Cg M 6 4 3 1.545 108.990 139.13 0.1740
11 H3 H1 E 10 6 4 1.091 106.777 -66.52 0.0000
12 C4 Cg 3 10 6 4 1.547 114.890 51.64 0.3140
13 H4 H1 E 12 10 6 1.091 109.570 -171.49 0.0000
14 C5 Cg 3 12 10 6 1.547 110.218 -50.96 0.0310
15 H5 H1 E 14 12 10 1.092 107.394 -65.47 0.0000
16 C6 Cg 3 14 12 10 1.535 115.137 174.64 0.3490
17 H61 H1 E 16 14 12 1.090 110.278 53.24 0.0000
18 H62 H1 E 16 14 12 1.091 110.886 -67.01 0.0000
19 O6 Os E 16 14 12 1.434 108.837 172.73 -0.4540
20 O5 Os E 14 12 10 1.487 109.426 51.66 -0.3540
21 O4 Os E 12 10 6 1.443 110.169 69.26 -0.4070
22 O3 Os M 10 6 4 1.439 110.677 177.92 -0.4470
LOOP
O5 C1
DONE
QvA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.287 114.935 -133.03 0.3890
5 H1 H2 E 4 3 2 1.090 123.196 38.74 0.0000
6 O5 Os M 4 3 2 1.470 74.128 -62.95 -0.4660
7 C5 Cg M 6 4 3 1.497 117.776 -69.87 0.1120
8 H5 H1 E 7 6 4 1.091 107.067 65.15 0.0000
9 C6 Cg 3 7 6 4 1.543 110.655 -179.51 0.3620
10 H61 H1 E 9 7 6 1.090 109.608 -176.18 0.0000
11 H62 H1 E 9 7 6 1.090 110.167 -57.43 0.0000
12 O6 Os E 9 7 6 1.435 111.052 63.47 -0.4810
13 C4 Cg M 7 6 4 1.548 110.914 -51.03 0.3260
14 H4 H1 E 13 7 6 1.091 109.088 172.26 0.0000
15 O4 Os E 13 7 6 1.450 110.237 -68.94 -0.4530
16 C3 Cg M 13 7 6 1.547 111.081 51.89 0.1760
17 H3 H1 E 16 13 7 1.091 107.961 63.63 0.0000
18 C2 Cg B 16 13 7 1.551 111.657 -55.51 0.3990
19 H2 H1 E 18 16 13 1.092 107.862 -63.61 0.0000
20 N2 Ng B 18 16 13 1.483 110.775 178.49 -0.5950
21 H2N H E 20 18 16 1.007 117.335 -40.12 0.2380
22 C2N C B 20 18 16 1.336 122.570 153.82 0.6250
23 O2N O E 22 20 18 1.227 121.897 -4.65 -0.6050
24 CME Cg 3 22 20 18 1.541 116.317 175.68 0.0320
25 H1M Hc E 24 22 20 1.091 109.644 69.76 0.0000
26 H2M Hc E 24 22 20 1.091 110.181 -170.34 0.0000
27 H3M Hc E 24 22 20 1.091 110.069 -50.52 0.0000
28 O3 Os M 16 13 7 1.462 109.029 179.93 -0.4470
LOOP
C2 C1
DONE
QvB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.231 114.893 -133.39 0.3050
5 H1 H2 E 4 3 2 1.091 65.505 -67.74 0.0000
6 C2 Cg M 4 3 2 1.568 137.512 -160.40 0.5440
7 H2 H1 E 6 4 3 1.091 107.972 -101.23 0.0000
8 N2 Ng B 6 4 3 1.481 111.069 18.97 -0.6860
9 H2N H E 8 6 4 1.005 118.080 45.86 0.2540
10 C2N C B 8 6 4 1.336 122.747 -132.36 0.5860
11 CME Cg 3 10 8 6 1.543 116.272 -179.61 0.0560
12 H1M Hc E 11 10 8 1.091 109.419 84.79 0.0000
13 H2M Hc E 11 10 8 1.091 109.982 -155.53 0.0000
14 H3M Hc E 11 10 8 1.092 110.645 -35.56 0.0000
15 O2N O E 10 8 6 1.227 122.402 -0.23 -0.5640
16 C3 Cg M 6 4 3 1.558 108.807 140.94 0.1520
17 H3 H1 E 16 6 4 1.092 108.105 -63.18 0.0000
18 C4 Cg 3 16 6 4 1.544 111.369 55.44 0.2530
19 H4 H1 E 18 16 6 1.091 109.237 -177.04 0.0000
20 C5 Cg 3 18 16 6 1.544 111.265 -56.32 0.1360
21 H5 H1 E 20 18 16 1.092 107.572 -64.67 0.0000
22 C6 Cg 3 20 18 16 1.539 112.869 176.15 0.3530
23 H61 H1 E 22 20 18 1.091 110.331 53.32 0.0000
24 H62 H1 E 22 20 18 1.090 110.929 -67.00 0.0000
25 O6 Os E 22 20 18 1.436 108.896 172.76 -0.4810
26 O5 Os E 20 18 16 1.495 110.300 52.85 -0.4080
27 O4 Os E 18 16 6 1.445 108.904 64.66 -0.4440
28 O3 Os M 16 6 4 1.462 113.219 178.26 -0.4440
LOOP
O5 C1
DONE
QwA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.378 115.021 -132.94 0.4621
5 H1 H2 E 4 3 2 1.090 120.003 38.85 0.0000
6 O5 Os M 4 3 2 1.469 73.200 -63.39 -0.5415
7 C5 Cg M 6 4 3 1.495 117.898 -69.31 0.2421
8 H5 H1 E 7 6 4 1.092 106.799 68.49 0.0000
9 C6 Cg 3 7 6 4 1.545 109.924 -175.74 0.2995
10 H61 H1 E 9 7 6 1.090 109.924 -166.49 0.0000
11 H62 H1 E 9 7 6 1.090 109.575 -48.28 0.0000
12 O6 Os E 9 7 6 1.443 112.033 72.71 -0.4599
13 C4 Cg M 7 6 4 1.547 111.317 -49.02 0.3213
14 H4 H1 E 13 7 6 1.091 109.249 -73.83 0.0000
15 O4 Os E 13 7 6 1.458 108.618 168.10 -0.4821
16 C3 Cg M 13 7 6 1.550 112.664 46.63 0.2520
17 H3 H1 E 16 13 7 1.091 108.491 68.12 0.0000
18 C2 Cg B 16 13 7 1.549 112.400 -51.61 0.2750
19 H2 H1 E 18 16 13 1.092 108.473 171.95 0.0000
20 N2 Ng B 18 16 13 1.482 111.789 -70.12 -0.4751
21 H2N H E 20 18 16 1.007 117.562 12.93 0.2142
22 C2N C B 20 18 16 1.336 123.787 -162.76 0.5909
23 O2N O E 22 20 18 1.229 122.265 -3.32 -0.5757
24 CME Cg 3 22 20 18 1.539 115.681 177.62 -0.0340
25 H1M Hc E 24 22 20 1.091 109.868 -60.00 0.0000
26 H2M Hc E 24 22 20 1.091 110.252 -179.93 0.0000
27 H3M Hc E 24 22 20 1.091 109.810 60.19 0.0000
28 O3 Os M 16 13 7 1.455 109.482 -174.62 -0.4768
LOOP
C2 C1
DONE
QwB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.322 114.834 -133.45 0.3870
5 H1 H2 E 4 3 2 1.091 67.634 -69.01 0.0000
6 C2 Cg M 4 3 2 1.557 139.933 -164.47 0.2940
7 H2 H1 E 6 4 3 1.092 107.791 25.05 0.0000
8 N2 Ng B 6 4 3 1.485 112.591 -94.31 -0.5580
9 H2N H E 8 6 4 1.007 117.378 -30.20 0.2650
10 C2N C B 8 6 4 1.337 123.528 147.74 0.5850
11 CME Cg 3 10 8 6 1.544 116.722 -177.13 0.0560
12 H1M Hc E 11 10 8 1.090 109.199 -104.92 0.0000
13 H2M Hc E 11 10 8 1.091 109.840 135.47 0.0000
14 H3M Hc E 11 10 8 1.092 111.211 15.23 0.0000
15 O2N O E 10 8 6 1.229 121.350 4.57 -0.6000
16 C3 Cg M 6 4 3 1.550 108.254 141.57 0.2170
17 H3 H1 E 16 6 4 1.092 107.807 -64.62 0.0000
18 C4 Cg 3 16 6 4 1.551 112.012 54.98 0.2770
19 H4 H1 E 18 16 6 1.092 109.220 68.41 0.0000
20 C5 Cg 3 18 16 6 1.549 111.754 -52.70 0.3210
21 H5 H1 E 20 18 16 1.092 108.891 -67.49 0.0000
22 C6 Cg 3 20 18 16 1.542 112.546 172.10 0.2470
23 H61 H1 E 22 20 18 1.090 110.437 60.16 0.0000
24 H62 H1 E 22 20 18 1.091 110.098 -59.35 0.0000
25 O6 Os E 22 20 18 1.442 110.379 -179.51 -0.4440
26 O5 Os E 20 18 16 1.498 109.860 50.66 -0.4980
27 O4 Os E 18 16 6 1.447 108.869 -173.07 -0.4980
28 O3 Os M 16 6 4 1.458 111.031 177.66 -0.4390
LOOP
O5 C1
DONE
QyA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.337 115.005 -132.87 0.4680
5 H1 H2 E 4 3 2 1.090 120.341 36.84 0.0000
6 O5 Os M 4 3 2 1.463 68.163 -62.20 -0.5680
7 C5 Cg M 6 4 3 1.500 118.098 -74.28 0.2460
8 H5 H1 E 7 6 4 1.092 107.019 68.26 0.0000
9 C6 Cg 3 7 6 4 1.544 110.054 -175.47 0.3280
10 H61 H1 E 9 7 6 1.090 109.603 -54.04 0.0000
11 H62 H1 E 9 7 6 1.090 110.073 -172.40 0.0000
12 O6 Os E 9 7 6 1.444 111.701 66.58 -0.4610
13 C4 Cg M 7 6 4 1.544 111.305 -49.64 0.3220
14 H4 H1 E 13 7 6 1.091 109.775 -72.41 0.0000
15 O4 Os E 13 7 6 1.448 108.615 168.54 -0.4780
16 C3 Cg M 13 7 6 1.546 112.523 49.14 0.1650
17 H3 H1 E 16 13 7 1.092 109.255 68.91 0.0000
18 C2 Cg B 16 13 7 1.547 112.211 -51.74 0.2450
19 H2 H1 E 18 16 13 1.092 107.659 -66.49 0.0000
20 N2 Ng B 18 16 13 1.486 111.285 175.94 -0.5520
21 H2N H E 20 18 16 1.009 115.982 -94.71 0.2360
22 C2N C B 20 18 16 1.338 124.714 81.84 0.5880
23 O2N O E 22 20 18 1.228 121.379 -4.88 -0.5790
24 CME Cg 3 22 20 18 1.544 117.110 175.73 0.0630
25 H1M Hc E 24 22 20 1.090 109.379 118.32 0.0000
26 H2M Hc E 24 22 20 1.091 109.387 -122.31 0.0000
27 H3M Hc E 24 22 20 1.092 111.363 -2.06 0.0000
28 O3 Os M 16 13 7 1.457 108.091 -173.19 -0.4110
LOOP
C2 C1
DONE
QyB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.305 114.875 -133.41 0.2870
5 H1 H2 E 4 3 2 1.091 64.963 -66.48 0.0000
6 C2 Cg M 4 3 2 1.566 139.050 -158.60 0.4800
7 H2 H1 E 6 4 3 1.092 107.602 -101.85 0.0000
8 N2 Ng B 6 4 3 1.484 111.108 18.10 -0.7220
9 H2N H E 8 6 4 1.006 117.592 43.53 0.3000
10 C2N C B 8 6 4 1.336 123.143 -126.00 0.6480
11 CME Cg 3 10 8 6 1.542 116.434 175.43 0.0340
12 H1M Hc E 11 10 8 1.091 109.335 82.58 0.0000
13 H2M Hc E 11 10 8 1.091 110.076 -157.79 0.0000
14 H3M Hc E 11 10 8 1.092 110.630 -37.74 0.0000
15 O2N O E 10 8 6 1.226 122.116 -6.61 -0.5760
16 C3 Cg M 6 4 3 1.555 109.532 140.96 0.1800
17 H3 H1 E 16 6 4 1.092 108.635 -66.15 0.0000
18 C4 Cg 3 16 6 4 1.547 110.847 53.41 0.3020
19 H4 H1 E 18 16 6 1.092 109.529 65.76 0.0000
20 C5 Cg 3 18 16 6 1.542 111.743 -55.82 0.2080
21 H5 H1 E 20 18 16 1.092 109.079 -62.53 0.0000
22 C6 Cg 3 20 18 16 1.540 112.556 176.83 0.2890
23 H61 H1 E 22 20 18 1.090 110.526 60.82 0.0000
24 H62 H1 E 22 20 18 1.091 110.298 -59.01 0.0000
25 O6 Os E 22 20 18 1.439 109.712 -179.18 -0.4590
26 O5 Os E 20 18 16 1.493 108.679 55.34 -0.4330
27 O4 Os E 18 16 6 1.444 108.505 -175.54 -0.4740
28 O3 Os M 16 6 4 1.462 112.173 174.68 -0.4520
LOOP
O5 C1
DONE
REA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 C3 Cg 3 6 4 3 1.541 114.896 172.06 0.3280
9 H3 H1 E 8 6 4 1.091 110.106 -167.45 0.0000
10 C4 Cg 3 8 6 4 1.544 111.809 -45.05 0.2610
11 H4 H1 E 10 8 6 1.091 108.188 -68.68 0.0000
12 C5 Cg 3 10 8 6 1.541 113.133 51.50 0.3740
13 H5 H1 E 12 10 8 1.092 109.237 63.30 0.0000
14 C6 Cg 3 12 10 8 1.535 114.012 -174.39 0.2590
15 H62 H1 E 14 12 10 1.090 110.525 -56.55 0.0000
16 H61 H1 E 14 12 10 1.091 110.727 63.66 0.0000
17 O6 Os E 14 12 10 1.434 108.916 -175.95 -0.4510
18 O5 Os E 12 10 8 1.485 107.816 -54.81 -0.5870
19 O4 Os E 10 8 6 1.439 109.304 174.29 -0.5000
20 O3 Oh S 8 6 4 1.442 106.866 75.38 -0.7140
21 H3O Ho E 20 8 6 0.960 109.461 58.71 0.4200
22 O2 Os M 6 4 3 1.437 106.903 53.10 -0.4370
LOOP
O5 C1
DONE
REB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Os E 9 7 6 1.439 109.977 57.72 -0.4630
13 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
14 H4 H1 E 13 7 6 1.091 108.584 66.50 0.0000
15 O4 Os E 13 7 6 1.457 110.564 -175.67 -0.4980
16 C3 Cg M 13 7 6 1.554 111.196 -53.07 0.3150
17 H3 H1 E 16 13 7 1.091 109.198 176.72 0.0000
18 O3 Oh S 16 13 7 1.454 110.601 -64.53 -0.6810
19 H3O Ho E 18 16 13 0.965 108.397 -50.06 0.4030
20 C2 Cg M 16 13 7 1.540 111.264 55.77 0.1840
21 H2 H1 E 20 16 13 1.091 109.856 -175.33 0.0000
22 O2 Os M 20 16 13 1.463 107.825 66.95 -0.4590
LOOP
C2 C1
DONE
RGA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 C3 Cg 3 6 4 3 1.543 111.424 -164.87 0.2860
9 H3 H1 E 8 6 4 1.092 109.239 69.49 0.0000
10 C4 Cg 3 8 6 4 1.547 112.114 -52.22 0.2540
11 H4 H1 E 10 8 6 1.092 109.454 -66.45 0.0000
12 C5 Cg 3 10 8 6 1.543 111.254 54.50 0.2830
13 H5 H1 E 12 10 8 1.092 108.261 65.38 0.0000
14 C6 Cg 3 12 10 8 1.546 112.538 -174.79 0.2760
15 H62 H1 E 14 12 10 1.090 110.682 -45.93 0.0000
16 H61 H1 E 14 12 10 1.091 110.014 73.31 0.0000
17 O6 Os E 14 12 10 1.444 110.823 -165.78 -0.4580
18 O5 Os E 12 10 8 1.500 109.539 -52.54 -0.5740
19 O4 Os E 10 8 6 1.451 108.956 174.69 -0.4680
20 O3 Oh S 8 6 4 1.452 108.531 -172.18 -0.6990
21 H3O Ho E 20 8 6 0.967 107.382 -43.08 0.4270
22 O2 Os M 6 4 3 1.465 111.499 -41.43 -0.4700
LOOP
O5 C1
DONE
RGB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Os E 9 7 6 1.440 109.810 57.27 -0.4580
13 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
14 H4 H1 E 13 7 6 1.092 109.352 66.92 0.0000
15 O4 Os E 13 7 6 1.448 108.899 -174.36 -0.4680
16 C3 Cg M 13 7 6 1.548 111.306 -54.04 0.2840
17 H3 H1 E 16 13 7 1.092 109.104 -67.30 0.0000
18 O3 Oh S 16 13 7 1.454 108.817 174.47 -0.7090
19 H3O Ho E 18 16 13 0.967 107.396 -174.95 0.4320
20 C2 Cg M 16 13 7 1.545 112.113 53.55 0.3100
21 H2 H1 E 20 16 13 1.092 109.394 68.33 0.0000
22 O2 Os M 20 16 13 1.458 108.975 -172.91 -0.4750
LOOP
C2 C1
DONE
RKA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 C3 Cg 3 6 4 3 1.544 115.219 178.76 0.3540
9 H3 H1 E 8 6 4 1.091 109.846 -171.16 0.0000
10 C4 Cg 3 8 6 4 1.541 111.196 -48.97 0.1960
11 H4 H1 E 10 8 6 1.091 109.723 170.85 0.0000
12 C5 Cg 3 10 8 6 1.549 113.058 48.50 0.3010
13 H5 H1 E 12 10 8 1.092 107.347 66.38 0.0000
14 C6 Cg 3 12 10 8 1.535 114.885 -173.99 0.2870
15 H62 H1 E 14 12 10 1.090 110.246 -52.70 0.0000
16 H61 H1 E 14 12 10 1.091 110.887 67.51 0.0000
17 O6 Os E 14 12 10 1.434 108.908 -172.15 -0.4630
18 O5 Os E 12 10 8 1.489 109.902 -50.90 -0.5400
19 O4 Os E 10 8 6 1.440 107.338 -72.13 -0.4860
20 O3 Oh S 8 6 4 1.440 110.218 69.79 -0.7440
21 H3O Ho E 20 8 6 0.960 109.437 59.70 0.4360
22 O2 Os M 6 4 3 1.439 110.808 -54.40 -0.4830
LOOP
O5 C1
DONE
RKB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Os E 9 7 6 1.441 110.162 62.18 -0.4480
13 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
14 H4 H1 E 13 7 6 1.091 108.867 -172.31 0.0000
15 O4 Os E 13 7 6 1.455 110.952 69.39 -0.4690
16 C3 Cg M 13 7 6 1.545 111.117 -51.77 0.2530
17 H3 H1 E 16 13 7 1.091 109.391 173.95 0.0000
18 O3 Oh S 16 13 7 1.452 107.992 -68.85 -0.7100
19 H3O Ho E 18 16 13 0.968 107.267 175.38 0.4420
20 C2 Cg M 16 13 7 1.547 111.988 52.75 0.3080
21 H2 H1 E 20 16 13 1.091 108.509 65.85 0.0000
22 O2 Os M 20 16 13 1.462 109.337 -176.76 -0.4780
LOOP
C2 C1
DONE
RLA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 C3 Cg 3 6 4 3 1.541 112.432 -178.15 0.2530
9 H3 H1 E 8 6 4 1.091 109.206 67.02 0.0000
10 C4 Cg 3 8 6 4 1.544 111.714 -53.08 0.2040
11 H4 H1 E 10 8 6 1.091 109.766 175.51 0.0000
12 C5 Cg 3 10 8 6 1.544 110.422 54.48 0.2160
13 H5 H1 E 12 10 8 1.092 107.514 62.91 0.0000
14 C6 Cg 3 12 10 8 1.535 114.934 -177.18 0.3080
15 H62 H1 E 14 12 10 1.090 110.251 -53.15 0.0000
16 H61 H1 E 14 12 10 1.091 110.918 67.08 0.0000
17 O6 Os E 14 12 10 1.434 108.858 -172.60 -0.4600
18 O5 Os E 12 10 8 1.490 109.289 -54.45 -0.5270
19 O4 Os E 10 8 6 1.445 109.785 -64.95 -0.4310
20 O3 Oh S 8 6 4 1.440 110.035 -174.48 -0.7010
21 H3O Ho E 20 8 6 0.960 109.438 -57.69 0.4330
22 O2 Os M 6 4 3 1.440 109.403 -55.56 -0.4870
LOOP
O5 C1
DONE
RLB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Os E 9 7 6 1.437 109.027 63.12 -0.4680
13 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
14 H4 H1 E 13 7 6 1.091 109.333 -173.92 0.0000
15 O4 Os E 13 7 6 1.449 109.628 67.34 -0.4210
16 C3 Cg M 13 7 6 1.546 110.517 -53.62 0.2590
17 H3 H1 E 16 13 7 1.092 108.098 -64.81 0.0000
18 O3 Oh S 16 13 7 1.455 109.126 178.29 -0.6940
19 H3O Ho E 18 16 13 0.967 107.449 -176.92 0.4330
20 C2 Cg M 16 13 7 1.547 112.254 55.04 0.3570
21 H2 H1 E 20 16 13 1.092 109.716 67.43 0.0000
22 O2 Os M 20 16 13 1.459 108.705 -173.71 -0.4880
LOOP
C2 C1
DONE
RMA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 C3 Cg 3 6 4 3 1.545 110.571 -158.93 0.2520
9 H3 H1 E 8 6 4 1.092 108.528 64.93 0.0000
10 C4 Cg 3 8 6 4 1.549 111.609 -54.79 0.3260
11 H4 H1 E 10 8 6 1.091 109.865 -64.38 0.0000
12 C5 Cg 3 10 8 6 1.546 110.605 57.15 0.2760
13 H5 H1 E 12 10 8 1.092 108.214 65.71 0.0000
14 C6 Cg 3 12 10 8 1.544 112.153 -174.59 0.2660
15 H62 H1 E 14 12 10 1.090 110.579 -46.84 0.0000
16 H61 H1 E 14 12 10 1.091 110.051 72.33 0.0000
17 O6 Os E 14 12 10 1.444 110.952 -166.67 -0.4600
18 O5 Os E 12 10 8 1.497 110.394 -52.31 -0.5070
19 O4 Os E 10 8 6 1.452 108.734 176.59 -0.4890
20 O3 Oh S 8 6 4 1.461 109.595 -177.93 -0.6960
21 H3O Ho E 20 8 6 0.964 109.699 -74.81 0.4310
22 O2 Os M 6 4 3 1.459 110.007 79.71 -0.4650
LOOP
O5 C1
DONE
RMB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Os E 9 7 6 1.439 109.850 57.44 -0.4550
13 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
14 H4 H1 E 13 7 6 1.091 109.789 70.94 0.0000
15 O4 Os E 13 7 6 1.452 108.352 -170.58 -0.4970
16 C3 Cg M 13 7 6 1.553 110.419 -50.51 0.2630
17 H3 H1 E 16 13 7 1.092 108.588 -60.79 0.0000
18 O3 Oh S 16 13 7 1.457 111.995 -178.50 -0.6920
19 H3O Ho E 18 16 13 0.962 109.624 81.59 0.4300
20 C2 Cg M 16 13 7 1.547 110.623 57.43 0.2410
21 H2 H1 E 20 16 13 1.091 110.076 180.00 0.0000
22 O2 Os M 20 16 13 1.459 110.769 59.28 -0.4270
LOOP
C2 C1
DONE
RNA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 C3 Cg 3 6 4 3 1.541 114.996 179.46 0.3300
9 H3 H1 E 8 6 4 1.091 109.966 -173.17 0.0000
10 C4 Cg 3 8 6 4 1.543 108.602 -52.73 0.1670
11 H4 H1 E 10 8 6 1.091 108.011 -66.83 0.0000
12 C5 Cg 3 10 8 6 1.545 113.659 53.52 0.4040
13 H5 H1 E 12 10 8 1.092 109.059 65.09 0.0000
14 C6 Cg 3 12 10 8 1.535 113.747 -172.97 0.2800
15 H62 H1 E 14 12 10 1.090 110.540 -56.41 0.0000
16 H61 H1 E 14 12 10 1.091 110.668 63.75 0.0000
17 O6 Os E 14 12 10 1.434 109.011 -175.88 -0.4610
18 O5 Os E 12 10 8 1.489 108.589 -53.11 -0.6110
19 O4 Os E 10 8 6 1.439 109.206 176.30 -0.4830
20 O3 Oh S 8 6 4 1.445 109.604 67.22 -0.7140
21 H3O Ho E 20 8 6 0.960 109.446 176.58 0.4410
22 O2 Os M 6 4 3 1.439 110.664 -54.19 -0.4470
LOOP
O5 C1
DONE
RNB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Os E 9 7 6 1.438 109.178 57.79 -0.4650
13 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
14 H4 H1 E 13 7 6 1.091 108.641 63.49 0.0000
15 O4 Os E 13 7 6 1.447 110.674 -178.31 -0.4710
16 C3 Cg M 13 7 6 1.546 111.303 -56.16 0.2340
17 H3 H1 E 16 13 7 1.092 109.685 177.82 0.0000
18 O3 Oh S 16 13 7 1.458 109.719 -63.09 -0.6150
19 H3O Ho E 18 16 13 0.967 107.516 169.04 0.3890
20 C2 Cg M 16 13 7 1.544 109.920 57.50 0.3010
21 H2 H1 E 20 16 13 1.093 108.226 64.66 0.0000
22 O2 Os M 20 16 13 1.458 109.185 -178.16 -0.4730
LOOP
C2 C1
DONE
ROH for aglycon
ROH INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 HO1 Ho M 3 2 1 9.377 124.134 -168.39 0.4450
5 O1 Oh M 4 3 2 0.960 137.664 103.52 -0.6390
DONE
RTA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 C3 Cg 3 6 4 3 1.545 112.024 178.31 0.1240
9 H3 H1 E 8 6 4 1.091 106.708 69.61 0.0000
10 C4 Cg 3 8 6 4 1.543 114.910 -48.48 0.4340
11 H4 H1 E 10 8 6 1.091 109.633 172.69 0.0000
12 C5 Cg 3 10 8 6 1.544 109.739 52.34 0.1570
13 H5 H1 E 12 10 8 1.092 107.463 63.77 0.0000
14 C6 Cg 3 12 10 8 1.535 114.896 -176.35 0.3040
15 H62 H1 E 14 12 10 1.090 110.263 -52.86 0.0000
16 H61 H1 E 14 12 10 1.091 110.896 67.37 0.0000
17 O6 Os E 14 12 10 1.434 108.863 -172.31 -0.4620
18 O5 Os E 12 10 8 1.488 109.541 -53.52 -0.4800
19 O4 Os E 10 8 6 1.443 110.261 -67.82 -0.5080
20 O3 Oh S 8 6 4 1.439 110.774 -174.86 -0.6870
21 H3O Ho E 20 8 6 0.960 109.479 -54.69 0.4420
22 O2 Os M 6 4 3 1.440 106.453 57.61 -0.4130
LOOP
O5 C1
DONE
RTB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Os E 9 7 6 1.434 108.837 64.00 -0.4540
13 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
14 H4 H1 E 13 7 6 1.091 109.475 -172.25 0.0000
15 O4 Os E 13 7 6 1.443 108.917 69.31 -0.4070
16 C3 Cg M 13 7 6 1.547 110.218 -51.66 0.1740
17 H3 H1 E 16 13 7 1.091 106.762 -67.21 0.0000
18 O3 Oh S 16 13 7 1.439 110.707 177.22 -0.6780
19 H3O Ho E 18 16 13 0.960 109.373 -64.34 0.4250
20 C2 Cg M 16 13 7 1.545 114.890 50.96 0.3400
21 H2 H1 E 20 16 13 1.091 109.957 -172.30 0.0000
22 O2 Os M 20 16 13 1.444 109.766 67.90 -0.4340
LOOP
C2 C1
DONE
ReA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Os E 9 7 6 1.434 108.916 -64.43 -0.4510
13 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
14 H4 H1 E 13 7 6 1.091 108.456 -65.22 0.0000
15 O4 Os E 13 7 6 1.439 109.886 177.28 -0.5000
16 C3 Cg M 13 7 6 1.544 113.133 54.81 0.3280
17 H3 H1 E 16 13 7 1.091 109.843 -174.05 0.0000
18 O3 Oh S 16 13 7 1.442 110.012 67.08 -0.7140
19 H3O Ho E 18 16 13 0.960 109.461 179.72 0.4200
20 C2 Cg M 16 13 7 1.541 111.809 -51.50 0.1790
21 H2 H1 E 20 16 13 1.092 109.967 169.74 0.0000
22 O2 Os M 20 16 13 1.437 107.327 -73.67 -0.4370
LOOP
C2 C1
DONE
ReB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 C3 Cg 3 6 4 3 1.540 108.887 135.69 0.3150
9 H3 H1 E 8 6 4 1.091 109.473 176.26 0.0000
10 C4 Cg 3 8 6 4 1.554 111.264 55.47 0.3200
11 H4 H1 E 10 8 6 1.091 108.716 63.72 0.0000
12 C5 Cg 3 10 8 6 1.549 111.196 -55.77 0.2570
13 H5 H1 E 12 10 8 1.092 109.111 -65.44 0.0000
14 C6 Cg 3 12 10 8 1.541 112.018 174.42 0.2780
15 H61 H1 E 14 12 10 1.090 110.614 60.34 0.0000
16 H62 H1 E 14 12 10 1.091 110.136 -59.38 0.0000
17 O6 Os E 14 12 10 1.439 109.977 -179.42 -0.4630
18 O5 Os E 12 10 8 1.501 109.730 53.07 -0.5320
19 O4 Os E 10 8 6 1.457 110.079 -178.65 -0.4980
20 O3 Oh S 8 6 4 1.454 108.210 -66.23 -0.6810
21 H3O Ho E 20 8 6 0.965 108.397 172.17 0.4030
22 O2 Os M 6 4 3 1.463 112.571 -104.80 -0.4590
LOOP
O5 C1
DONE
RgA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Os E 9 7 6 1.444 110.823 -72.03 -0.4580
13 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
14 H4 H1 E 13 7 6 1.092 109.342 -68.48 0.0000
15 O4 Os E 13 7 6 1.451 108.995 172.71 -0.4680
16 C3 Cg M 13 7 6 1.547 111.254 52.54 0.2860
17 H3 H1 E 16 13 7 1.092 109.616 66.99 0.0000
18 O3 Oh S 16 13 7 1.452 108.604 -174.42 -0.6990
19 H3O Ho E 18 16 13 0.967 107.382 165.20 0.4270
20 C2 Cg M 16 13 7 1.543 112.114 -54.50 0.2460
21 H2 H1 E 20 16 13 1.091 108.373 -65.99 0.0000
22 O2 Os M 20 16 13 1.465 110.086 176.46 -0.4700
LOOP
C2 C1
DONE
RgB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 C3 Cg 3 6 4 3 1.545 110.380 140.59 0.2840
9 H3 H1 E 8 6 4 1.092 109.008 -69.00 0.0000
10 C4 Cg 3 8 6 4 1.548 112.113 51.91 0.2760
11 H4 H1 E 10 8 6 1.092 109.378 67.39 0.0000
12 C5 Cg 3 10 8 6 1.543 111.306 -53.55 0.2250
13 H5 H1 E 12 10 8 1.092 109.126 -64.00 0.0000
14 C6 Cg 3 12 10 8 1.541 112.515 175.39 0.2820
15 H61 H1 E 14 12 10 1.090 110.609 61.43 0.0000
16 H62 H1 E 14 12 10 1.091 110.212 -58.37 0.0000
17 O6 Os E 14 12 10 1.440 109.810 -178.39 -0.4580
18 O5 Os E 12 10 8 1.495 108.909 54.04 -0.4710
19 O4 Os E 10 8 6 1.448 109.104 -173.75 -0.4680
20 O3 Oh S 8 6 4 1.454 109.219 172.60 -0.7090
21 H3O Ho E 20 8 6 0.967 107.396 52.27 0.4320
22 O2 Os M 6 4 3 1.458 110.080 20.25 -0.4750
LOOP
O5 C1
DONE
RkA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Os E 9 7 6 1.434 108.908 -64.18 -0.4630
13 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
14 H4 H1 E 13 7 6 1.091 109.347 173.46 0.0000
15 O4 Os E 13 7 6 1.440 109.315 -68.60 -0.4860
16 C3 Cg M 13 7 6 1.541 113.058 50.90 0.3540
17 H3 H1 E 16 13 7 1.091 110.148 -170.51 0.0000
18 O3 Oh S 16 13 7 1.440 107.217 72.05 -0.7440
19 H3O Ho E 18 16 13 0.960 109.437 179.14 0.4360
20 C2 Cg M 16 13 7 1.544 111.196 -48.50 0.2810
21 H2 H1 E 20 16 13 1.091 106.696 -68.80 0.0000
22 O2 Os M 20 16 13 1.439 110.836 175.80 -0.4830
LOOP
C2 C1
DONE
RkB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 C3 Cg 3 6 4 3 1.547 110.415 140.23 0.2530
9 H3 H1 E 8 6 4 1.091 109.195 174.71 0.0000
10 C4 Cg 3 8 6 4 1.545 111.988 53.40 0.2170
11 H4 H1 E 10 8 6 1.091 109.393 -172.98 0.0000
12 C5 Cg 3 10 8 6 1.553 111.117 -52.75 0.3030
13 H5 H1 E 12 10 8 1.092 107.789 -66.12 0.0000
14 C6 Cg 3 12 10 8 1.542 113.025 175.07 0.2590
15 H61 H1 E 14 12 10 1.090 110.096 53.77 0.0000
16 H62 H1 E 14 12 10 1.090 110.533 -65.83 0.0000
17 O6 Os E 14 12 10 1.441 110.162 173.71 -0.4480
18 O5 Os E 12 10 8 1.499 110.891 51.77 -0.5140
19 O4 Os E 10 8 6 1.455 108.780 69.68 -0.4690
20 O3 Oh S 8 6 4 1.452 110.271 -66.88 -0.7100
21 H3O Ho E 20 8 6 0.968 107.267 -52.72 0.4420
22 O2 Os M 6 4 3 1.462 111.766 18.28 -0.4780
LOOP
O5 C1
DONE
RlA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Os E 9 7 6 1.434 108.858 -64.45 -0.4600
13 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
14 H4 H1 E 13 7 6 1.091 109.671 175.54 0.0000
15 O4 Os E 13 7 6 1.445 108.372 -65.83 -0.4310
16 C3 Cg M 13 7 6 1.544 110.422 54.45 0.2530
17 H3 H1 E 16 13 7 1.091 108.559 66.00 0.0000
18 O3 Oh S 16 13 7 1.440 109.147 -176.39 -0.7010
19 H3O Ho E 18 16 13 0.960 109.438 -179.39 0.4330
20 C2 Cg M 16 13 7 1.541 111.714 -54.48 0.3390
21 H2 H1 E 20 16 13 1.091 108.995 -66.63 0.0000
22 O2 Os M 20 16 13 1.440 110.049 175.31 -0.4870
LOOP
C2 C1
DONE
RlB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 C3 Cg 3 6 4 3 1.547 110.130 140.44 0.2590
9 H3 H1 E 8 6 4 1.092 108.676 -66.21 0.0000
10 C4 Cg 3 8 6 4 1.546 112.254 53.31 0.2030
11 H4 H1 E 10 8 6 1.091 109.260 -175.38 0.0000
12 C5 Cg 3 10 8 6 1.545 110.517 -55.04 0.1400
13 H5 H1 E 12 10 8 1.092 107.648 -63.90 0.0000
14 C6 Cg 3 12 10 8 1.539 113.155 176.88 0.3190
15 H61 H1 E 14 12 10 1.090 110.337 53.86 0.0000
16 H62 H1 E 14 12 10 1.091 110.848 -66.38 0.0000
17 O6 Os E 14 12 10 1.437 109.027 173.44 -0.4680
18 O5 Os E 12 10 8 1.495 110.103 53.62 -0.4020
19 O4 Os E 10 8 6 1.449 109.638 65.91 -0.4210
20 O3 Oh S 8 6 4 1.455 110.815 175.60 -0.6940
21 H3O Ho E 20 8 6 0.967 107.449 52.82 0.4330
22 O2 Os M 6 4 3 1.459 109.860 20.73 -0.4880
LOOP
O5 C1
DONE
RmA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Os E 9 7 6 1.444 110.952 -70.49 -0.4600
13 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
14 H4 H1 E 13 7 6 1.091 109.924 -69.18 0.0000
15 O4 Os E 13 7 6 1.452 108.824 171.70 -0.4890
16 C3 Cg M 13 7 6 1.549 110.605 52.31 0.2520
17 H3 H1 E 16 13 7 1.092 108.663 62.49 0.0000
18 O3 Oh S 16 13 7 1.461 110.813 -179.59 -0.6960
19 H3O Ho E 18 16 13 0.964 109.699 -161.58 0.4310
20 C2 Cg M 16 13 7 1.545 111.609 -57.15 0.2450
21 H2 H1 E 20 16 13 1.091 109.207 175.17 0.0000
22 O2 Os M 20 16 13 1.459 109.731 -66.73 -0.4650
LOOP
C2 C1
DONE
RmB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 C3 Cg 3 6 4 3 1.547 107.300 140.06 0.2630
9 H3 H1 E 8 6 4 1.092 107.890 -58.13 0.0000
10 C4 Cg 3 8 6 4 1.553 110.623 60.52 0.3490
11 H4 H1 E 10 8 6 1.091 109.997 63.90 0.0000
12 C5 Cg 3 10 8 6 1.550 110.419 -57.43 0.2060
13 H5 H1 E 12 10 8 1.092 108.705 -67.76 0.0000
14 C6 Cg 3 12 10 8 1.539 111.873 172.30 0.2730
15 H61 H1 E 14 12 10 1.090 110.558 59.60 0.0000
16 H62 H1 E 14 12 10 1.091 110.262 -60.18 0.0000
17 O6 Os E 14 12 10 1.439 109.850 179.68 -0.4550
18 O5 Os E 12 10 8 1.498 110.843 50.51 -0.3930
19 O4 Os E 10 8 6 1.452 109.624 -176.73 -0.4970
20 O3 Oh S 8 6 4 1.457 110.746 -174.70 -0.6920
21 H3O Ho E 20 8 6 0.962 109.624 154.41 0.4300
22 O2 Os M 6 4 3 1.459 109.767 -99.50 -0.4270
LOOP
O5 C1
DONE
RnA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Os E 9 7 6 1.434 109.011 -63.74 -0.4610
13 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
14 H4 H1 E 13 7 6 1.091 108.424 -67.01 0.0000
15 O4 Os E 13 7 6 1.439 109.651 175.64 -0.4830
16 C3 Cg M 13 7 6 1.543 113.659 53.11 0.3300
17 H3 H1 E 16 13 7 1.091 110.022 -173.93 0.0000
18 O3 Oh S 16 13 7 1.445 109.798 66.31 -0.7140
19 H3O Ho E 18 16 13 0.960 109.446 64.20 0.4410
20 C2 Cg M 16 13 7 1.541 108.602 -53.52 0.2280
21 H2 H1 E 20 16 13 1.091 106.837 -65.32 0.0000
22 O2 Os M 20 16 13 1.439 110.703 179.06 -0.4470
LOOP
C2 C1
DONE
RnB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 C3 Cg 3 6 4 3 1.544 110.844 141.66 0.2340
9 H3 H1 E 8 6 4 1.092 109.398 175.17 0.0000
10 C4 Cg 3 8 6 4 1.546 109.920 54.68 0.2860
11 H4 H1 E 10 8 6 1.091 108.699 62.12 0.0000
12 C5 Cg 3 10 8 6 1.547 111.303 -57.50 0.1980
13 H5 H1 E 12 10 8 1.091 109.233 -61.92 0.0000
14 C6 Cg 3 12 10 8 1.541 112.741 177.70 0.3130
15 H61 H1 E 14 12 10 1.090 110.689 61.33 0.0000
16 H62 H1 E 14 12 10 1.090 110.338 -58.85 0.0000
17 O6 Os E 14 12 10 1.438 109.178 -178.76 -0.4650
18 O5 Os E 12 10 8 1.500 108.536 56.16 -0.5070
19 O4 Os E 10 8 6 1.447 109.608 179.74 -0.4710
20 O3 Oh S 8 6 4 1.458 109.599 -65.98 -0.6150
21 H3O Ho E 20 8 6 0.967 107.516 -48.26 0.3890
22 O2 Os M 6 4 3 1.458 111.714 19.64 -0.4730
LOOP
O5 C1
DONE
RtA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Os E 9 7 6 1.434 108.863 -64.48 -0.4620
13 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
14 H4 H1 E 13 7 6 1.091 109.540 173.93 0.0000
15 O4 Os E 13 7 6 1.443 109.067 -67.36 -0.5080
16 C3 Cg M 13 7 6 1.543 109.739 53.52 0.1240
17 H3 H1 E 16 13 7 1.091 106.734 65.74 0.0000
18 O3 Oh S 16 13 7 1.439 110.707 -178.75 -0.6870
19 H3O Ho E 18 16 13 0.960 109.479 -176.63 0.4420
20 C2 Cg M 16 13 7 1.545 114.910 -52.34 0.2450
21 H2 H1 E 20 16 13 1.091 109.723 171.12 0.0000
22 O2 Os M 20 16 13 1.440 110.347 -69.94 -0.4130
LOOP
C2 C1
DONE
RtB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 C3 Cg 3 6 4 3 1.545 108.990 139.13 0.1740
9 H3 H1 E 8 6 4 1.091 106.777 -66.52 0.0000
10 C4 Cg 3 8 6 4 1.547 114.890 51.64 0.3140
11 H4 H1 E 10 8 6 1.091 109.570 -171.49 0.0000
12 C5 Cg 3 10 8 6 1.547 110.218 -50.96 0.0310
13 H5 H1 E 12 10 8 1.092 107.394 -65.47 0.0000
14 C6 Cg 3 12 10 8 1.535 115.137 174.64 0.3490
15 H61 H1 E 14 12 10 1.090 110.278 53.24 0.0000
16 H62 H1 E 14 12 10 1.091 110.886 -67.01 0.0000
17 O6 Os E 14 12 10 1.434 108.837 172.73 -0.4540
18 O5 Os E 12 10 8 1.487 109.426 51.66 -0.3540
19 O4 Os E 10 8 6 1.443 110.169 69.26 -0.4070
20 O3 Oh S 8 6 4 1.439 110.677 177.92 -0.6780
21 H3O Ho E 20 8 6 0.960 109.373 -64.24 0.4250
22 O2 Os M 6 4 3 1.444 109.193 -100.97 -0.4340
LOOP
O5 C1
DONE
SEA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 C3 Cg 3 6 4 3 1.541 114.896 172.06 0.3280
9 H3 H1 E 8 6 4 1.091 110.106 -167.45 0.0000
10 C4 Cg 3 8 6 4 1.544 111.809 -45.05 0.2610
11 H4 H1 E 10 8 6 1.091 108.188 -68.68 0.0000
12 C5 Cg 3 10 8 6 1.541 113.133 51.50 0.3740
13 H5 H1 E 12 10 8 1.092 109.237 63.30 0.0000
14 C6 Cg 3 12 10 8 1.535 114.012 -174.39 0.2590
15 H62 H1 E 14 12 10 1.090 110.525 -56.55 0.0000
16 H61 H1 E 14 12 10 1.091 110.727 63.66 0.0000
17 O6 Os E 14 12 10 1.434 108.916 -175.95 -0.4510
18 O5 Os E 12 10 8 1.485 107.816 -54.81 -0.5870
19 O4 Oh S 10 8 6 1.439 109.304 174.29 -0.7210
20 H4O Ho E 19 10 8 0.960 109.412 -61.37 0.4150
21 O3 Os E 8 6 4 1.442 106.866 75.38 -0.4880
22 O2 Os M 6 4 3 1.437 106.903 53.10 -0.4370
LOOP
O5 C1
DONE
SEB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Os E 9 7 6 1.439 109.977 57.72 -0.4630
13 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
14 H4 H1 E 13 7 6 1.091 108.584 66.50 0.0000
15 O4 Oh S 13 7 6 1.457 110.564 -175.67 -0.7240
16 H4O Ho E 15 13 7 0.964 110.039 -157.92 0.4200
17 C3 Cg M 13 7 6 1.554 111.196 -53.07 0.3150
18 H3 H1 E 17 13 7 1.091 109.198 176.72 0.0000
19 O3 Os E 17 13 7 1.454 110.601 -64.53 -0.4720
20 C2 Cg M 17 13 7 1.540 111.264 55.77 0.1840
21 H2 H1 E 20 17 13 1.091 109.856 -175.33 0.0000
22 O2 Os M 20 17 13 1.463 107.825 66.95 -0.4590
LOOP
C2 C1
DONE
SGA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 C3 Cg 3 6 4 3 1.543 111.424 -164.87 0.2860
9 H3 H1 E 8 6 4 1.092 109.239 69.49 0.0000
10 C4 Cg 3 8 6 4 1.547 112.114 -52.22 0.2540
11 H4 H1 E 10 8 6 1.092 109.454 -66.45 0.0000
12 C5 Cg 3 10 8 6 1.543 111.254 54.50 0.2830
13 H5 H1 E 12 10 8 1.092 108.261 65.38 0.0000
14 C6 Cg 3 12 10 8 1.546 112.538 -174.79 0.2760
15 H62 H1 E 14 12 10 1.090 110.682 -45.93 0.0000
16 H61 H1 E 14 12 10 1.091 110.014 73.31 0.0000
17 O6 Os E 14 12 10 1.444 110.823 -165.78 -0.4580
18 O5 Os E 12 10 8 1.500 109.539 -52.54 -0.5740
19 O4 Oh S 10 8 6 1.451 108.956 174.69 -0.7100
20 H4O Ho E 19 10 8 0.968 107.227 50.66 0.4360
21 O3 Os E 8 6 4 1.452 108.531 -172.18 -0.4660
22 O2 Os M 6 4 3 1.465 111.499 -41.43 -0.4700
LOOP
O5 C1
DONE
SGB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Os E 9 7 6 1.440 109.810 57.27 -0.4580
13 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
14 H4 H1 E 13 7 6 1.092 109.352 66.92 0.0000
15 O4 Oh S 13 7 6 1.448 108.899 -174.36 -0.7140
16 H4O Ho E 15 13 7 0.967 107.435 172.17 0.4400
17 C3 Cg M 13 7 6 1.548 111.306 -54.04 0.2840
18 H3 H1 E 17 13 7 1.092 109.104 -67.30 0.0000
19 O3 Os E 17 13 7 1.454 108.817 174.47 -0.4710
20 C2 Cg M 17 13 7 1.545 112.113 53.55 0.3100
21 H2 H1 E 20 17 13 1.092 109.394 68.33 0.0000
22 O2 Os M 20 17 13 1.458 108.975 -172.91 -0.4750
LOOP
C2 C1
DONE
SKA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 C3 Cg 3 6 4 3 1.544 115.219 178.76 0.3540
9 H3 H1 E 8 6 4 1.091 109.846 -171.16 0.0000
10 C4 Cg 3 8 6 4 1.541 111.196 -48.97 0.1960
11 H4 H1 E 10 8 6 1.091 109.723 170.85 0.0000
12 C5 Cg 3 10 8 6 1.549 113.058 48.50 0.3010
13 H5 H1 E 12 10 8 1.092 107.347 66.38 0.0000
14 C6 Cg 3 12 10 8 1.535 114.885 -173.99 0.2870
15 H62 H1 E 14 12 10 1.090 110.246 -52.70 0.0000
16 H61 H1 E 14 12 10 1.091 110.887 67.51 0.0000
17 O6 Os E 14 12 10 1.434 108.908 -172.15 -0.4630
18 O5 Os E 12 10 8 1.489 109.902 -50.90 -0.5400
19 O4 Oh S 10 8 6 1.440 107.338 -72.13 -0.7120
20 H4O Ho E 19 10 8 0.960 109.466 -178.56 0.4200
21 O3 Os E 8 6 4 1.440 110.218 69.79 -0.5020
22 O2 Os M 6 4 3 1.439 110.808 -54.40 -0.4830
LOOP
O5 C1
DONE
SKB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Os E 9 7 6 1.441 110.162 62.18 -0.4480
13 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
14 H4 H1 E 13 7 6 1.091 108.867 -172.31 0.0000
15 O4 Oh S 13 7 6 1.455 110.952 69.39 -0.7000
16 H4O Ho E 15 13 7 0.964 110.377 163.16 0.4250
17 C3 Cg M 13 7 6 1.545 111.117 -51.77 0.2530
18 H3 H1 E 17 13 7 1.091 109.391 173.95 0.0000
19 O3 Os E 17 13 7 1.452 107.992 -68.85 -0.4620
20 C2 Cg M 17 13 7 1.547 111.988 52.75 0.3080
21 H2 H1 E 20 17 13 1.091 108.509 65.85 0.0000
22 O2 Os M 20 17 13 1.462 109.337 -176.76 -0.4780
LOOP
C2 C1
DONE
SLA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 C3 Cg 3 6 4 3 1.541 112.432 -178.15 0.2530
9 H3 H1 E 8 6 4 1.091 109.206 67.02 0.0000
10 C4 Cg 3 8 6 4 1.544 111.714 -53.08 0.2040
11 H4 H1 E 10 8 6 1.091 109.766 175.51 0.0000
12 C5 Cg 3 10 8 6 1.544 110.422 54.48 0.2160
13 H5 H1 E 12 10 8 1.092 107.514 62.91 0.0000
14 C6 Cg 3 12 10 8 1.535 114.934 -177.18 0.3080
15 H62 H1 E 14 12 10 1.090 110.251 -53.15 0.0000
16 H61 H1 E 14 12 10 1.091 110.918 67.08 0.0000
17 O6 Os E 14 12 10 1.434 108.858 -172.60 -0.4600
18 O5 Os E 12 10 8 1.490 109.289 -54.45 -0.5270
19 O4 Oh S 10 8 6 1.445 109.785 -64.95 -0.6730
20 H4O Ho E 19 10 8 0.960 109.470 179.80 0.4360
21 O3 Os E 8 6 4 1.440 110.035 -174.48 -0.4620
22 O2 Os M 6 4 3 1.440 109.403 -55.56 -0.4870
LOOP
O5 C1
DONE
SLB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Os E 9 7 6 1.437 109.027 63.12 -0.4680
13 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
14 H4 H1 E 13 7 6 1.091 109.333 -173.92 0.0000
15 O4 Oh S 13 7 6 1.449 109.628 67.34 -0.6640
16 H4O Ho E 15 13 7 0.967 107.158 -172.89 0.4370
17 C3 Cg M 13 7 6 1.546 110.517 -53.62 0.2590
18 H3 H1 E 17 13 7 1.092 108.098 -64.81 0.0000
19 O3 Os E 17 13 7 1.455 109.126 178.29 -0.4550
20 C2 Cg M 17 13 7 1.547 112.254 55.04 0.3570
21 H2 H1 E 20 17 13 1.092 109.716 67.43 0.0000
22 O2 Os M 20 17 13 1.459 108.705 -173.71 -0.4880
LOOP
C2 C1
DONE
SMA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 C3 Cg 3 6 4 3 1.545 110.571 -158.93 0.2520
9 H3 H1 E 8 6 4 1.092 108.528 64.93 0.0000
10 C4 Cg 3 8 6 4 1.549 111.609 -54.79 0.3260
11 H4 H1 E 10 8 6 1.091 109.865 -64.38 0.0000
12 C5 Cg 3 10 8 6 1.546 110.605 57.15 0.2760
13 H5 H1 E 12 10 8 1.092 108.214 65.71 0.0000
14 C6 Cg 3 12 10 8 1.544 112.153 -174.59 0.2660
15 H62 H1 E 14 12 10 1.090 110.579 -46.84 0.0000
16 H61 H1 E 14 12 10 1.091 110.051 72.33 0.0000
17 O6 Os E 14 12 10 1.444 110.952 -166.67 -0.4600
18 O5 Os E 12 10 8 1.497 110.394 -52.31 -0.5070
19 O4 Oh S 10 8 6 1.452 108.734 176.59 -0.7330
20 H4O Ho E 19 10 8 0.966 107.267 52.91 0.4380
21 O3 Os E 8 6 4 1.461 109.595 -177.93 -0.4590
22 O2 Os M 6 4 3 1.459 110.007 79.71 -0.4650
LOOP
O5 C1
DONE
SMB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Os E 9 7 6 1.439 109.850 57.44 -0.4550
13 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
14 H4 H1 E 13 7 6 1.091 109.789 70.94 0.0000
15 O4 Oh S 13 7 6 1.452 108.352 -170.58 -0.7460
16 H4O Ho E 15 13 7 0.963 108.380 -159.72 0.4430
17 C3 Cg M 13 7 6 1.553 110.419 -50.51 0.2630
18 H3 H1 E 17 13 7 1.092 108.588 -60.79 0.0000
19 O3 Os E 17 13 7 1.457 111.995 -178.50 -0.4560
20 C2 Cg M 17 13 7 1.547 110.623 57.43 0.2410
21 H2 H1 E 20 17 13 1.091 110.076 180.00 0.0000
22 O2 Os M 20 17 13 1.459 110.769 59.28 -0.4270
LOOP
C2 C1
DONE
SNA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 C3 Cg 3 6 4 3 1.541 114.996 179.46 0.3300
9 H3 H1 E 8 6 4 1.091 109.966 -173.17 0.0000
10 C4 Cg 3 8 6 4 1.543 108.602 -52.73 0.1670
11 H4 H1 E 10 8 6 1.091 108.011 -66.83 0.0000
12 C5 Cg 3 10 8 6 1.545 113.659 53.52 0.4040
13 H5 H1 E 12 10 8 1.092 109.059 65.09 0.0000
14 C6 Cg 3 12 10 8 1.535 113.747 -172.97 0.2800
15 H62 H1 E 14 12 10 1.090 110.540 -56.41 0.0000
16 H61 H1 E 14 12 10 1.091 110.668 63.75 0.0000
17 O6 Os E 14 12 10 1.434 109.011 -175.88 -0.4610
18 O5 Os E 12 10 8 1.489 108.589 -53.11 -0.6110
19 O4 Oh S 10 8 6 1.439 109.206 176.30 -0.7330
20 H4O Ho E 19 10 8 0.960 109.442 -63.39 0.4440
21 O3 Os E 8 6 4 1.445 109.604 67.22 -0.4670
22 O2 Os M 6 4 3 1.439 110.664 -54.19 -0.4470
LOOP
O5 C1
DONE
SNB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Os E 9 7 6 1.438 109.178 57.79 -0.4650
13 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
14 H4 H1 E 13 7 6 1.091 108.641 63.49 0.0000
15 O4 Oh S 13 7 6 1.447 110.674 -178.31 -0.7070
16 H4O Ho E 15 13 7 0.966 108.053 84.25 0.4300
17 C3 Cg M 13 7 6 1.546 111.303 -56.16 0.2340
18 H3 H1 E 17 13 7 1.092 109.685 177.82 0.0000
19 O3 Os E 17 13 7 1.458 109.719 -63.09 -0.4200
20 C2 Cg M 17 13 7 1.544 109.920 57.50 0.3010
21 H2 H1 E 20 17 13 1.093 108.226 64.66 0.0000
22 O2 Os M 20 17 13 1.458 109.185 -178.16 -0.4730
LOOP
C2 C1
DONE
STA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 C3 Cg 3 6 4 3 1.545 112.024 178.31 0.1240
9 H3 H1 E 8 6 4 1.091 106.708 69.61 0.0000
10 C4 Cg 3 8 6 4 1.543 114.910 -48.48 0.4340
11 H4 H1 E 10 8 6 1.091 109.633 172.69 0.0000
12 C5 Cg 3 10 8 6 1.544 109.739 52.34 0.1570
13 H5 H1 E 12 10 8 1.092 107.463 63.77 0.0000
14 C6 Cg 3 12 10 8 1.535 114.896 -176.35 0.3040
15 H62 H1 E 14 12 10 1.090 110.263 -52.86 0.0000
16 H61 H1 E 14 12 10 1.091 110.896 67.37 0.0000
17 O6 Os E 14 12 10 1.434 108.863 -172.31 -0.4620
18 O5 Os E 12 10 8 1.488 109.541 -53.52 -0.4800
19 O4 Oh S 10 8 6 1.443 110.261 -67.82 -0.7310
20 H4O Ho E 19 10 8 0.960 109.459 -179.88 0.4170
21 O3 Os E 8 6 4 1.439 110.774 -174.86 -0.4390
22 O2 Os M 6 4 3 1.440 106.453 57.61 -0.4130
LOOP
O5 C1
DONE
STB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Os E 9 7 6 1.434 108.837 64.00 -0.4540
13 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
14 H4 H1 E 13 7 6 1.091 109.475 -172.25 0.0000
15 O4 Oh S 13 7 6 1.443 108.917 69.31 -0.6260
16 H4O Ho E 15 13 7 0.960 109.455 59.28 0.4130
17 C3 Cg M 13 7 6 1.547 110.218 -51.66 0.1740
18 H3 H1 E 17 13 7 1.091 106.762 -67.21 0.0000
19 O3 Os E 17 13 7 1.439 110.707 177.22 -0.4470
20 C2 Cg M 17 13 7 1.545 114.890 50.96 0.3400
21 H2 H1 E 20 17 13 1.091 109.957 -172.30 0.0000
22 O2 Os M 20 17 13 1.444 109.766 67.90 -0.4340
LOOP
C2 C1
DONE
Sulfate group. Adjust charge on linking oxygen in sugar.
SO3 INT 0
CORRECT OMIT DU BEG
-0.8370
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 S1 S M 3 2 1 10.884 119.491 -167.81 1.2450
5 O1 O2 E 4 3 2 1.446 106.410 -102.07 -0.6940
6 O2 O2 E 4 3 2 1.437 128.086 115.25 -0.6940
7 O3 O2 E 4 3 2 1.446 70.631 7.86 -0.6940
DONE
SeA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Os E 9 7 6 1.434 108.916 -64.43 -0.4510
13 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
14 H4 H1 E 13 7 6 1.091 108.456 -65.22 0.0000
15 O4 Oh S 13 7 6 1.439 109.886 177.28 -0.7210
16 H4O Ho E 15 13 7 0.960 109.412 -63.34 0.4150
17 C3 Cg M 13 7 6 1.544 113.133 54.81 0.3280
18 H3 H1 E 17 13 7 1.091 109.843 -174.05 0.0000
19 O3 Os E 17 13 7 1.442 110.012 67.08 -0.4880
20 C2 Cg M 17 13 7 1.541 111.809 -51.50 0.1790
21 H2 H1 E 20 17 13 1.092 109.967 169.74 0.0000
22 O2 Os M 20 17 13 1.437 107.327 -73.67 -0.4370
LOOP
C2 C1
DONE
SeB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 C3 Cg 3 6 4 3 1.540 108.887 135.69 0.3150
9 H3 H1 E 8 6 4 1.091 109.473 176.26 0.0000
10 C4 Cg 3 8 6 4 1.554 111.264 55.47 0.3200
11 H4 H1 E 10 8 6 1.091 108.716 63.72 0.0000
12 C5 Cg 3 10 8 6 1.549 111.196 -55.77 0.2570
13 H5 H1 E 12 10 8 1.092 109.111 -65.44 0.0000
14 C6 Cg 3 12 10 8 1.541 112.018 174.42 0.2780
15 H61 H1 E 14 12 10 1.090 110.614 60.34 0.0000
16 H62 H1 E 14 12 10 1.091 110.136 -59.38 0.0000
17 O6 Os E 14 12 10 1.439 109.977 -179.42 -0.4630
18 O5 Os E 12 10 8 1.501 109.730 53.07 -0.5320
19 O4 Oh S 10 8 6 1.457 110.079 -178.65 -0.7240
20 H4O Ho E 19 10 8 0.964 110.039 -78.83 0.4200
21 O3 Os E 8 6 4 1.454 108.210 -66.23 -0.4720
22 O2 Os M 6 4 3 1.463 112.571 -104.80 -0.4590
LOOP
O5 C1
DONE
SgA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Os E 9 7 6 1.444 110.823 -72.03 -0.4580
13 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
14 H4 H1 E 13 7 6 1.092 109.342 -68.48 0.0000
15 O4 Oh S 13 7 6 1.451 108.995 172.71 -0.7100
16 H4O Ho E 15 13 7 0.968 107.227 -172.23 0.4360
17 C3 Cg M 13 7 6 1.547 111.254 52.54 0.2860
18 H3 H1 E 17 13 7 1.092 109.616 66.99 0.0000
19 O3 Os E 17 13 7 1.452 108.604 -174.42 -0.4660
20 C2 Cg M 17 13 7 1.543 112.114 -54.50 0.2460
21 H2 H1 E 20 17 13 1.091 108.373 -65.99 0.0000
22 O2 Os M 20 17 13 1.465 110.086 176.46 -0.4700
LOOP
C2 C1
DONE
SgB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 C3 Cg 3 6 4 3 1.545 110.380 140.59 0.2840
9 H3 H1 E 8 6 4 1.092 109.008 -69.00 0.0000
10 C4 Cg 3 8 6 4 1.548 112.113 51.91 0.2760
11 H4 H1 E 10 8 6 1.092 109.378 67.39 0.0000
12 C5 Cg 3 10 8 6 1.543 111.306 -53.55 0.2250
13 H5 H1 E 12 10 8 1.092 109.126 -64.00 0.0000
14 C6 Cg 3 12 10 8 1.541 112.515 175.39 0.2820
15 H61 H1 E 14 12 10 1.090 110.609 61.43 0.0000
16 H62 H1 E 14 12 10 1.091 110.212 -58.37 0.0000
17 O6 Os E 14 12 10 1.440 109.810 -178.39 -0.4580
18 O5 Os E 12 10 8 1.495 108.909 54.04 -0.4710
19 O4 Oh S 10 8 6 1.448 109.104 -173.75 -0.7140
20 H4O Ho E 19 10 8 0.967 107.435 -50.50 0.4400
21 O3 Os E 8 6 4 1.454 109.219 172.60 -0.4710
22 O2 Os M 6 4 3 1.458 110.080 20.25 -0.4750
LOOP
O5 C1
DONE
SkA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Os E 9 7 6 1.434 108.908 -64.18 -0.4630
13 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
14 H4 H1 E 13 7 6 1.091 109.347 173.46 0.0000
15 O4 Oh S 13 7 6 1.440 109.315 -68.60 -0.7120
16 H4O Ho E 15 13 7 0.960 109.466 -58.47 0.4200
17 C3 Cg M 13 7 6 1.541 113.058 50.90 0.3540
18 H3 H1 E 17 13 7 1.091 110.148 -170.51 0.0000
19 O3 Os E 17 13 7 1.440 107.217 72.05 -0.5020
20 C2 Cg M 17 13 7 1.544 111.196 -48.50 0.2810
21 H2 H1 E 20 17 13 1.091 106.696 -68.80 0.0000
22 O2 Os M 20 17 13 1.439 110.836 175.80 -0.4830
LOOP
C2 C1
DONE
SkB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 C3 Cg 3 6 4 3 1.547 110.415 140.23 0.2530
9 H3 H1 E 8 6 4 1.091 109.195 174.71 0.0000
10 C4 Cg 3 8 6 4 1.545 111.988 53.40 0.2170
11 H4 H1 E 10 8 6 1.091 109.393 -172.98 0.0000
12 C5 Cg 3 10 8 6 1.553 111.117 -52.75 0.3030
13 H5 H1 E 12 10 8 1.092 107.789 -66.12 0.0000
14 C6 Cg 3 12 10 8 1.542 113.025 175.07 0.2590
15 H61 H1 E 14 12 10 1.090 110.096 53.77 0.0000
16 H62 H1 E 14 12 10 1.090 110.533 -65.83 0.0000
17 O6 Os E 14 12 10 1.441 110.162 173.71 -0.4480
18 O5 Os E 12 10 8 1.499 110.891 51.77 -0.5140
19 O4 Oh S 10 8 6 1.455 108.780 69.68 -0.7000
20 H4O Ho E 19 10 8 0.964 110.377 74.31 0.4250
21 O3 Os E 8 6 4 1.452 110.271 -66.88 -0.4620
22 O2 Os M 6 4 3 1.462 111.766 18.28 -0.4780
LOOP
O5 C1
DONE
SlA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Os E 9 7 6 1.434 108.858 -64.45 -0.4600
13 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
14 H4 H1 E 13 7 6 1.091 109.671 175.54 0.0000
15 O4 Oh S 13 7 6 1.445 108.372 -65.83 -0.6730
16 H4O Ho E 15 13 7 0.960 109.470 -59.12 0.4360
17 C3 Cg M 13 7 6 1.544 110.422 54.45 0.2530
18 H3 H1 E 17 13 7 1.091 108.559 66.00 0.0000
19 O3 Os E 17 13 7 1.440 109.147 -176.39 -0.4620
20 C2 Cg M 17 13 7 1.541 111.714 -54.48 0.3390
21 H2 H1 E 20 17 13 1.091 108.995 -66.63 0.0000
22 O2 Os M 20 17 13 1.440 110.049 175.31 -0.4870
LOOP
C2 C1
DONE
SlB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 C3 Cg 3 6 4 3 1.547 110.130 140.44 0.2590
9 H3 H1 E 8 6 4 1.092 108.676 -66.21 0.0000
10 C4 Cg 3 8 6 4 1.546 112.254 53.31 0.2030
11 H4 H1 E 10 8 6 1.091 109.260 -175.38 0.0000
12 C5 Cg 3 10 8 6 1.545 110.517 -55.04 0.1400
13 H5 H1 E 12 10 8 1.092 107.648 -63.90 0.0000
14 C6 Cg 3 12 10 8 1.539 113.155 176.88 0.3190
15 H61 H1 E 14 12 10 1.090 110.337 53.86 0.0000
16 H62 H1 E 14 12 10 1.091 110.848 -66.38 0.0000
17 O6 Os E 14 12 10 1.437 109.027 173.44 -0.4680
18 O5 Os E 12 10 8 1.495 110.103 53.62 -0.4020
19 O4 Oh S 10 8 6 1.449 109.638 65.91 -0.6640
20 H4O Ho E 19 10 8 0.967 107.158 51.40 0.4370
21 O3 Os E 8 6 4 1.455 110.815 175.60 -0.4550
22 O2 Os M 6 4 3 1.459 109.860 20.73 -0.4880
LOOP
O5 C1
DONE
SmA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Os E 9 7 6 1.444 110.952 -70.49 -0.4600
13 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
14 H4 H1 E 13 7 6 1.091 109.924 -69.18 0.0000
15 O4 Oh S 13 7 6 1.452 108.824 171.70 -0.7330
16 H4O Ho E 15 13 7 0.966 107.267 -173.46 0.4380
17 C3 Cg M 13 7 6 1.549 110.605 52.31 0.2520
18 H3 H1 E 17 13 7 1.092 108.663 62.49 0.0000
19 O3 Os E 17 13 7 1.461 110.813 -179.59 -0.4590
20 C2 Cg M 17 13 7 1.545 111.609 -57.15 0.2450
21 H2 H1 E 20 17 13 1.091 109.207 175.17 0.0000
22 O2 Os M 20 17 13 1.459 109.731 -66.73 -0.4650
LOOP
C2 C1
DONE
SmB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 C3 Cg 3 6 4 3 1.547 107.300 140.06 0.2630
9 H3 H1 E 8 6 4 1.092 107.890 -58.13 0.0000
10 C4 Cg 3 8 6 4 1.553 110.623 60.52 0.3490
11 H4 H1 E 10 8 6 1.091 109.997 63.90 0.0000
12 C5 Cg 3 10 8 6 1.550 110.419 -57.43 0.2060
13 H5 H1 E 12 10 8 1.092 108.705 -67.76 0.0000
14 C6 Cg 3 12 10 8 1.539 111.873 172.30 0.2730
15 H61 H1 E 14 12 10 1.090 110.558 59.60 0.0000
16 H62 H1 E 14 12 10 1.091 110.262 -60.18 0.0000
17 O6 Os E 14 12 10 1.439 109.850 179.68 -0.4550
18 O5 Os E 12 10 8 1.498 110.843 50.51 -0.3930
19 O4 Oh S 10 8 6 1.452 109.624 -176.73 -0.7460
20 H4O Ho E 19 10 8 0.963 108.380 -79.71 0.4430
21 O3 Os E 8 6 4 1.457 110.746 -174.70 -0.4560
22 O2 Os M 6 4 3 1.459 109.767 -99.50 -0.4270
LOOP
O5 C1
DONE
SnA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Os E 9 7 6 1.434 109.011 -63.74 -0.4610
13 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
14 H4 H1 E 13 7 6 1.091 108.424 -67.01 0.0000
15 O4 Oh S 13 7 6 1.439 109.651 175.64 -0.7330
16 H4O Ho E 15 13 7 0.960 109.442 -61.75 0.4440
17 C3 Cg M 13 7 6 1.543 113.659 53.11 0.3300
18 H3 H1 E 17 13 7 1.091 110.022 -173.93 0.0000
19 O3 Os E 17 13 7 1.445 109.798 66.31 -0.4670
20 C2 Cg M 17 13 7 1.541 108.602 -53.52 0.2280
21 H2 H1 E 20 17 13 1.091 106.837 -65.32 0.0000
22 O2 Os M 20 17 13 1.439 110.703 179.06 -0.4470
LOOP
C2 C1
DONE
SnB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 C3 Cg 3 6 4 3 1.544 110.844 141.66 0.2340
9 H3 H1 E 8 6 4 1.092 109.398 175.17 0.0000
10 C4 Cg 3 8 6 4 1.546 109.920 54.68 0.2860
11 H4 H1 E 10 8 6 1.091 108.699 62.12 0.0000
12 C5 Cg 3 10 8 6 1.547 111.303 -57.50 0.1980
13 H5 H1 E 12 10 8 1.091 109.233 -61.92 0.0000
14 C6 Cg 3 12 10 8 1.541 112.741 177.70 0.3130
15 H61 H1 E 14 12 10 1.090 110.689 61.33 0.0000
16 H62 H1 E 14 12 10 1.090 110.338 -58.85 0.0000
17 O6 Os E 14 12 10 1.438 109.178 -178.76 -0.4650
18 O5 Os E 12 10 8 1.500 108.536 56.16 -0.5070
19 O4 Oh S 10 8 6 1.447 109.608 179.74 -0.7070
20 H4O Ho E 19 10 8 0.966 108.053 38.89 0.4300
21 O3 Os E 8 6 4 1.458 109.599 -65.98 -0.4200
22 O2 Os M 6 4 3 1.458 111.714 19.64 -0.4730
LOOP
O5 C1
DONE
StA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Os E 9 7 6 1.434 108.863 -64.48 -0.4620
13 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
14 H4 H1 E 13 7 6 1.091 109.540 173.93 0.0000
15 O4 Oh S 13 7 6 1.443 109.067 -67.36 -0.7310
16 H4O Ho E 15 13 7 0.960 109.459 -59.56 0.4170
17 C3 Cg M 13 7 6 1.543 109.739 53.52 0.1240
18 H3 H1 E 17 13 7 1.091 106.734 65.74 0.0000
19 O3 Os E 17 13 7 1.439 110.707 -178.75 -0.4390
20 C2 Cg M 17 13 7 1.545 114.910 -52.34 0.2450
21 H2 H1 E 20 17 13 1.091 109.723 171.12 0.0000
22 O2 Os M 20 17 13 1.440 110.347 -69.94 -0.4130
LOOP
C2 C1
DONE
StB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 C3 Cg 3 6 4 3 1.545 108.990 139.13 0.1740
9 H3 H1 E 8 6 4 1.091 106.777 -66.52 0.0000
10 C4 Cg 3 8 6 4 1.547 114.890 51.64 0.3140
11 H4 H1 E 10 8 6 1.091 109.570 -171.49 0.0000
12 C5 Cg 3 10 8 6 1.547 110.218 -50.96 0.0310
13 H5 H1 E 12 10 8 1.092 107.394 -65.47 0.0000
14 C6 Cg 3 12 10 8 1.535 115.137 174.64 0.3490
15 H61 H1 E 14 12 10 1.090 110.278 53.24 0.0000
16 H62 H1 E 14 12 10 1.091 110.886 -67.01 0.0000
17 O6 Os E 14 12 10 1.434 108.837 172.73 -0.4540
18 O5 Os E 12 10 8 1.487 109.426 51.66 -0.3540
19 O4 Oh S 10 8 6 1.443 110.169 69.26 -0.6260
20 H4O Ho E 19 10 8 0.960 109.455 179.72 0.4130
21 O3 Os E 8 6 4 1.439 110.677 177.92 -0.4470
22 O2 Os M 6 4 3 1.444 109.193 -100.97 -0.4340
LOOP
O5 C1
DONE
TAA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.676 79.166 -133.49 0.4480
5 H1 H2 E 4 3 2 1.091 24.223 90.04 0.0000
6 C2 Cg M 4 3 2 1.547 97.401 -30.99 0.2680
7 H2 H1 E 6 4 3 1.092 109.940 -51.47 0.0000
8 C3 Cg 3 6 4 3 1.543 115.075 -176.20 0.3350
9 H3 H1 E 8 6 4 1.091 110.217 -167.01 0.0000
10 C4 Cg 3 8 6 4 1.543 111.532 -44.66 0.2450
11 H4 H1 E 10 8 6 1.091 108.482 -68.58 0.0000
12 C5 Cg 3 10 8 6 1.532 112.944 51.47 0.3790
13 H5E H1 E 12 10 8 1.090 110.447 -175.26 0.0000
14 H5A H1 E 12 10 8 1.091 110.923 64.60 0.0000
15 O5 Os E 12 10 8 1.479 108.551 -55.64 -0.5640
16 O4 Os E 10 8 6 1.437 110.197 173.67 -0.5080
17 O3 Os E 8 6 4 1.441 106.949 75.66 -0.5050
18 O2 Os M 6 4 3 1.437 106.880 64.80 -0.4860
LOOP
O5 C1
DONE
TAB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.397 98.712 -136.08 0.3790
5 H1 H2 E 4 3 2 1.091 66.137 -93.73 0.0000
6 O5 Os M 4 3 2 1.466 132.905 172.33 -0.5290
7 C5 Cg M 6 4 3 1.485 114.414 139.79 0.3560
8 H5E H1 E 7 6 4 1.090 108.916 176.99 0.0000
9 H5A H1 E 7 6 4 1.091 109.188 -65.32 0.0000
10 C4 Cg M 7 6 4 1.546 110.184 56.30 0.2240
11 H4 H1 E 10 7 6 1.091 108.191 65.24 0.0000
12 O4 Os E 10 7 6 1.458 110.447 -177.16 -0.4840
13 C3 Cg M 10 7 6 1.551 111.087 -54.27 0.2970
14 H3 H1 E 13 10 7 1.091 109.244 175.99 0.0000
15 O3 Os E 13 10 7 1.454 109.593 -65.87 -0.4550
16 C2 Cg M 13 10 7 1.543 111.469 54.81 0.3000
17 H2 H1 E 16 13 10 1.091 109.979 -173.48 0.0000
18 O2 Os M 16 13 10 1.460 108.027 68.57 -0.4760
LOOP
C2 C1
DONE
tertbutyl group
TBT INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 10.745 119.465 -168.33 0.0210
5 H1 Hc E 4 3 2 1.084 108.211 82.54 0.0000
6 H2 Hc E 4 3 2 1.086 60.329 -176.28 0.0000
7 H3 Hc E 4 3 2 1.085 143.396 -97.28 0.0000
8 C1 Cg M 4 3 2 1.532 53.399 -19.53 0.1310
9 C3 Cg 3 8 4 3 1.527 109.954 35.69 0.0210
10 H4 Hc E 9 8 4 1.084 110.091 59.31 0.0000
11 H5 Hc E 9 8 4 1.084 110.128 178.37 0.0000
12 H6 Hc E 9 8 4 1.085 111.154 -61.13 0.0000
13 C4 Cg 3 8 4 3 1.532 110.787 -86.04 0.0210
14 H7 Hc E 13 8 4 1.085 110.261 -175.94 0.0000
15 H8 Hc E 13 8 4 1.084 112.174 -55.13 0.0000
16 H9 Hc E 13 8 4 1.085 110.288 64.56 0.0000
17 O1 Os M 8 4 3 1.417 111.139 149.92 -0.3880
DONE
TDA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.544 98.481 -135.71 0.3980
5 H1 H2 E 4 3 2 1.090 143.293 157.80 0.0000
6 C2 Cg M 4 3 2 1.559 100.528 13.66 0.2460
7 H2 H1 E 6 4 3 1.091 109.379 88.56 0.0000
8 C3 Cg 3 6 4 3 1.549 110.494 -31.75 0.1840
9 H3 H1 E 8 6 4 1.091 107.825 63.24 0.0000
10 C4 Cg 3 8 6 4 1.545 111.008 -55.58 0.3510
11 H4 H1 E 10 8 6 1.091 110.279 -64.03 0.0000
12 C5 Cg 3 10 8 6 1.543 110.247 57.45 0.2750
13 H5E H1 E 12 10 8 1.090 110.034 -173.80 0.0000
14 H5A H1 E 12 10 8 1.092 109.852 67.71 0.0000
15 O5 Os E 12 10 8 1.490 111.684 -52.70 -0.4870
16 O4 Os E 10 8 6 1.447 108.954 176.38 -0.4830
17 O3 Os E 8 6 4 1.459 111.377 -179.63 -0.4320
18 O2 Os M 6 4 3 1.458 109.515 -153.38 -0.4400
LOOP
O5 C1
DONE
TDB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.719 100.298 -130.46 0.4480
5 H1 H2 E 4 3 2 1.091 138.149 179.98 0.0000
6 O5 Os M 4 3 2 1.480 43.169 119.64 -0.5190
7 C5 Cg M 6 4 3 1.480 115.118 -158.52 0.2750
8 H5E H1 E 7 6 4 1.090 109.162 177.52 0.0000
9 H5A H1 E 7 6 4 1.092 108.688 -64.77 0.0000
10 C4 Cg M 7 6 4 1.539 110.071 56.42 0.3350
11 H4 H1 E 10 7 6 1.091 109.494 72.24 0.0000
12 O4 Os E 10 7 6 1.436 107.087 -169.38 -0.4670
13 C3 Cg M 10 7 6 1.543 111.797 -50.34 0.2010
14 H3 H1 E 13 10 7 1.092 109.081 -68.08 0.0000
15 O3 Os E 13 10 7 1.440 109.833 173.78 -0.4630
16 C2 Cg M 13 10 7 1.543 112.432 51.79 0.2260
17 H2 H1 E 16 13 10 1.091 110.138 -175.60 0.0000
18 O2 Os M 16 13 10 1.446 109.378 64.40 -0.4240
LOOP
C2 C1
DONE
TEA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 C3 Cg 3 6 4 3 1.541 114.896 172.06 0.3280
9 H3 H1 E 8 6 4 1.091 110.106 -167.45 0.0000
10 C4 Cg 3 8 6 4 1.544 111.809 -45.05 0.2610
11 H4 H1 E 10 8 6 1.091 108.188 -68.68 0.0000
12 C5 Cg 3 10 8 6 1.541 113.133 51.50 0.3740
13 H5 H1 E 12 10 8 1.092 109.237 63.30 0.0000
14 C6 Cg 3 12 10 8 1.535 114.012 -174.39 0.2590
15 H62 H1 E 14 12 10 1.090 110.525 -56.55 0.0000
16 H61 H1 E 14 12 10 1.091 110.727 63.66 0.0000
17 O6 Oh S 14 12 10 1.434 108.916 -175.95 -0.6630
18 H6O Ho E 17 14 12 0.960 109.470 59.69 0.4060
19 O5 Os E 12 10 8 1.485 107.816 -54.81 -0.5870
20 O4 Os E 10 8 6 1.439 109.304 174.29 -0.5000
21 O3 Os E 8 6 4 1.442 106.866 75.38 -0.4880
22 O2 Os M 6 4 3 1.437 106.903 53.10 -0.4370
LOOP
O5 C1
DONE
TEB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Oh S 9 7 6 1.439 109.977 57.72 -0.6770
13 H6O Ho E 12 9 7 0.962 108.042 -50.79 0.4080
14 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
15 H4 H1 E 14 7 6 1.091 108.584 66.50 0.0000
16 O4 Os E 14 7 6 1.457 110.564 -175.67 -0.4980
17 C3 Cg M 14 7 6 1.554 111.196 -53.07 0.3150
18 H3 H1 E 17 14 7 1.091 109.198 176.72 0.0000
19 O3 Os E 17 14 7 1.454 110.601 -64.53 -0.4720
20 C2 Cg M 17 14 7 1.540 111.264 55.77 0.1840
21 H2 H1 E 20 17 14 1.091 109.856 -175.33 0.0000
22 O2 Os M 20 17 14 1.463 107.825 66.95 -0.4590
LOOP
C2 C1
DONE
TFA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.482 98.666 -135.91 0.3990
5 H1 H2 E 4 3 2 1.090 143.009 167.64 0.0000
6 C2 Cg M 4 3 2 1.566 103.719 15.57 0.4560
7 H2 H1 E 6 4 3 1.091 107.661 -140.81 0.0000
8 C3 Cg 3 6 4 3 1.550 109.810 -22.26 0.2280
9 H3 H1 E 8 6 4 1.091 109.256 60.66 0.0000
10 C4 Cg 3 8 6 4 1.549 109.944 -58.35 0.2630
11 H4 H1 E 10 8 6 1.091 108.978 175.77 0.0000
12 C5 Cg 3 10 8 6 1.554 111.442 55.77 0.1870
13 H5 H1 E 12 10 8 1.091 107.126 67.59 0.0000
14 C6 Cg 3 12 10 8 1.531 115.122 -173.47 0.0650
15 H63 Hc E 14 12 10 1.090 111.280 -55.79 0.0000
16 H62 Hc E 14 12 10 1.091 111.136 -175.22 0.0000
17 H61 Hc E 14 12 10 1.091 112.013 64.74 0.0000
18 O5 Os E 12 10 8 1.495 111.650 -50.00 -0.4940
19 O4 Os E 10 8 6 1.452 109.204 -66.42 -0.4860
20 O3 Os E 8 6 4 1.464 112.278 179.81 -0.4610
21 O2 Os M 6 4 3 1.463 112.192 101.91 -0.5450
LOOP
O5 C1
DONE
TFB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 27.023 80.980 -137.29 0.4180
5 H1 H2 E 4 3 2 1.091 89.699 -141.90 0.0000
6 O5 Os M 4 3 2 1.479 135.888 101.36 -0.4420
7 C5 Cg M 6 4 3 1.481 116.331 175.37 0.1060
8 H5 H1 E 7 6 4 1.092 108.301 -57.82 0.0000
9 C6 Cg 3 7 6 4 1.531 108.182 -173.94 0.0920
10 H63 Hc E 9 7 6 1.091 111.199 179.97 0.0000
11 H62 Hc E 9 7 6 1.091 112.070 -59.60 0.0000
12 H61 Hc E 9 7 6 1.091 111.160 60.55 0.0000
13 C4 Cg M 7 6 4 1.543 108.818 59.65 0.2290
14 H4 H1 E 13 7 6 1.091 109.875 -177.36 0.0000
15 O4 Os E 13 7 6 1.445 108.672 63.53 -0.4300
16 C3 Cg M 13 7 6 1.542 109.625 -56.43 0.2550
17 H3 H1 E 16 13 7 1.092 107.830 -66.01 0.0000
18 O3 Os E 16 13 7 1.440 109.284 176.95 -0.4430
19 C2 Cg M 16 13 7 1.542 112.898 54.44 0.3460
20 H2 H1 E 19 16 13 1.092 109.972 72.13 0.0000
21 O2 Os M 19 16 13 1.439 107.835 -168.68 -0.5190
LOOP
C2 C1
DONE
TGA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 C3 Cg 3 6 4 3 1.543 111.424 -164.87 0.2860
9 H3 H1 E 8 6 4 1.092 109.239 69.49 0.0000
10 C4 Cg 3 8 6 4 1.547 112.114 -52.22 0.2540
11 H4 H1 E 10 8 6 1.092 109.454 -66.45 0.0000
12 C5 Cg 3 10 8 6 1.543 111.254 54.50 0.2830
13 H5 H1 E 12 10 8 1.092 108.261 65.38 0.0000
14 C6 Cg 3 12 10 8 1.546 112.538 -174.79 0.2760
15 H62 H1 E 14 12 10 1.090 110.682 -45.93 0.0000
16 H61 H1 E 14 12 10 1.091 110.014 73.31 0.0000
17 O6 Oh S 14 12 10 1.444 110.823 -165.78 -0.6820
18 H6O Ho E 17 14 12 0.960 109.735 78.35 0.4180
19 O5 Os E 12 10 8 1.500 109.539 -52.54 -0.5740
20 O4 Os E 10 8 6 1.451 108.956 174.69 -0.4680
21 O3 Os E 8 6 4 1.452 108.531 -172.18 -0.4660
22 O2 Os M 6 4 3 1.465 111.499 -41.43 -0.4700
LOOP
O5 C1
DONE
TGB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Oh S 9 7 6 1.440 109.810 57.27 -0.6880
13 H6O Ho E 12 9 7 0.962 108.265 -53.10 0.4240
14 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
15 H4 H1 E 14 7 6 1.092 109.352 66.92 0.0000
16 O4 Os E 14 7 6 1.448 108.899 -174.36 -0.4680
17 C3 Cg M 14 7 6 1.548 111.306 -54.04 0.2840
18 H3 H1 E 17 14 7 1.092 109.104 -67.30 0.0000
19 O3 Os E 17 14 7 1.454 108.817 174.47 -0.4710
20 C2 Cg M 17 14 7 1.545 112.113 53.55 0.3100
21 H2 H1 E 20 17 14 1.092 109.394 68.33 0.0000
22 O2 Os M 20 17 14 1.458 108.975 -172.91 -0.4750
LOOP
C2 C1
DONE
THA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.582 98.678 -136.05 0.3940
5 H1 H2 E 4 3 2 1.090 147.150 175.74 0.0000
6 C2 Cg M 4 3 2 1.554 100.578 20.48 0.2480
7 H2 H1 E 6 4 3 1.091 109.542 95.73 0.0000
8 C3 Cg 3 6 4 3 1.545 110.654 -24.92 0.2360
9 H3 H1 E 8 6 4 1.092 108.370 66.81 0.0000
10 C4 Cg 3 8 6 4 1.545 112.380 -53.49 0.1870
11 H4 H1 E 10 8 6 1.091 109.690 -65.16 0.0000
12 C5 Cg 3 10 8 6 1.549 110.317 55.89 0.2790
13 H5 H1 E 12 10 8 1.092 108.902 66.22 0.0000
14 C6 Cg 3 12 10 8 1.530 113.869 -172.74 0.0230
15 H63 Hc E 14 12 10 1.090 111.509 -61.06 0.0000
16 H62 Hc E 14 12 10 1.091 111.314 179.43 0.0000
17 H61 Hc E 14 12 10 1.091 111.668 59.25 0.0000
18 O5 Os E 12 10 8 1.486 110.695 -52.49 -0.4610
19 O4 Os E 10 8 6 1.456 108.727 175.97 -0.4330
20 O3 Os E 8 6 4 1.452 109.719 -175.81 -0.4180
21 O2 Os M 6 4 3 1.456 109.547 -146.01 -0.4430
LOOP
O5 C1
DONE
THB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 29.347 69.123 -148.90 0.3810
5 H1 H2 E 4 3 2 1.091 126.377 48.27 0.0000
6 O5 Os M 4 3 2 1.479 92.197 -66.81 -0.4270
7 C5 Cg M 6 4 3 1.483 115.750 -171.42 0.1720
8 H5 H1 E 7 6 4 1.092 107.917 -63.31 0.0000
9 C6M Cg 3 7 6 4 1.530 107.056 -179.94 0.0390
10 H1M Hc E 9 7 6 1.091 111.297 57.52 0.0000
11 H2M Hc E 9 7 6 1.091 111.709 -62.68 0.0000
12 H3M Hc E 9 7 6 1.091 111.441 177.01 0.0000
13 C4 Cg M 7 6 4 1.547 109.717 55.61 0.3880
14 H4 H1 E 13 7 6 1.092 109.750 73.54 0.0000
15 O4 Os E 13 7 6 1.438 107.632 -167.68 -0.4900
16 C3 Cg M 13 7 6 1.543 112.131 -48.94 0.1820
17 H3 H1 E 16 13 7 1.092 109.049 -68.66 0.0000
18 O3 Os E 16 13 7 1.440 109.818 173.25 -0.4410
19 C2 Cg M 16 13 7 1.542 112.684 51.25 0.2430
20 H2 H1 E 19 16 13 1.091 110.140 -175.78 0.0000
21 O2 Os M 19 16 13 1.446 109.350 64.20 -0.4350
LOOP
C2 C1
DONE
TKA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 C3 Cg 3 6 4 3 1.544 115.219 178.76 0.3540
9 H3 H1 E 8 6 4 1.091 109.846 -171.16 0.0000
10 C4 Cg 3 8 6 4 1.541 111.196 -48.97 0.1960
11 H4 H1 E 10 8 6 1.091 109.723 170.85 0.0000
12 C5 Cg 3 10 8 6 1.549 113.058 48.50 0.3010
13 H5 H1 E 12 10 8 1.092 107.347 66.38 0.0000
14 C6 Cg 3 12 10 8 1.535 114.885 -173.99 0.2870
15 H62 H1 E 14 12 10 1.090 110.246 -52.70 0.0000
16 H61 H1 E 14 12 10 1.091 110.887 67.51 0.0000
17 O6 Oh S 14 12 10 1.434 108.908 -172.15 -0.6910
18 H6O Ho E 17 14 12 0.960 109.471 59.53 0.4220
19 O5 Os E 12 10 8 1.489 109.902 -50.90 -0.5400
20 O4 Os E 10 8 6 1.440 107.338 -72.13 -0.4860
21 O3 Os E 8 6 4 1.440 110.218 69.79 -0.5020
22 O2 Os M 6 4 3 1.439 110.808 -54.40 -0.4830
LOOP
O5 C1
DONE
TKB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Oh S 9 7 6 1.441 110.162 62.18 -0.6700
13 H6O Ho E 12 9 7 0.962 108.273 -57.74 0.4160
14 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
15 H4 H1 E 14 7 6 1.091 108.867 -172.31 0.0000
16 O4 Os E 14 7 6 1.455 110.952 69.39 -0.4690
17 C3 Cg M 14 7 6 1.545 111.117 -51.77 0.2530
18 H3 H1 E 17 14 7 1.091 109.391 173.95 0.0000
19 O3 Os E 17 14 7 1.452 107.992 -68.85 -0.4620
20 C2 Cg M 17 14 7 1.547 111.988 52.75 0.3080
21 H2 H1 E 20 17 14 1.091 108.509 65.85 0.0000
22 O2 Os M 20 17 14 1.462 109.337 -176.76 -0.4780
LOOP
C2 C1
DONE
TLA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 C3 Cg 3 6 4 3 1.541 112.432 -178.15 0.2530
9 H3 H1 E 8 6 4 1.091 109.206 67.02 0.0000
10 C4 Cg 3 8 6 4 1.544 111.714 -53.08 0.2040
11 H4 H1 E 10 8 6 1.091 109.766 175.51 0.0000
12 C5 Cg 3 10 8 6 1.544 110.422 54.48 0.2160
13 H5 H1 E 12 10 8 1.092 107.514 62.91 0.0000
14 C6 Cg 3 12 10 8 1.535 114.934 -177.18 0.3080
15 H62 H1 E 14 12 10 1.090 110.251 -53.15 0.0000
16 H61 H1 E 14 12 10 1.091 110.918 67.08 0.0000
17 O6 Oh S 14 12 10 1.434 108.858 -172.60 -0.6840
18 H6O Ho E 17 14 12 0.960 109.466 59.52 0.4180
19 O5 Os E 12 10 8 1.490 109.289 -54.45 -0.5270
20 O4 Os E 10 8 6 1.445 109.785 -64.95 -0.4310
21 O3 Os E 8 6 4 1.440 110.035 -174.48 -0.4620
22 O2 Os M 6 4 3 1.440 109.403 -55.56 -0.4870
LOOP
O5 C1
DONE
TLB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Oh S 9 7 6 1.437 109.027 63.12 -0.6930
13 H6O Ho E 12 9 7 0.961 107.830 -58.33 0.4190
14 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
15 H4 H1 E 14 7 6 1.091 109.333 -173.92 0.0000
16 O4 Os E 14 7 6 1.449 109.628 67.34 -0.4210
17 C3 Cg M 14 7 6 1.546 110.517 -53.62 0.2590
18 H3 H1 E 17 14 7 1.092 108.098 -64.81 0.0000
19 O3 Os E 17 14 7 1.455 109.126 178.29 -0.4550
20 C2 Cg M 17 14 7 1.547 112.254 55.04 0.3570
21 H2 H1 E 20 17 14 1.092 109.716 67.43 0.0000
22 O2 Os M 20 17 14 1.459 108.705 -173.71 -0.4880
LOOP
C2 C1
DONE
TMA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 C3 Cg 3 6 4 3 1.545 110.571 -158.93 0.2520
9 H3 H1 E 8 6 4 1.092 108.528 64.93 0.0000
10 C4 Cg 3 8 6 4 1.549 111.609 -54.79 0.3260
11 H4 H1 E 10 8 6 1.091 109.865 -64.38 0.0000
12 C5 Cg 3 10 8 6 1.546 110.605 57.15 0.2760
13 H5 H1 E 12 10 8 1.092 108.214 65.71 0.0000
14 C6 Cg 3 12 10 8 1.544 112.153 -174.59 0.2660
15 H62 H1 E 14 12 10 1.090 110.579 -46.84 0.0000
16 H61 H1 E 14 12 10 1.091 110.051 72.33 0.0000
17 O6 Oh S 14 12 10 1.444 110.952 -166.67 -0.6880
18 H6O Ho E 17 14 12 0.960 109.923 72.72 0.4220
19 O5 Os E 12 10 8 1.497 110.394 -52.31 -0.5070
20 O4 Os E 10 8 6 1.452 108.734 176.59 -0.4890
21 O3 Os E 8 6 4 1.461 109.595 -177.93 -0.4590
22 O2 Os M 6 4 3 1.459 110.007 79.71 -0.4650
LOOP
O5 C1
DONE
TMB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Oh S 9 7 6 1.439 109.850 57.44 -0.6800
13 H6O Ho E 12 9 7 0.962 108.414 -55.86 0.4190
14 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
15 H4 H1 E 14 7 6 1.091 109.789 70.94 0.0000
16 O4 Os E 14 7 6 1.452 108.352 -170.58 -0.4970
17 C3 Cg M 14 7 6 1.553 110.419 -50.51 0.2630
18 H3 H1 E 17 14 7 1.092 108.588 -60.79 0.0000
19 O3 Os E 17 14 7 1.457 111.995 -178.50 -0.4560
20 C2 Cg M 17 14 7 1.547 110.623 57.43 0.2410
21 H2 H1 E 20 17 14 1.091 110.076 180.00 0.0000
22 O2 Os M 20 17 14 1.459 110.769 59.28 -0.4270
LOOP
C2 C1
DONE
TNA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 C3 Cg 3 6 4 3 1.541 114.996 179.46 0.3300
9 H3 H1 E 8 6 4 1.091 109.966 -173.17 0.0000
10 C4 Cg 3 8 6 4 1.543 108.602 -52.73 0.1670
11 H4 H1 E 10 8 6 1.091 108.011 -66.83 0.0000
12 C5 Cg 3 10 8 6 1.545 113.659 53.52 0.4040
13 H5 H1 E 12 10 8 1.092 109.059 65.09 0.0000
14 C6 Cg 3 12 10 8 1.535 113.747 -172.97 0.2800
15 H62 H1 E 14 12 10 1.090 110.540 -56.41 0.0000
16 H61 H1 E 14 12 10 1.091 110.668 63.75 0.0000
17 O6 Oh S 14 12 10 1.434 109.011 -175.88 -0.6630
18 H6O Ho E 17 14 12 0.960 109.493 59.88 0.3960
19 O5 Os E 12 10 8 1.489 108.589 -53.11 -0.6110
20 O4 Os E 10 8 6 1.439 109.206 176.30 -0.4830
21 O3 Os E 8 6 4 1.445 109.604 67.22 -0.4670
22 O2 Os M 6 4 3 1.439 110.664 -54.19 -0.4470
LOOP
O5 C1
DONE
TNB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Oh S 9 7 6 1.438 109.178 57.79 -0.6890
13 H6O Ho E 12 9 7 0.962 107.694 -47.58 0.4180
14 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
15 H4 H1 E 14 7 6 1.091 108.641 63.49 0.0000
16 O4 Os E 14 7 6 1.447 110.674 -178.31 -0.4710
17 C3 Cg M 14 7 6 1.546 111.303 -56.16 0.2340
18 H3 H1 E 17 14 7 1.092 109.685 177.82 0.0000
19 O3 Os E 17 14 7 1.458 109.719 -63.09 -0.4200
20 C2 Cg M 17 14 7 1.544 109.920 57.50 0.3010
21 H2 H1 E 20 17 14 1.093 108.226 64.66 0.0000
22 O2 Os M 20 17 14 1.458 109.185 -178.16 -0.4730
LOOP
C2 C1
DONE
TOA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.395 99.023 -130.46 0.3050
5 H1 H2 E 4 3 2 1.090 24.072 100.29 0.0000
6 C2 Cg M 4 3 2 1.563 111.265 10.63 0.4130
7 H2 H1 E 6 4 3 1.091 108.988 73.46 0.0000
8 C3 Cg 3 6 4 3 1.548 110.939 -166.09 0.2510
9 H3 H1 E 8 6 4 1.092 108.206 62.18 0.0000
10 C4 Cg 3 8 6 4 1.551 110.284 -55.76 0.2670
11 H4 H1 E 10 8 6 1.091 109.469 -178.62 0.0000
12 C5 Cg 3 10 8 6 1.540 109.735 61.11 0.0540
13 H5 H1 E 12 10 8 1.092 108.800 60.69 0.0000
14 C6 C B 12 10 8 1.566 106.527 176.50 0.8960
15 O6A O2 E 14 12 10 1.252 116.529 -102.85 -0.8220
16 O6B O2 E 14 12 10 1.255 117.285 72.11 -0.8220
17 O5 Os E 12 10 8 1.515 109.060 -56.67 -0.4240
18 O4 Os E 10 8 6 1.455 111.597 -58.02 -0.4690
19 O3 Os E 8 6 4 1.460 111.666 179.27 -0.5030
20 O2 Os M 6 4 3 1.464 109.237 -44.39 -0.5340
LOOP
O5 C1
DONE
TOB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.376 98.399 -136.27 0.3010
5 H1 H2 E 4 3 2 1.091 69.069 -92.25 0.0000
6 O5 Os M 4 3 2 1.462 130.396 170.60 -0.4140
7 C5 Cg M 6 4 3 1.506 116.408 147.12 0.0490
8 H5 H1 E 7 6 4 1.092 106.456 -59.37 0.0000
9 C6 C B 7 6 4 1.574 118.473 -176.63 0.8380
10 O6B O2 E 9 7 6 1.256 116.247 -176.00 -0.7940
11 O6A O2 E 9 7 6 1.254 118.706 9.49 -0.7940
12 C4 Cg M 7 6 4 1.538 109.239 56.00 0.2600
13 H4 H1 E 12 7 6 1.091 109.884 -175.27 0.0000
14 O4 Os E 12 7 6 1.450 109.662 65.53 -0.4530
15 C3 Cg M 12 7 6 1.548 110.856 -55.41 0.2590
16 H3 H1 E 15 12 7 1.092 108.063 -63.15 0.0000
17 O3 Os E 15 12 7 1.466 108.667 -179.51 -0.4980
18 C2 Cg M 15 12 7 1.553 111.733 55.81 0.3830
19 H2 H1 E 18 15 12 1.091 109.497 69.57 0.0000
20 O2 Os M 18 15 12 1.460 110.302 -170.66 -0.5250
LOOP
C2 C1
DONE
TQA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.541 98.563 -135.84 0.4650
5 H1 H1 E 4 3 2 1.090 143.841 166.97 0.0000
6 C2 Cg M 4 3 2 1.556 100.905 19.24 0.2810
7 H2 H1 E 6 4 3 1.091 107.701 -146.56 0.0000
8 C3 Cg 3 6 4 3 1.550 110.755 -28.22 0.3120
9 H3 H1 E 8 6 4 1.092 109.248 69.54 0.0000
10 C4 Cg 3 8 6 4 1.550 112.115 -52.01 0.2080
11 H4 H1 E 10 8 6 1.092 109.113 -67.92 0.0000
12 C5 Cg 3 10 8 6 1.546 111.848 52.85 0.2340
13 H5 H1 E 12 10 8 1.092 108.966 67.39 0.0000
14 C6 Cg 3 12 10 8 1.531 114.081 -171.50 0.0600
15 H63 Hc E 14 12 10 1.091 111.703 58.97 0.0000
16 H62 Hc E 14 12 10 1.091 111.508 -61.39 0.0000
17 H61 Hc E 14 12 10 1.091 111.279 179.14 0.0000
18 O5 Os E 12 10 8 1.487 110.112 -51.22 -0.5590
19 O4 Os E 10 8 6 1.456 109.169 173.44 -0.4550
20 O3 Os E 8 6 4 1.451 110.060 -171.22 -0.4670
21 O2 Os M 6 4 3 1.464 109.956 96.40 -0.4670
LOOP
O5 C1
DONE
TQB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.690 -136.00 0.3910
5 H1 H1 E 4 3 2 1.091 73.758 -94.90 0.0000
6 O5 Os M 4 3 2 1.461 131.794 163.13 -0.5350
7 C5 Cg M 6 4 3 1.486 115.375 148.89 0.2710
8 H5 H1 E 7 6 4 1.092 108.323 -60.93 0.0000
9 C6 Cg 3 7 6 4 1.530 107.192 -177.83 0.0480
10 H63 Hc E 9 7 6 1.091 111.710 -62.84 0.0000
11 H62 Hc E 9 7 6 1.091 111.509 176.79 0.0000
12 H61 Hc E 9 7 6 1.091 111.262 57.32 0.0000
13 C4 Cg M 7 6 4 1.548 109.336 58.05 0.2500
14 H4 H1 E 13 7 6 1.092 109.232 68.58 0.0000
15 O4 Os E 13 7 6 1.451 108.892 -172.72 -0.4860
16 C3 Cg M 13 7 6 1.549 111.410 -52.29 0.3000
17 H3 H1 E 16 13 7 1.092 108.988 -68.86 0.0000
18 O3 Os E 16 13 7 1.454 108.773 173.08 -0.4630
19 C2 Cg M 16 13 7 1.546 112.577 52.00 0.3230
20 H2 H1 E 19 16 13 1.092 109.469 68.14 0.0000
21 O2 Os M 19 16 13 1.460 109.130 -172.95 -0.4870
LOOP
C2 C1
DONE
TRA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.589 79.139 -133.47 0.4880
5 H1 H2 E 4 3 2 1.090 27.374 95.92 0.0000
6 C2 Cg M 4 3 2 1.547 95.699 -25.09 0.2530
7 H2 H1 E 6 4 3 1.091 106.529 74.90 0.0000
8 C3 Cg 3 6 4 3 1.542 115.155 -166.91 0.3450
9 H3 H1 E 8 6 4 1.091 110.101 -172.87 0.0000
10 C4 Cg 3 8 6 4 1.542 108.334 -52.41 0.1220
11 H4 H1 E 10 8 6 1.091 108.377 -66.41 0.0000
12 C5 Cg 3 10 8 6 1.537 113.340 53.79 0.3770
13 H5E H1 E 12 10 8 1.090 110.366 -174.24 0.0000
14 H5A H1 E 12 10 8 1.091 110.701 65.98 0.0000
15 O5 Os E 12 10 8 1.483 109.246 -54.31 -0.5610
16 O4 Os E 10 8 6 1.437 110.093 175.95 -0.4380
17 O3 Os E 8 6 4 1.445 109.646 67.35 -0.4880
18 O2 Os M 6 4 3 1.439 110.676 -40.46 -0.4860
LOOP
O5 C1
DONE
TRB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.373 98.520 -136.09 0.4810
5 H1 H2 E 4 3 2 1.090 64.264 -93.14 0.0000
6 O5 Os M 4 3 2 1.470 130.910 172.20 -0.5760
7 C5 Cg M 6 4 3 1.488 115.378 141.01 0.3350
8 H5E H1 E 7 6 4 1.090 108.921 174.98 0.0000
9 H5A H1 E 7 6 4 1.091 109.218 -67.32 0.0000
10 C4 Cg M 7 6 4 1.549 109.926 54.38 0.2360
11 H4 H1 E 10 7 6 1.091 108.456 64.34 0.0000
12 O4 Os E 10 7 6 1.453 110.505 -177.82 -0.4780
13 C3 Cg M 10 7 6 1.548 110.878 -55.20 0.2030
14 H3 H1 E 13 10 7 1.091 109.669 178.81 0.0000
15 O3 Os E 13 10 7 1.460 108.674 -62.27 -0.4620
16 C2 Cg M 13 10 7 1.550 108.635 58.91 0.3850
17 H2 H1 E 16 13 10 1.092 108.039 58.75 0.0000
18 O2 Os M 16 13 10 1.459 111.068 175.70 -0.5120
LOOP
C2 C1
DONE
TTA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 C3 Cg 3 6 4 3 1.545 112.024 178.31 0.1240
9 H3 H1 E 8 6 4 1.091 106.708 69.61 0.0000
10 C4 Cg 3 8 6 4 1.543 114.910 -48.48 0.4340
11 H4 H1 E 10 8 6 1.091 109.633 172.69 0.0000
12 C5 Cg 3 10 8 6 1.544 109.739 52.34 0.1570
13 H5 H1 E 12 10 8 1.092 107.463 63.77 0.0000
14 C6 Cg 3 12 10 8 1.535 114.896 -176.35 0.3040
15 H62 H1 E 14 12 10 1.090 110.263 -52.86 0.0000
16 H61 H1 E 14 12 10 1.091 110.896 67.37 0.0000
17 O6 Oh S 14 12 10 1.434 108.863 -172.31 -0.6690
18 H6O Ho E 17 14 12 0.960 109.462 59.57 0.4010
19 O5 Os E 12 10 8 1.488 109.541 -53.52 -0.4800
20 O4 Os E 10 8 6 1.443 110.261 -67.82 -0.5080
21 O3 Os E 8 6 4 1.439 110.774 -174.86 -0.4390
22 O2 Os M 6 4 3 1.440 106.453 57.61 -0.4130
LOOP
O5 C1
DONE
TTB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Oh S 9 7 6 1.434 108.837 64.00 -0.6660
13 H6O Ho E 12 9 7 0.960 109.430 -59.34 0.4060
14 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
15 H4 H1 E 14 7 6 1.091 109.475 -172.25 0.0000
16 O4 Os E 14 7 6 1.443 108.917 69.31 -0.4070
17 C3 Cg M 14 7 6 1.547 110.218 -51.66 0.1740
18 H3 H1 E 17 14 7 1.091 106.762 -67.21 0.0000
19 O3 Os E 17 14 7 1.439 110.707 177.22 -0.4470
20 C2 Cg M 17 14 7 1.545 114.890 50.96 0.3400
21 H2 H1 E 20 17 14 1.091 109.957 -172.30 0.0000
22 O2 Os M 20 17 14 1.444 109.766 67.90 -0.4340
LOOP
C2 C1
DONE
TUA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.490 98.494 -135.80 0.3630
5 H1 H2 E 4 3 2 1.090 133.285 160.45 0.0000
6 C2 Cg M 4 3 2 1.559 106.137 19.27 0.2590
7 H2 H1 E 6 4 3 1.092 108.691 -14.77 0.0000
8 C3 Cg 3 6 4 3 1.555 110.585 -134.12 0.4170
9 H3 H1 E 8 6 4 1.092 108.809 -73.26 0.0000
10 C4 Cg 3 8 6 4 1.551 113.490 47.73 0.2230
11 H4 H1 E 10 8 6 1.092 108.495 63.78 0.0000
12 C5 Cg 3 10 8 6 1.541 110.331 -54.77 0.2320
13 H5 H1 E 12 10 8 1.091 107.517 172.11 0.0000
14 C6 C B 12 10 8 1.591 111.292 -72.79 0.6970
15 O6A O2 E 14 12 10 1.252 118.306 124.19 -0.7570
16 O6B O2 E 14 12 10 1.255 117.111 -52.87 -0.7570
17 O5 Os E 12 10 8 1.503 106.777 57.99 -0.5150
18 O4 Os E 10 8 6 1.461 110.962 -178.03 -0.5080
19 O3 Os E 8 6 4 1.454 110.391 168.10 -0.5480
20 O2 Os M 6 4 3 1.469 109.784 103.84 -0.4940
LOOP
O5 C1
DONE
TUB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.486 98.866 -136.63 0.2780
5 H1 H2 E 4 3 2 1.090 81.785 -98.80 0.0000
6 O5 Os M 4 3 2 1.478 136.016 152.83 -0.4300
7 C5 Cg M 6 4 3 1.512 117.828 -89.26 0.1940
8 H5 H1 E 7 6 4 1.091 106.542 -169.54 0.0000
9 C6 C B 7 6 4 1.581 117.000 73.30 0.7500
10 O6B O2 E 9 7 6 1.255 117.682 -174.70 -0.7830
11 O6A O2 E 9 7 6 1.252 117.516 3.62 -0.7830
12 C4 Cg M 7 6 4 1.546 108.685 -54.23 0.3080
13 H4 H1 E 12 7 6 1.092 107.557 -65.54 0.0000
14 O4 Os E 12 7 6 1.456 111.691 177.10 -0.5170
15 C3 Cg M 12 7 6 1.552 112.015 52.87 0.2860
16 H3 H1 E 15 12 7 1.091 109.935 64.98 0.0000
17 O3 Os E 15 12 7 1.460 108.958 -175.86 -0.5280
18 C2 Cg M 15 12 7 1.545 109.635 -56.37 0.2890
19 H2 H1 E 18 15 12 1.091 107.746 -60.80 0.0000
20 O2 Os M 18 15 12 1.455 110.598 -177.09 -0.4520
LOOP
C2 C1
DONE
TXA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.552 98.376 -135.65 0.4820
5 H1 H2 E 4 3 2 1.090 143.066 154.55 0.0000
6 C2 Cg M 4 3 2 1.552 98.681 14.07 0.1970
7 H2 H1 E 6 4 3 1.091 107.726 -152.01 0.0000
8 C3 Cg 3 6 4 3 1.543 111.214 -33.26 0.3590
9 H3 H1 E 8 6 4 1.092 109.408 69.19 0.0000
10 C4 Cg 3 8 6 4 1.547 112.192 -52.80 0.2470
11 H4 H1 E 10 8 6 1.091 109.623 -66.19 0.0000
12 C5 Cg 3 10 8 6 1.539 110.634 53.97 0.3350
13 H5E H1 E 12 10 8 1.090 109.984 -172.58 0.0000
14 H5A H1 E 12 10 8 1.091 110.140 68.68 0.0000
15 O5 Os E 12 10 8 1.489 111.025 -51.97 -0.5880
16 O4 Os E 10 8 6 1.453 110.240 174.10 -0.4940
17 O3 Os E 8 6 4 1.451 108.116 -172.55 -0.4850
18 O2 Os M 6 4 3 1.464 111.006 90.26 -0.4410
LOOP
O5 C1
DONE
TXB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.682 98.802 -135.60 0.2480
5 H1 H2 E 4 3 2 1.091 72.415 -93.43 0.0000
6 O5 Os M 4 3 2 1.466 132.232 166.71 -0.4470
7 C5 Cg M 6 4 3 1.482 115.196 148.40 0.3030
8 H5E H1 E 7 6 4 1.090 109.061 178.41 0.0000
9 H5A H1 E 7 6 4 1.092 109.076 -63.64 0.0000
10 C4 Cg M 7 6 4 1.541 109.795 57.60 0.2860
11 H4 H1 E 10 7 6 1.091 109.061 67.02 0.0000
12 O4 Os E 10 7 6 1.447 108.470 -174.60 -0.4870
13 C3 Cg M 10 7 6 1.546 111.571 -54.26 0.2280
14 H3 H1 E 13 10 7 1.092 109.010 -67.31 0.0000
15 O3 Os E 13 10 7 1.458 108.945 174.50 -0.4490
16 C2 Cg M 13 10 7 1.547 111.370 53.00 0.4250
17 H2 H1 E 16 13 10 1.092 109.571 69.62 0.0000
18 O2 Os M 16 13 10 1.452 108.733 -171.44 -0.4950
LOOP
C2 C1
DONE
TZA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.420 99.000 -130.34 0.3980
5 H1 H2 E 4 3 2 1.090 21.912 102.13 0.0000
6 C2 Cg M 4 3 2 1.551 109.472 7.93 0.3260
7 H2 H1 E 6 4 3 1.091 107.487 74.75 0.0000
8 C3 Cg 3 6 4 3 1.547 112.398 -166.09 0.3000
9 H3 H1 E 8 6 4 1.092 108.680 71.61 0.0000
10 C4 Cg 3 8 6 4 1.555 112.948 -49.44 0.1930
11 H4 H1 E 10 8 6 1.091 109.268 -72.54 0.0000
12 C5 Cg 3 10 8 6 1.550 113.190 48.46 0.1870
13 H5 H1 E 12 10 8 1.092 106.693 67.16 0.0000
14 C6 C B 12 10 8 1.597 111.674 -179.86 0.7980
15 O6A O2 E 14 12 10 1.259 117.589 -37.92 -0.7870
16 O6B O2 E 14 12 10 1.252 118.424 145.06 -0.7870
17 O5 Os E 12 10 8 1.515 110.155 -47.11 -0.5440
18 O4 Os E 10 8 6 1.452 109.657 168.36 -0.4540
19 O3 Os E 8 6 4 1.458 107.208 -171.22 -0.4980
20 O2 Os M 6 4 3 1.467 110.139 -42.45 -0.5200
LOOP
O5 C1
DONE
TZB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.413 98.374 -136.24 0.2510
5 H1 H2 E 4 3 2 1.091 70.111 -94.11 0.0000
6 O5 Os M 4 3 2 1.460 133.490 168.28 -0.4130
7 C5 Cg M 6 4 3 1.502 116.304 144.38 0.0750
8 H5 H1 E 7 6 4 1.092 106.868 -58.62 0.0000
9 C6 C B 7 6 4 1.584 116.788 -176.23 0.8930
10 O6B O2 E 9 7 6 1.258 117.333 -166.06 -0.8180
11 O6A O2 E 9 7 6 1.252 118.262 15.31 -0.8180
12 C4 Cg M 7 6 4 1.542 108.303 57.48 0.2670
13 H4 H1 E 12 7 6 1.092 108.248 69.44 0.0000
14 O4 Os E 12 7 6 1.449 108.907 -172.84 -0.4980
15 C3 Cg M 12 7 6 1.552 113.280 -51.87 0.2660
16 H3 H1 E 15 12 7 1.092 108.760 -69.98 0.0000
17 O3 Os E 15 12 7 1.459 107.412 172.72 -0.4920
18 C2 Cg M 15 12 7 1.551 112.291 50.40 0.4110
19 H2 H1 E 18 15 12 1.092 109.200 71.99 0.0000
20 O2 Os M 18 15 12 1.458 111.055 -168.01 -0.5120
LOOP
C2 C1
DONE
TaA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.188 125.377 -138.64 0.4480
5 H1 H2 E 4 3 2 1.091 32.906 146.73 0.0000
6 O5 Os M 4 3 2 1.484 133.629 99.38 -0.5640
7 C5 Cg M 6 4 3 1.479 117.874 -165.14 0.3790
8 H5A H1 E 7 6 4 1.091 109.412 64.62 0.0000
9 H5E H1 E 7 6 4 1.090 109.141 -176.99 0.0000
10 C4 Cg M 7 6 4 1.532 108.551 -56.56 0.2450
11 H4 H1 E 10 7 6 1.091 108.287 -64.52 0.0000
12 O4 Os E 10 7 6 1.437 109.023 178.50 -0.5080
13 C3 Cg M 10 7 6 1.543 112.944 55.64 0.3350
14 H3 H1 E 13 10 7 1.091 109.892 -174.01 0.0000
15 O3 Os E 13 10 7 1.441 110.011 67.03 -0.5050
16 C2 Cg M 13 10 7 1.543 111.532 -51.47 0.2680
17 H2 H1 E 16 13 10 1.092 109.910 169.41 0.0000
18 O2 Os M 16 13 10 1.437 107.286 -74.11 -0.4860
LOOP
C2 C1
DONE
TaB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.197 114.912 -133.16 0.3790
5 H1 H2 E 4 3 2 1.091 60.190 -69.03 0.0000
6 C2 Cg M 4 3 2 1.563 137.254 -156.94 0.3000
7 H2 H1 E 6 4 3 1.091 109.469 14.39 0.0000
8 C3 Cg 3 6 4 3 1.543 109.402 134.96 0.2970
9 H3 H1 E 8 6 4 1.091 109.527 174.23 0.0000
10 C4 Cg 3 8 6 4 1.551 111.469 53.21 0.2240
11 H4 H1 E 10 8 6 1.091 108.923 64.26 0.0000
12 C5 Cg 3 10 8 6 1.546 111.087 -54.81 0.3560
13 H5A H1 E 12 10 8 1.091 110.570 -66.53 0.0000
14 H5E H1 E 12 10 8 1.090 109.958 174.33 0.0000
15 O5 Os E 12 10 8 1.485 110.184 54.27 -0.5290
16 O4 Os E 10 8 6 1.458 110.429 -177.71 -0.4840
17 O3 Os E 8 6 4 1.454 108.942 -67.85 -0.4550
18 O2 Os M 6 4 3 1.460 111.691 -105.49 -0.4760
LOOP
O5 C1
DONE
TdA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.386 115.065 -132.97 0.3980
5 H1 H2 E 4 3 2 1.090 122.721 39.39 0.0000
6 O5 Os M 4 3 2 1.470 69.754 -59.92 -0.4870
7 C5 Cg M 6 4 3 1.490 117.560 -72.03 0.2750
8 H5A H1 E 7 6 4 1.092 108.478 71.52 0.0000
9 H5E H1 E 7 6 4 1.090 108.927 -171.44 0.0000
10 C4 Cg M 7 6 4 1.543 111.684 -49.69 0.3510
11 H4 H1 E 10 7 6 1.091 109.854 -69.03 0.0000
12 O4 Os E 10 7 6 1.447 108.472 171.92 -0.4830
13 C3 Cg M 10 7 6 1.545 110.247 52.70 0.1840
14 H3 H1 E 13 10 7 1.091 108.583 60.91 0.0000
15 O3 Os E 13 10 7 1.459 110.859 178.21 -0.4320
16 C2 Cg M 13 10 7 1.549 111.008 -57.45 0.2460
17 H2 H1 E 16 13 10 1.091 109.256 175.96 0.0000
18 O2 Os M 16 13 10 1.458 110.247 -65.62 -0.4400
LOOP
C2 C1
DONE
TdB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.553 116.316 -128.93 0.4480
5 H1 H2 E 4 3 2 1.091 113.723 25.37 0.0000
6 C2 Cg M 4 3 2 1.543 134.009 -175.87 0.2260
7 H2 H1 E 6 4 3 1.091 110.247 141.57 0.0000
8 C3 Cg 3 6 4 3 1.543 109.102 -97.36 0.2010
9 H3 H1 E 8 6 4 1.092 108.078 -65.99 0.0000
10 C4 Cg 3 8 6 4 1.543 112.432 54.46 0.3350
11 H4 H1 E 10 8 6 1.091 110.326 70.31 0.0000
12 C5 Cg 3 10 8 6 1.539 111.797 -51.79 0.2750
13 H5A H1 E 12 10 8 1.092 110.541 -69.74 0.0000
14 H5E H1 E 12 10 8 1.090 110.214 170.80 0.0000
15 O5 Os E 12 10 8 1.480 110.071 50.34 -0.5190
16 O4 Os E 10 8 6 1.436 108.765 -169.83 -0.4670
17 O3 Os E 8 6 4 1.440 109.342 176.73 -0.4630
18 O2 Os M 6 4 3 1.446 108.761 21.88 -0.4240
LOOP
O5 C1
DONE
TeA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Oh S 9 7 6 1.434 108.916 -64.43 -0.6630
13 H6O Ho E 12 9 7 0.960 109.470 -59.69 0.4060
14 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
15 H4 H1 E 14 7 6 1.091 108.456 -65.22 0.0000
16 O4 Os E 14 7 6 1.439 109.886 177.28 -0.5000
17 C3 Cg M 14 7 6 1.544 113.133 54.81 0.3280
18 H3 H1 E 17 14 7 1.091 109.843 -174.05 0.0000
19 O3 Os E 17 14 7 1.442 110.012 67.08 -0.4880
20 C2 Cg M 17 14 7 1.541 111.809 -51.50 0.1790
21 H2 H1 E 20 17 14 1.092 109.967 169.74 0.0000
22 O2 Os M 20 17 14 1.437 107.327 -73.67 -0.4370
LOOP
C2 C1
DONE
TeB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 C3 Cg 3 6 4 3 1.540 108.887 135.69 0.3150
9 H3 H1 E 8 6 4 1.091 109.473 176.26 0.0000
10 C4 Cg 3 8 6 4 1.554 111.264 55.47 0.3200
11 H4 H1 E 10 8 6 1.091 108.716 63.72 0.0000
12 C5 Cg 3 10 8 6 1.549 111.196 -55.77 0.2570
13 H5 H1 E 12 10 8 1.092 109.111 -65.44 0.0000
14 C6 Cg 3 12 10 8 1.541 112.018 174.42 0.2780
15 H61 H1 E 14 12 10 1.090 110.614 60.34 0.0000
16 H62 H1 E 14 12 10 1.091 110.136 -59.38 0.0000
17 O6 Oh S 14 12 10 1.439 109.977 -179.42 -0.6770
18 H6O Ho E 17 14 12 0.962 108.042 50.79 0.4080
19 O5 Os E 12 10 8 1.501 109.730 53.07 -0.5320
20 O4 Os E 10 8 6 1.457 110.079 -178.65 -0.4980
21 O3 Os E 8 6 4 1.454 108.210 -66.23 -0.4720
22 O2 Os M 6 4 3 1.463 112.571 -104.80 -0.4590
LOOP
O5 C1
DONE
TfA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.290 114.938 -133.05 0.3990
5 H1 H2 E 4 3 2 1.090 120.789 32.75 0.0000
6 O5 Os M 4 3 2 1.472 68.244 -66.42 -0.4940
7 C5 Cg M 6 4 3 1.495 116.875 -70.92 0.1870
8 H5 H1 E 7 6 4 1.091 107.622 67.25 0.0000
9 C6 Cg 3 7 6 4 1.531 107.907 -177.50 0.0650
10 H61 Hc E 9 7 6 1.091 112.013 60.69 0.0000
11 H62 Hc E 9 7 6 1.091 111.136 -59.35 0.0000
12 H63 Hc E 9 7 6 1.090 111.280 -178.78 0.0000
13 C4 Cg M 7 6 4 1.554 111.650 -50.04 0.2630
14 H4 H1 E 13 7 6 1.091 108.736 170.14 0.0000
15 O4 Os E 13 7 6 1.452 110.366 -71.52 -0.4860
16 C3 Cg M 13 7 6 1.549 111.442 50.00 0.2280
17 H3 H1 E 16 13 7 1.091 108.535 63.68 0.0000
18 O3 Os E 16 13 7 1.464 109.243 -179.40 -0.4610
19 C2 Cg M 16 13 7 1.550 109.944 -55.77 0.4560
20 H2 H1 E 19 16 13 1.091 109.004 -59.37 0.0000
21 O2 Os M 19 16 13 1.463 111.178 -176.89 -0.5450
LOOP
C2 C1
DONE
TfB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.094 122.532 -140.40 0.4180
5 H1 H2 E 4 3 2 1.091 73.877 -8.00 0.0000
6 C2 Cg M 4 3 2 1.545 109.309 -114.38 0.3460
7 H2 H1 E 6 4 3 1.092 110.063 -86.50 0.0000
8 C3 Cg 3 6 4 3 1.542 111.933 150.88 0.2550
9 H3 H1 E 8 6 4 1.092 108.986 -69.25 0.0000
10 C4 Cg 3 8 6 4 1.542 112.898 50.54 0.2290
11 H4 H1 E 10 8 6 1.091 109.948 -175.33 0.0000
12 C5 Cg 3 10 8 6 1.543 109.625 -54.44 0.1060
13 H5 H1 E 12 10 8 1.092 108.258 -61.07 0.0000
14 C6 Cg 3 12 10 8 1.531 115.663 178.40 0.0920
15 H61 Hc E 14 12 10 1.091 111.160 177.14 0.0000
16 H62 Hc E 14 12 10 1.091 112.070 -62.71 0.0000
17 H63 Hc E 14 12 10 1.091 111.199 57.72 0.0000
18 O5 Os E 12 10 8 1.481 108.818 56.43 -0.4420
19 O4 Os E 10 8 6 1.445 109.758 64.85 -0.4300
20 O3 Os E 8 6 4 1.440 109.807 172.76 -0.4430
21 O2 Os M 6 4 3 1.439 107.580 32.59 -0.5190
LOOP
O5 C1
DONE
TgA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Oh S 9 7 6 1.444 110.823 -72.03 -0.6820
13 H6O Ho E 12 9 7 0.960 109.735 -78.35 0.4180
14 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
15 H4 H1 E 14 7 6 1.092 109.342 -68.48 0.0000
16 O4 Os E 14 7 6 1.451 108.995 172.71 -0.4680
17 C3 Cg M 14 7 6 1.547 111.254 52.54 0.2860
18 H3 H1 E 17 14 7 1.092 109.616 66.99 0.0000
19 O3 Os E 17 14 7 1.452 108.604 -174.42 -0.4660
20 C2 Cg M 17 14 7 1.543 112.114 -54.50 0.2460
21 H2 H1 E 20 17 14 1.091 108.373 -65.99 0.0000
22 O2 Os M 20 17 14 1.465 110.086 176.46 -0.4700
LOOP
C2 C1
DONE
TgB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 C3 Cg 3 6 4 3 1.545 110.380 140.59 0.2840
9 H3 H1 E 8 6 4 1.092 109.008 -69.00 0.0000
10 C4 Cg 3 8 6 4 1.548 112.113 51.91 0.2760
11 H4 H1 E 10 8 6 1.092 109.378 67.39 0.0000
12 C5 Cg 3 10 8 6 1.543 111.306 -53.55 0.2250
13 H5 H1 E 12 10 8 1.092 109.126 -64.00 0.0000
14 C6 Cg 3 12 10 8 1.541 112.515 175.39 0.2820
15 H61 H1 E 14 12 10 1.090 110.609 61.43 0.0000
16 H62 H1 E 14 12 10 1.091 110.212 -58.37 0.0000
17 O6 Oh S 14 12 10 1.440 109.810 -178.39 -0.6880
18 H6O Ho E 17 14 12 0.962 108.265 53.10 0.4240
19 O5 Os E 12 10 8 1.495 108.909 54.04 -0.4710
20 O4 Os E 10 8 6 1.448 109.104 -173.75 -0.4680
21 O3 Os E 8 6 4 1.454 109.219 172.60 -0.4710
22 O2 Os M 6 4 3 1.458 110.080 20.25 -0.4750
LOOP
O5 C1
DONE
ThA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.373 114.818 -133.12 0.3940
5 H1 H2 E 4 3 2 1.090 123.975 26.37 0.0000
6 O5 Os M 4 3 2 1.473 66.142 -70.59 -0.4610
7 C5 Cg M 6 4 3 1.486 117.952 -69.56 0.2790
8 H5 H1 E 7 6 4 1.092 108.099 67.53 0.0000
9 C6 Cg 3 7 6 4 1.530 106.736 -176.09 0.0230
10 H61 Hc E 9 7 6 1.091 111.668 63.20 0.0000
11 H62 Hc E 9 7 6 1.091 111.314 -56.98 0.0000
12 H63 Hc E 9 7 6 1.090 111.509 -176.49 0.0000
13 C4 Cg M 7 6 4 1.549 110.695 -51.67 0.1870
14 H4 H1 E 13 7 6 1.091 109.781 -68.51 0.0000
15 O4 Os E 13 7 6 1.456 109.491 172.11 -0.4330
16 C3 Cg M 13 7 6 1.545 110.317 52.49 0.2360
17 H3 H1 E 16 13 7 1.092 108.830 64.14 0.0000
18 O3 Os E 16 13 7 1.452 109.689 -178.23 -0.4180
19 C2 Cg M 16 13 7 1.545 112.380 -55.89 0.2480
20 H2 H1 E 19 16 13 1.091 109.364 174.25 0.0000
21 O2 Os M 19 16 13 1.456 109.714 -67.50 -0.4430
LOOP
C2 C1
DONE
ThB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 42.030 124.543 -153.41 0.3810
5 H1 H2 E 4 3 2 1.091 139.785 159.66 0.0000
6 C2 Cg M 4 3 2 1.542 96.846 27.94 0.2430
7 H2 H1 E 6 4 3 1.091 110.263 89.84 0.0000
8 C3 Cg 3 6 4 3 1.542 108.951 -149.17 0.1820
9 H3 H1 E 8 6 4 1.092 107.999 -65.80 0.0000
10 C4 Cg 3 8 6 4 1.543 112.684 54.72 0.3880
11 H4 H1 E 10 8 6 1.092 109.930 71.13 0.0000
12 C5 Cg 3 10 8 6 1.547 112.131 -51.25 0.1720
13 H5 H1 E 12 10 8 1.092 109.230 -69.17 0.0000
14 C6M Cg 3 12 10 8 1.530 114.214 169.13 0.0390
15 H3M Hc E 14 12 10 1.091 111.441 61.33 0.0000
16 H2M Hc E 14 12 10 1.091 111.709 -58.98 0.0000
17 H1M Hc E 14 12 10 1.091 111.297 -179.18 0.0000
18 O5 Os E 12 10 8 1.483 109.717 48.94 -0.4270
19 O4 Os E 10 8 6 1.438 108.082 -169.72 -0.4900
20 O3 Os E 8 6 4 1.440 109.222 177.05 -0.4410
21 O2 Os M 6 4 3 1.446 108.900 -29.97 -0.4350
LOOP
O5 C1
DONE
TkA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Oh S 9 7 6 1.434 108.908 -64.18 -0.6910
13 H6O Ho E 12 9 7 0.960 109.471 -59.53 0.4220
14 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
15 H4 H1 E 14 7 6 1.091 109.347 173.46 0.0000
16 O4 Os E 14 7 6 1.440 109.315 -68.60 -0.4860
17 C3 Cg M 14 7 6 1.541 113.058 50.90 0.3540
18 H3 H1 E 17 14 7 1.091 110.148 -170.51 0.0000
19 O3 Os E 17 14 7 1.440 107.217 72.05 -0.5020
20 C2 Cg M 17 14 7 1.544 111.196 -48.50 0.2810
21 H2 H1 E 20 17 14 1.091 106.696 -68.80 0.0000
22 O2 Os M 20 17 14 1.439 110.836 175.80 -0.4830
LOOP
C2 C1
DONE
TkB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 C3 Cg 3 6 4 3 1.547 110.415 140.23 0.2530
9 H3 H1 E 8 6 4 1.091 109.195 174.71 0.0000
10 C4 Cg 3 8 6 4 1.545 111.988 53.40 0.2170
11 H4 H1 E 10 8 6 1.091 109.393 -172.98 0.0000
12 C5 Cg 3 10 8 6 1.553 111.117 -52.75 0.3030
13 H5 H1 E 12 10 8 1.092 107.789 -66.12 0.0000
14 C6 Cg 3 12 10 8 1.542 113.025 175.07 0.2590
15 H61 H1 E 14 12 10 1.090 110.096 53.77 0.0000
16 H62 H1 E 14 12 10 1.090 110.533 -65.83 0.0000
17 O6 Oh S 14 12 10 1.441 110.162 173.71 -0.6700
18 H6O Ho E 17 14 12 0.962 108.273 57.74 0.4160
19 O5 Os E 12 10 8 1.499 110.891 51.77 -0.5140
20 O4 Os E 10 8 6 1.455 108.780 69.68 -0.4690
21 O3 Os E 8 6 4 1.452 110.271 -66.88 -0.4620
22 O2 Os M 6 4 3 1.462 111.766 18.28 -0.4780
LOOP
O5 C1
DONE
TlA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Oh S 9 7 6 1.434 108.858 -64.45 -0.6840
13 H6O Ho E 12 9 7 0.960 109.466 -59.52 0.4180
14 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
15 H4 H1 E 14 7 6 1.091 109.671 175.54 0.0000
16 O4 Os E 14 7 6 1.445 108.372 -65.83 -0.4310
17 C3 Cg M 14 7 6 1.544 110.422 54.45 0.2530
18 H3 H1 E 17 14 7 1.091 108.559 66.00 0.0000
19 O3 Os E 17 14 7 1.440 109.147 -176.39 -0.4620
20 C2 Cg M 17 14 7 1.541 111.714 -54.48 0.3390
21 H2 H1 E 20 17 14 1.091 108.995 -66.63 0.0000
22 O2 Os M 20 17 14 1.440 110.049 175.31 -0.4870
LOOP
C2 C1
DONE
TlB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 C3 Cg 3 6 4 3 1.547 110.130 140.44 0.2590
9 H3 H1 E 8 6 4 1.092 108.676 -66.21 0.0000
10 C4 Cg 3 8 6 4 1.546 112.254 53.31 0.2030
11 H4 H1 E 10 8 6 1.091 109.260 -175.38 0.0000
12 C5 Cg 3 10 8 6 1.545 110.517 -55.04 0.1400
13 H5 H1 E 12 10 8 1.092 107.648 -63.90 0.0000
14 C6 Cg 3 12 10 8 1.539 113.155 176.88 0.3190
15 H61 H1 E 14 12 10 1.090 110.337 53.86 0.0000
16 H62 H1 E 14 12 10 1.091 110.848 -66.38 0.0000
17 O6 Oh S 14 12 10 1.437 109.027 173.44 -0.6930
18 H6O Ho E 17 14 12 0.961 107.830 58.33 0.4190
19 O5 Os E 12 10 8 1.495 110.103 53.62 -0.4020
20 O4 Os E 10 8 6 1.449 109.638 65.91 -0.4210
21 O3 Os E 8 6 4 1.455 110.815 175.60 -0.4550
22 O2 Os M 6 4 3 1.459 109.860 20.73 -0.4880
LOOP
O5 C1
DONE
TmA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Oh S 9 7 6 1.444 110.952 -70.49 -0.6880
13 H6O Ho E 12 9 7 0.960 109.923 -72.72 0.4220
14 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
15 H4 H1 E 14 7 6 1.091 109.924 -69.18 0.0000
16 O4 Os E 14 7 6 1.452 108.824 171.70 -0.4890
17 C3 Cg M 14 7 6 1.549 110.605 52.31 0.2520
18 H3 H1 E 17 14 7 1.092 108.663 62.49 0.0000
19 O3 Os E 17 14 7 1.461 110.813 -179.59 -0.4590
20 C2 Cg M 17 14 7 1.545 111.609 -57.15 0.2450
21 H2 H1 E 20 17 14 1.091 109.207 175.17 0.0000
22 O2 Os M 20 17 14 1.459 109.731 -66.73 -0.4650
LOOP
C2 C1
DONE
TmB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 C3 Cg 3 6 4 3 1.547 107.300 140.06 0.2630
9 H3 H1 E 8 6 4 1.092 107.890 -58.13 0.0000
10 C4 Cg 3 8 6 4 1.553 110.623 60.52 0.3490
11 H4 H1 E 10 8 6 1.091 109.997 63.90 0.0000
12 C5 Cg 3 10 8 6 1.550 110.419 -57.43 0.2060
13 H5 H1 E 12 10 8 1.092 108.705 -67.76 0.0000
14 C6 Cg 3 12 10 8 1.539 111.873 172.30 0.2730
15 H61 H1 E 14 12 10 1.090 110.558 59.60 0.0000
16 H62 H1 E 14 12 10 1.091 110.262 -60.18 0.0000
17 O6 Oh S 14 12 10 1.439 109.850 179.68 -0.6800
18 H6O Ho E 17 14 12 0.962 108.414 55.86 0.4190
19 O5 Os E 12 10 8 1.498 110.843 50.51 -0.3930
20 O4 Os E 10 8 6 1.452 109.624 -176.73 -0.4970
21 O3 Os E 8 6 4 1.457 110.746 -174.70 -0.4560
22 O2 Os M 6 4 3 1.459 109.767 -99.50 -0.4270
LOOP
O5 C1
DONE
TnA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Oh S 9 7 6 1.434 109.011 -63.74 -0.6630
13 H6O Ho E 12 9 7 0.960 109.493 -59.88 0.3960
14 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
15 H4 H1 E 14 7 6 1.091 108.424 -67.01 0.0000
16 O4 Os E 14 7 6 1.439 109.651 175.64 -0.4830
17 C3 Cg M 14 7 6 1.543 113.659 53.11 0.3300
18 H3 H1 E 17 14 7 1.091 110.022 -173.93 0.0000
19 O3 Os E 17 14 7 1.445 109.798 66.31 -0.4670
20 C2 Cg M 17 14 7 1.541 108.602 -53.52 0.2280
21 H2 H1 E 20 17 14 1.091 106.837 -65.32 0.0000
22 O2 Os M 20 17 14 1.439 110.703 179.06 -0.4470
LOOP
C2 C1
DONE
TnB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 C3 Cg 3 6 4 3 1.544 110.844 141.66 0.2340
9 H3 H1 E 8 6 4 1.092 109.398 175.17 0.0000
10 C4 Cg 3 8 6 4 1.546 109.920 54.68 0.2860
11 H4 H1 E 10 8 6 1.091 108.699 62.12 0.0000
12 C5 Cg 3 10 8 6 1.547 111.303 -57.50 0.1980
13 H5 H1 E 12 10 8 1.091 109.233 -61.92 0.0000
14 C6 Cg 3 12 10 8 1.541 112.741 177.70 0.3130
15 H61 H1 E 14 12 10 1.090 110.689 61.33 0.0000
16 H62 H1 E 14 12 10 1.090 110.338 -58.85 0.0000
17 O6 Oh S 14 12 10 1.438 109.178 -178.76 -0.6890
18 H6O Ho E 17 14 12 0.962 107.694 47.58 0.4180
19 O5 Os E 12 10 8 1.500 108.536 56.16 -0.5070
20 O4 Os E 10 8 6 1.447 109.608 179.74 -0.4710
21 O3 Os E 8 6 4 1.458 109.599 -65.98 -0.4200
22 O2 Os M 6 4 3 1.458 111.714 19.64 -0.4730
LOOP
O5 C1
DONE
ToA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.463 117.245 -129.47 0.3050
5 H1 H2 E 4 3 2 1.090 34.578 150.44 0.0000
6 O5 Os M 4 3 2 1.471 105.819 50.53 -0.4240
7 C5 Cg M 6 4 3 1.515 118.146 -155.23 0.0540
8 H5 H1 E 7 6 4 1.092 107.817 65.63 0.0000
9 C6 C B 7 6 4 1.566 116.761 -173.10 0.8960
10 O6B O2 E 9 7 6 1.255 117.285 49.97 -0.8220
11 O6A O2 E 9 7 6 1.252 116.529 -135.07 -0.8220
12 C4 Cg M 7 6 4 1.540 109.060 -52.35 0.2670
13 H4 H1 E 12 7 6 1.091 109.560 176.88 0.0000
14 O4 Os E 12 7 6 1.455 107.562 -64.91 -0.4690
15 C3 Cg M 12 7 6 1.551 109.735 56.67 0.2510
16 H3 H1 E 15 12 7 1.092 108.010 56.95 0.0000
17 O3 Os E 15 12 7 1.460 111.816 174.01 -0.5030
18 C2 Cg M 15 12 7 1.548 110.284 -61.11 0.4130
19 H2 H1 E 18 15 12 1.091 109.347 -64.48 0.0000
20 O2 Os M 18 15 12 1.464 110.220 176.88 -0.5340
LOOP
C2 C1
DONE
ToB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.219 115.043 -133.41 0.3010
5 H1 H2 E 4 3 2 1.091 63.366 -68.89 0.0000
6 C2 Cg M 4 3 2 1.559 138.871 -159.91 0.3830
7 H2 H1 E 6 4 3 1.091 109.614 -94.43 0.0000
8 C3 Cg 3 6 4 3 1.553 110.962 144.51 0.2590
9 H3 H1 E 8 6 4 1.092 108.228 -67.30 0.0000
10 C4 Cg 3 8 6 4 1.548 111.733 51.56 0.2600
11 H4 H1 E 10 8 6 1.091 108.447 -176.52 0.0000
12 C5 Cg 3 10 8 6 1.538 110.856 -55.81 0.0490
13 H5 H1 E 12 10 8 1.092 107.135 -59.52 0.0000
14 C6 C B 12 10 8 1.574 110.283 -172.73 0.8380
15 O6A O2 E 14 12 10 1.254 118.706 -136.36 -0.7940
16 O6B O2 E 14 12 10 1.256 116.247 49.13 -0.7940
17 O5 Os E 12 10 8 1.506 109.239 55.41 -0.4140
18 O4 Os E 10 8 6 1.450 109.430 65.27 -0.4530
19 O3 Os E 8 6 4 1.466 112.472 174.09 -0.4980
20 O2 Os M 6 4 3 1.460 107.566 23.78 -0.5250
LOOP
O5 C1
DONE
TqA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.363 114.978 -133.03 0.4650
5 H1 H1 E 4 3 2 1.090 121.763 32.99 0.0000
6 O5 Os M 4 3 2 1.467 70.798 -67.46 -0.5590
7 C5 Cg M 6 4 3 1.487 117.291 -66.87 0.2340
8 H5 H1 E 7 6 4 1.092 108.269 65.21 0.0000
9 C6 Cg 3 7 6 4 1.531 106.976 -178.31 0.0600
10 H61 Hc E 9 7 6 1.091 111.279 -57.12 0.0000
11 H62 Hc E 9 7 6 1.091 111.508 -176.59 0.0000
12 H63 Hc E 9 7 6 1.091 111.703 63.05 0.0000
13 C4 Cg M 7 6 4 1.546 110.112 -53.83 0.2080
14 H4 H1 E 13 7 6 1.092 109.076 -69.57 0.0000
15 O4 Os E 13 7 6 1.456 108.902 171.97 -0.4550
16 C3 Cg M 13 7 6 1.550 111.848 51.22 0.3120
17 H3 H1 E 16 13 7 1.092 109.484 68.56 0.0000
18 O3 Os E 16 13 7 1.451 107.191 -173.73 -0.4670
19 C2 Cg M 16 13 7 1.550 112.115 -52.85 0.2810
20 H2 H1 E 19 16 13 1.091 108.369 -65.92 0.0000
21 O2 Os M 19 16 13 1.464 112.236 175.32 -0.4670
LOOP
C2 C1
DONE
TqB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.342 114.850 -133.09 0.3910
5 H1 H1 E 4 3 2 1.091 66.637 -64.20 0.0000
6 C2 Cg M 4 3 2 1.554 136.503 -160.98 0.3230
7 H2 H1 E 6 4 3 1.092 109.276 -93.94 0.0000
8 C3 Cg 3 6 4 3 1.546 109.870 145.94 0.3000
9 H3 H1 E 8 6 4 1.092 108.841 -69.08 0.0000
10 C4 Cg 3 8 6 4 1.549 112.577 51.86 0.2500
11 H4 H1 E 10 8 6 1.092 109.316 68.82 0.0000
12 C5 Cg 3 10 8 6 1.548 111.410 -52.00 0.2710
13 H5 H1 E 12 10 8 1.092 109.263 -66.11 0.0000
14 C6 Cg 3 12 10 8 1.530 114.065 172.27 0.0480
15 H61 Hc E 14 12 10 1.091 111.262 -178.50 0.0000
16 H62 Hc E 14 12 10 1.091 111.509 62.03 0.0000
17 H63 Hc E 14 12 10 1.091 111.710 -58.34 0.0000
18 O5 Os E 12 10 8 1.486 109.336 52.29 -0.5350
19 O4 Os E 10 8 6 1.451 109.144 -172.28 -0.4860
20 O3 Os E 8 6 4 1.454 109.133 172.74 -0.4630
21 O2 Os M 6 4 3 1.460 110.327 25.57 -0.4870
LOOP
O5 C1
DONE
TrA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.108 125.437 -138.65 0.4880
5 H1 H2 E 4 3 2 1.090 34.452 139.99 0.0000
6 O5 Os M 4 3 2 1.483 136.062 95.09 -0.5610
7 C5 Cg M 6 4 3 1.483 117.768 -164.72 0.3770
8 H5A H1 E 7 6 4 1.091 109.204 66.57 0.0000
9 H5E H1 E 7 6 4 1.090 109.080 -175.36 0.0000
10 C4 Cg M 7 6 4 1.537 109.246 -54.64 0.1220
11 H4 H1 E 10 7 6 1.091 108.264 -65.95 0.0000
12 O4 Os E 10 7 6 1.437 108.837 177.17 -0.4380
13 C3 Cg M 10 7 6 1.542 113.340 54.31 0.3450
14 H3 H1 E 13 10 7 1.091 110.108 -174.25 0.0000
15 O3 Os E 13 10 7 1.445 109.754 65.90 -0.4880
16 C2 Cg M 13 10 7 1.542 108.334 -53.79 0.2530
17 H2 H1 E 16 13 10 1.091 106.798 -65.63 0.0000
18 O2 Os M 16 13 10 1.439 110.674 178.86 -0.4860
LOOP
C2 C1
DONE
TrB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.205 115.033 -133.24 0.4810
5 H1 H2 E 4 3 2 1.090 58.746 -70.52 0.0000
6 C2 Cg M 4 3 2 1.563 140.544 -157.28 0.3850
7 H2 H1 E 6 4 3 1.092 108.121 -109.69 0.0000
8 C3 Cg 3 6 4 3 1.550 109.259 132.95 0.2030
9 H3 H1 E 8 6 4 1.091 109.709 178.53 0.0000
10 C4 Cg 3 8 6 4 1.548 108.635 58.66 0.2360
11 H4 H1 E 10 8 6 1.091 108.914 60.36 0.0000
12 C5 Cg 3 10 8 6 1.549 110.878 -58.91 0.3350
13 H5A H1 E 12 10 8 1.091 110.751 -65.58 0.0000
14 H5E H1 E 12 10 8 1.090 110.011 175.14 0.0000
15 O5 Os E 12 10 8 1.488 109.926 55.20 -0.5760
16 O4 Os E 10 8 6 1.453 110.299 178.35 -0.4780
17 O3 Os E 8 6 4 1.460 111.251 -60.93 -0.4620
18 O2 Os M 6 4 3 1.459 113.253 8.58 -0.5120
LOOP
O5 C1
DONE
TtA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Oh S 9 7 6 1.434 108.863 -64.48 -0.6690
13 H6O Ho E 12 9 7 0.960 109.462 -59.57 0.4010
14 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
15 H4 H1 E 14 7 6 1.091 109.540 173.93 0.0000
16 O4 Os E 14 7 6 1.443 109.067 -67.36 -0.5080
17 C3 Cg M 14 7 6 1.543 109.739 53.52 0.1240
18 H3 H1 E 17 14 7 1.091 106.734 65.74 0.0000
19 O3 Os E 17 14 7 1.439 110.707 -178.75 -0.4390
20 C2 Cg M 17 14 7 1.545 114.910 -52.34 0.2450
21 H2 H1 E 20 17 14 1.091 109.723 171.12 0.0000
22 O2 Os M 20 17 14 1.440 110.347 -69.94 -0.4130
LOOP
C2 C1
DONE
TtB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 C3 Cg 3 6 4 3 1.545 108.990 139.13 0.1740
9 H3 H1 E 8 6 4 1.091 106.777 -66.52 0.0000
10 C4 Cg 3 8 6 4 1.547 114.890 51.64 0.3140
11 H4 H1 E 10 8 6 1.091 109.570 -171.49 0.0000
12 C5 Cg 3 10 8 6 1.547 110.218 -50.96 0.0310
13 H5 H1 E 12 10 8 1.092 107.394 -65.47 0.0000
14 C6 Cg 3 12 10 8 1.535 115.137 174.64 0.3490
15 H61 H1 E 14 12 10 1.090 110.278 53.24 0.0000
16 H62 H1 E 14 12 10 1.091 110.886 -67.01 0.0000
17 O6 Oh S 14 12 10 1.434 108.837 172.73 -0.6660
18 H6O Ho E 17 14 12 0.960 109.430 59.34 0.4060
19 O5 Os E 12 10 8 1.487 109.426 51.66 -0.3540
20 O4 Os E 10 8 6 1.443 110.169 69.26 -0.4070
21 O3 Os E 8 6 4 1.439 110.677 177.92 -0.4470
22 O2 Os M 6 4 3 1.444 109.193 -100.97 -0.4340
LOOP
O5 C1
DONE
TuA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.331 115.066 -133.04 0.3630
5 H1 H2 E 4 3 2 1.090 112.585 40.61 0.0000
6 O5 Os M 4 3 2 1.464 75.208 -64.60 -0.5150
7 C5 Cg M 6 4 3 1.503 115.778 174.97 0.2320
8 H5 H1 E 7 6 4 1.091 106.633 176.67 0.0000
9 C6 C B 7 6 4 1.591 118.545 -64.62 0.6970
10 O6B O2 E 9 7 6 1.255 117.111 177.25 -0.7570
11 O6A O2 E 9 7 6 1.252 118.306 0.19 -0.7570
12 C4 Cg M 7 6 4 1.541 106.777 61.95 0.2230
13 H4 H1 E 12 7 6 1.092 108.348 60.65 0.0000
14 O4 Os E 12 7 6 1.461 110.851 178.69 -0.5080
15 C3 Cg M 12 7 6 1.551 110.331 -57.99 0.4170
16 H3 H1 E 15 12 7 1.092 108.572 -66.35 0.0000
17 O3 Os E 15 12 7 1.454 107.203 176.93 -0.5480
18 C2 Cg M 15 12 7 1.555 113.490 54.77 0.2590
19 H2 H1 E 18 15 12 1.092 108.782 71.56 0.0000
20 O2 Os M 18 15 12 1.469 110.384 -169.42 -0.4940
LOOP
C2 C1
DONE
TuB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.227 114.589 -133.46 0.2780
5 H1 H2 E 4 3 2 1.090 72.253 -57.04 0.0000
6 C2 Cg M 4 3 2 1.557 131.485 -157.03 0.2890
7 H2 H1 E 6 4 3 1.091 107.118 137.49 0.0000
8 C3 Cg 3 6 4 3 1.545 111.752 -104.72 0.2860
9 H3 H1 E 8 6 4 1.091 110.248 64.55 0.0000
10 C4 Cg 3 8 6 4 1.552 109.635 -56.61 0.3080
11 H4 H1 E 10 8 6 1.092 107.907 -61.83 0.0000
12 C5 Cg 3 10 8 6 1.546 112.015 56.37 0.1940
13 H5 H1 E 12 10 8 1.091 107.278 -167.70 0.0000
14 C6 C B 12 10 8 1.581 111.637 77.65 0.7500
15 O6A O2 E 14 12 10 1.252 117.516 -129.70 -0.7830
16 O6B O2 E 14 12 10 1.255 117.682 48.62 -0.7830
17 O5 Os E 12 10 8 1.512 108.685 -52.87 -0.4300
18 O4 Os E 10 8 6 1.456 110.245 -178.60 -0.5170
19 O3 Os E 8 6 4 1.460 109.228 -175.94 -0.5280
20 O2 Os M 6 4 3 1.455 112.599 20.48 -0.4520
LOOP
O5 C1
DONE
TxA INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.412 115.134 -132.97 0.4820
5 H1 H2 E 4 3 2 1.090 123.148 41.70 0.0000
6 O5 Os M 4 3 2 1.463 72.514 -59.75 -0.5880
7 C5 Cg M 6 4 3 1.489 117.248 -67.03 0.3350
8 H5A H1 E 7 6 4 1.091 108.858 68.16 0.0000
9 H5E H1 E 7 6 4 1.090 108.909 -174.49 0.0000
10 C4 Cg M 7 6 4 1.539 111.025 -53.24 0.2470
11 H4 H1 E 10 7 6 1.091 108.937 -68.60 0.0000
12 O4 Os E 10 7 6 1.453 108.593 173.08 -0.4940
13 C3 Cg M 10 7 6 1.547 110.634 51.97 0.3590
14 H3 H1 E 13 10 7 1.092 109.703 67.85 0.0000
15 O3 Os E 13 10 7 1.451 108.617 -173.43 -0.4850
16 C2 Cg M 13 10 7 1.543 112.192 -53.97 0.1970
17 H2 H1 E 16 13 10 1.091 108.478 -65.50 0.0000
18 O2 Os M 16 13 10 1.464 110.541 176.58 -0.4410
LOOP
C2 C1
DONE
TxB INT 0
CORRECT OMIT DU BEG
-0.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.464 114.825 -132.75 0.2480
5 H1 H2 E 4 3 2 1.091 66.134 -66.21 0.0000
6 C2 Cg M 4 3 2 1.557 136.744 -161.60 0.4250
7 H2 H1 E 6 4 3 1.092 109.351 -93.35 0.0000
8 C3 Cg 3 6 4 3 1.547 111.138 145.56 0.2280
9 H3 H1 E 8 6 4 1.092 109.005 -68.97 0.0000
10 C4 Cg 3 8 6 4 1.546 111.370 51.34 0.2860
11 H4 H1 E 10 8 6 1.091 109.653 67.94 0.0000
12 C5 Cg 3 10 8 6 1.541 111.571 -53.00 0.3030
13 H5A H1 E 12 10 8 1.092 110.518 -66.11 0.0000
14 H5E H1 E 12 10 8 1.090 110.176 174.39 0.0000
15 O5 Os E 12 10 8 1.482 109.795 54.26 -0.4470
16 O4 Os E 10 8 6 1.447 109.213 -172.90 -0.4870
17 O3 Os E 8 6 4 1.458 109.994 172.23 -0.4490
18 O2 Os M 6 4 3 1.452 109.095 25.68 -0.4950
LOOP
O5 C1
DONE
TzA INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.493 117.276 -129.39 0.3980
5 H1 H2 E 4 3 2 1.090 32.570 152.52 0.0000
6 O5 Os M 4 3 2 1.458 108.055 55.77 -0.5440
7 C5 Cg M 6 4 3 1.515 118.156 -151.21 0.1870
8 H5 H1 E 7 6 4 1.092 105.702 62.73 0.0000
9 C6 C B 7 6 4 1.597 117.705 178.26 0.7980
10 O6B O2 E 9 7 6 1.252 118.424 -16.19 -0.7870
11 O6A O2 E 9 7 6 1.259 117.589 166.79 -0.7870
12 C4 Cg M 7 6 4 1.550 110.155 -52.17 0.1930
13 H4 H1 E 12 7 6 1.091 108.479 -74.33 0.0000
14 O4 Os E 12 7 6 1.452 107.400 168.29 -0.4540
15 C3 Cg M 12 7 6 1.555 113.190 47.11 0.3000
16 H3 H1 E 15 12 7 1.092 108.970 72.43 0.0000
17 O3 Os E 15 12 7 1.458 110.360 -168.45 -0.4980
18 C2 Cg M 15 12 7 1.547 112.948 -48.46 0.3260
19 H2 H1 E 18 15 12 1.091 108.371 -69.20 0.0000
20 O2 Os M 18 15 12 1.467 110.467 172.90 -0.5200
LOOP
C2 C1
DONE
TzB INT 0
CORRECT OMIT DU BEG
-1.3880
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 115.039 -133.39 0.2510
5 H1 H2 E 4 3 2 1.091 63.566 -66.62 0.0000
6 C2 Cg M 4 3 2 1.556 136.448 -159.63 0.4110
7 H2 H1 E 6 4 3 1.092 109.113 -96.54 0.0000
8 C3 Cg 3 6 4 3 1.551 111.345 142.85 0.2660
9 H3 H1 E 8 6 4 1.092 108.729 -71.83 0.0000
10 C4 Cg 3 8 6 4 1.552 112.291 48.56 0.2670
11 H4 H1 E 10 8 6 1.092 109.244 70.35 0.0000
12 C5 Cg 3 10 8 6 1.542 113.280 -50.40 0.0750
13 H5 H1 E 12 10 8 1.092 107.974 -63.51 0.0000
14 C6 C B 12 10 8 1.584 111.106 -178.60 0.8930
15 O6A O2 E 14 12 10 1.252 118.262 -140.20 -0.8180
16 O6B O2 E 14 12 10 1.258 117.333 41.17 -0.8180
17 O5 Os E 12 10 8 1.502 108.303 51.87 -0.4130
18 O4 Os E 10 8 6 1.449 108.610 -171.54 -0.4980
19 O3 Os E 8 6 4 1.459 111.009 168.82 -0.4920
20 O2 Os M 6 4 3 1.458 107.250 21.17 -0.5120
LOOP
O5 C1
DONE
UBD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410
5 C1 Cg 3 4 3 2 1.546 4.633 -120.67 0.3130
6 H12 H1 E 5 4 3 1.090 110.325 114.28 0.0000
7 H11 H1 E 5 4 3 1.091 109.856 -126.60 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -6.24 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 -163.85 0.4140
10 C3 Cg M 4 3 2 1.641 111.508 16.65 0.4400
11 H3 H1 E 10 4 3 1.090 108.442 20.90 0.0000
12 O3 Oh S 10 4 3 1.453 115.892 -99.73 -0.7320
13 H3O Ho E 12 10 4 0.959 109.052 121.29 0.4040
14 C4 Cg M 10 4 3 1.636 106.644 136.55 0.2250
15 H4 H1 E 14 10 4 1.091 108.604 98.33 0.0000
16 C5 Cg 3 14 10 4 1.626 107.413 -17.56 0.2710
17 H5 H1 E 16 14 10 1.091 108.621 126.81 0.0000
18 C6 Cg 3 16 14 10 1.543 115.360 -109.99 0.2810
19 H62 H1 E 18 16 14 1.091 109.980 67.38 0.0000
20 H61 H1 E 18 16 14 1.090 110.249 -51.87 0.0000
21 O6 Os E 18 16 14 1.443 110.886 -171.63 -0.4620
22 O5 Os E 16 14 10 1.587 104.732 10.45 -0.4520
23 O4 Os M 14 10 4 1.457 112.032 -142.43 -0.4690
LOOP
O5 C2
DONE
UBU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470
5 C1 Cg 3 4 3 2 1.553 52.999 -106.31 0.2990
6 H12 H1 E 5 4 3 1.091 110.361 37.48 0.0000
7 H11 H1 E 5 4 3 1.091 109.538 156.30 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 -83.60 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 -172.60 0.3820
10 O5 Os M 4 3 2 1.568 142.358 -178.86 -0.3850
11 C5 Cg M 10 4 3 1.582 113.720 173.86 0.2100
12 H5 H1 E 11 10 4 1.091 108.799 -121.64 0.0000
13 C6 Cg 3 11 10 4 1.541 109.962 118.91 0.3320
14 H62 H1 E 13 11 10 1.090 110.302 -58.44 0.0000
15 H61 H1 E 13 11 10 1.090 109.861 -177.80 0.0000
16 O6 Os E 13 11 10 1.442 110.695 62.46 -0.4860
17 C4 Cg M 11 10 4 1.624 104.801 -5.21 0.2830
18 H4 H1 E 17 11 10 1.091 107.561 -105.82 0.0000
19 C3 Cg B 17 11 10 1.637 107.577 11.31 0.3820
20 H3 H1 E 19 17 11 1.091 108.163 103.95 0.0000
21 O3 Oh S 19 17 11 1.455 110.878 -138.10 -0.7420
22 H3O Ho E 21 19 17 0.963 108.479 -160.63 0.4260
23 O4 Os M 17 11 10 1.453 112.691 135.08 -0.5150
LOOP
C3 C2
DONE
UCD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840
5 C1 Cg 3 4 3 2 1.556 9.626 -136.04 0.3700
6 H12 H1 E 5 4 3 1.091 109.651 88.60 0.0000
7 H11 H1 E 5 4 3 1.091 110.210 -152.55 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -31.57 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 49.38 0.4140
10 C3 Cg M 4 3 2 1.638 108.658 19.86 0.2820
11 H3 H1 E 10 4 3 1.091 111.006 -104.35 0.0000
12 O3 Oh S 10 4 3 1.460 111.917 16.34 -0.7160
13 H3O Ho E 12 10 4 0.965 109.355 -165.56 0.4320
14 C4 Cg M 10 4 3 1.638 106.495 134.41 0.3320
15 H4 H1 E 14 10 4 1.091 111.116 -136.07 0.0000
16 C5 Cg 3 14 10 4 1.621 107.987 -13.87 0.3090
17 H5 H1 E 16 14 10 1.092 110.544 126.66 0.0000
18 C6 Cg 3 16 14 10 1.538 111.506 -110.78 0.2650
19 H62 H1 E 18 16 14 1.091 109.952 69.16 0.0000
20 H61 H1 E 18 16 14 1.090 109.956 -49.70 0.0000
21 O6 Os E 18 16 14 1.442 111.246 -169.72 -0.4460
22 O5 Os E 16 14 10 1.584 104.926 8.85 -0.4980
23 O4 Os M 14 10 4 1.453 108.919 105.00 -0.5340
LOOP
O5 C2
DONE
UCU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390
5 C1 Cg 3 4 3 2 1.537 69.500 -144.67 0.2870
6 H12 H1 E 5 4 3 1.091 110.638 29.87 0.0000
7 H11 H1 E 5 4 3 1.091 109.952 149.16 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 -91.14 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 -179.97 0.4010
10 O5 Os M 4 3 2 1.575 147.962 122.92 -0.4490
11 C5 Cg M 10 4 3 1.577 112.749 -165.42 0.3100
12 H5 H1 E 11 10 4 1.092 109.362 -121.32 0.0000
13 C6 Cg 3 11 10 4 1.529 108.415 119.08 0.2720
14 H62 H1 E 13 11 10 1.091 110.618 -56.09 0.0000
15 H61 H1 E 13 11 10 1.090 110.315 -176.31 0.0000
16 O6 Os E 13 11 10 1.433 108.667 64.08 -0.4490
17 C4 Cg M 11 10 4 1.622 105.503 -1.90 0.2930
18 H4 H1 E 17 11 10 1.092 112.170 133.69 0.0000
19 C3 Cg B 17 11 10 1.624 107.882 8.77 0.3330
20 H3 H1 E 19 17 11 1.091 112.343 -135.61 0.0000
21 O3 Oh S 19 17 11 1.439 105.085 106.18 -0.6910
22 H3O Ho E 21 19 17 0.960 109.418 -177.11 0.4100
23 O4 Os M 17 11 10 1.434 107.738 -106.47 -0.5260
LOOP
C3 C2
DONE
UEA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 O2 Oh S 6 4 3 1.437 106.903 53.10 -0.6900
9 H2O Ho E 8 6 4 0.960 109.486 -57.88 0.4470
10 C3 Cg M 6 4 3 1.541 114.896 172.06 0.3280
11 H3 H1 E 10 6 4 1.091 110.106 -167.45 0.0000
12 O3 Oh S 10 6 4 1.442 106.866 75.38 -0.7140
13 H3O Ho E 12 10 6 0.960 109.461 58.71 0.4200
14 C4 Cg M 10 6 4 1.544 111.809 -45.05 0.2610
15 H4 H1 E 14 10 6 1.091 108.188 -68.68 0.0000
16 C5 Cg 3 14 10 6 1.541 113.133 51.50 0.3740
17 H5 H1 E 16 14 10 1.092 109.237 63.30 0.0000
18 C6 Cg 3 16 14 10 1.535 114.012 -174.39 0.2590
19 H62 H1 E 18 16 14 1.090 110.525 -56.55 0.0000
20 H61 H1 E 18 16 14 1.091 110.727 63.66 0.0000
21 O6 Os E 18 16 14 1.434 108.916 -175.95 -0.4510
22 O5 Os E 16 14 10 1.485 107.816 -54.81 -0.5870
23 O4 Os M 14 10 6 1.439 109.304 174.29 -0.5000
LOOP
O5 C1
DONE
UEB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Os E 9 7 6 1.439 109.977 57.72 -0.4630
13 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
14 H4 H1 E 13 7 6 1.091 108.584 66.50 0.0000
15 C3 Cg 3 13 7 6 1.554 111.196 -53.07 0.3150
16 H3 H1 E 15 13 7 1.091 109.198 176.72 0.0000
17 O3 Oh S 15 13 7 1.454 110.601 -64.53 -0.6810
18 H3O Ho E 17 15 13 0.965 108.397 -50.06 0.4030
19 C2 Cg B 15 13 7 1.540 111.264 55.77 0.1840
20 H2 H1 E 19 15 13 1.091 109.856 -175.33 0.0000
21 O2 Oh S 19 15 13 1.463 107.825 66.95 -0.6970
22 H2O Ho E 21 19 15 0.966 108.305 -175.24 0.4320
23 O4 Os M 13 7 6 1.457 110.564 -175.67 -0.4980
LOOP
C2 C1
DONE
UGA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 O2 Oh S 6 4 3 1.465 111.499 -41.43 -0.7130
9 H2O Ho E 8 6 4 0.967 109.170 -40.31 0.4370
10 C3 Cg M 6 4 3 1.543 111.424 -164.87 0.2860
11 H3 H1 E 10 6 4 1.092 109.239 69.49 0.0000
12 O3 Oh S 10 6 4 1.452 108.531 -172.18 -0.6990
13 H3O Ho E 12 10 6 0.967 107.382 -43.08 0.4270
14 C4 Cg M 10 6 4 1.547 112.114 -52.22 0.2540
15 H4 H1 E 14 10 6 1.092 109.454 -66.45 0.0000
16 C5 Cg 3 14 10 6 1.543 111.254 54.50 0.2830
17 H5 H1 E 16 14 10 1.092 108.261 65.38 0.0000
18 C6 Cg 3 16 14 10 1.546 112.538 -174.79 0.2760
19 H62 H1 E 18 16 14 1.090 110.682 -45.93 0.0000
20 H61 H1 E 18 16 14 1.091 110.014 73.31 0.0000
21 O6 Os E 18 16 14 1.444 110.823 -165.78 -0.4580
22 O5 Os E 16 14 10 1.500 109.539 -52.54 -0.5740
23 O4 Os M 14 10 6 1.451 108.956 174.69 -0.4680
LOOP
O5 C1
DONE
UGB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Os E 9 7 6 1.440 109.810 57.27 -0.4580
13 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
14 H4 H1 E 13 7 6 1.092 109.352 66.92 0.0000
15 C3 Cg 3 13 7 6 1.548 111.306 -54.04 0.2840
16 H3 H1 E 15 13 7 1.092 109.104 -67.30 0.0000
17 O3 Oh S 15 13 7 1.454 108.817 174.47 -0.7090
18 H3O Ho E 17 15 13 0.967 107.396 -174.95 0.4320
19 C2 Cg B 15 13 7 1.545 112.113 53.55 0.3100
20 H2 H1 E 19 15 13 1.092 109.394 68.33 0.0000
21 O2 Oh S 19 15 13 1.458 108.975 -172.91 -0.7180
22 H2O Ho E 21 19 15 0.966 108.053 175.61 0.4370
23 O4 Os M 13 7 6 1.448 108.899 -174.36 -0.4680
LOOP
C2 C1
DONE
UJD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920
5 C1 Cg 3 4 3 2 1.554 10.224 -140.48 0.3890
6 H12 H1 E 5 4 3 1.091 109.769 84.88 0.0000
7 H11 H1 E 5 4 3 1.091 110.219 -156.13 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -35.41 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 50.29 0.3800
10 C3 Cg M 4 3 2 1.637 108.016 16.20 0.3930
11 H3 H1 E 10 4 3 1.091 112.376 -99.86 0.0000
12 O3 Oh S 10 4 3 1.455 110.333 22.08 -0.7480
13 H3O Ho E 12 10 4 0.969 106.278 138.38 0.4460
14 C4 Cg M 10 4 3 1.642 105.965 138.66 0.2330
15 H4 H1 E 14 10 4 1.090 107.367 95.04 0.0000
16 C5 Cg 3 14 10 4 1.625 107.375 -19.81 0.1900
17 H5 H1 E 16 14 10 1.091 108.940 130.16 0.0000
18 C6 Cg 3 16 14 10 1.542 114.908 -106.54 0.3400
19 H62 H1 E 18 16 14 1.090 110.250 66.65 0.0000
20 H61 H1 E 18 16 14 1.090 110.186 -52.85 0.0000
21 O6 Os E 18 16 14 1.441 110.517 -172.30 -0.4940
22 O5 Os E 16 14 10 1.585 104.597 13.44 -0.4100
23 O4 Os M 14 10 4 1.458 113.311 -146.22 -0.4510
LOOP
O5 C2
DONE
UJU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510
5 C1 Cg 3 4 3 2 1.554 50.342 -105.76 0.3330
6 H12 H1 E 5 4 3 1.090 110.121 39.98 0.0000
7 H11 H1 E 5 4 3 1.090 109.574 158.57 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 -81.07 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 -173.81 0.4150
10 O5 Os M 4 3 2 1.569 141.794 -176.42 -0.3890
11 C5 Cg M 10 4 3 1.585 113.364 166.72 0.1000
12 H5 H1 E 11 10 4 1.089 109.200 -122.53 0.0000
13 C6 Cg 3 11 10 4 1.537 108.498 118.12 0.3490
14 H62 H1 E 13 11 10 1.089 110.316 -54.99 0.0000
15 H61 H1 E 13 11 10 1.090 111.054 -175.70 0.0000
16 O6 Os E 13 11 10 1.435 108.026 64.54 -0.4670
17 C4 Cg M 11 10 4 1.619 104.895 -5.59 0.2840
18 H4 H1 E 17 11 10 1.091 107.554 -103.32 0.0000
19 C3 Cg B 17 11 10 1.639 107.844 12.75 0.2230
20 H3 H1 E 19 17 11 1.090 110.597 -136.61 0.0000
21 O3 Oh S 19 17 11 1.460 109.186 103.85 -0.6710
22 H3O Ho E 21 19 17 0.971 106.808 -128.68 0.4160
23 O4 Os M 17 11 10 1.442 113.035 137.27 -0.4410
LOOP
C3 C2
DONE
UKA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 O2 Oh S 6 4 3 1.439 110.808 -54.40 -0.7160
9 H2O Ho E 8 6 4 0.960 109.409 -63.57 0.4270
10 C3 Cg M 6 4 3 1.544 115.219 178.76 0.3540
11 H3 H1 E 10 6 4 1.091 109.846 -171.16 0.0000
12 O3 Oh S 10 6 4 1.440 110.218 69.79 -0.7440
13 H3O Ho E 12 10 6 0.960 109.437 59.70 0.4360
14 C4 Cg M 10 6 4 1.541 111.196 -48.97 0.1960
15 H4 H1 E 14 10 6 1.091 109.723 170.85 0.0000
16 C5 Cg 3 14 10 6 1.549 113.058 48.50 0.3010
17 H5 H1 E 16 14 10 1.092 107.347 66.38 0.0000
18 C6 Cg 3 16 14 10 1.535 114.885 -173.99 0.2870
19 H62 H1 E 18 16 14 1.090 110.246 -52.70 0.0000
20 H61 H1 E 18 16 14 1.091 110.887 67.51 0.0000
21 O6 Os E 18 16 14 1.434 108.908 -172.15 -0.4630
22 O5 Os E 16 14 10 1.489 109.902 -50.90 -0.5400
23 O4 Os M 14 10 6 1.440 107.338 -72.13 -0.4860
LOOP
O5 C1
DONE
UKB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Os E 9 7 6 1.441 110.162 62.18 -0.4480
13 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
14 H4 H1 E 13 7 6 1.091 108.867 -172.31 0.0000
15 C3 Cg 3 13 7 6 1.545 111.117 -51.77 0.2530
16 H3 H1 E 15 13 7 1.091 109.391 173.95 0.0000
17 O3 Oh S 15 13 7 1.452 107.992 -68.85 -0.7100
18 H3O Ho E 17 15 13 0.968 107.267 175.38 0.4420
19 C2 Cg B 15 13 7 1.547 111.988 52.75 0.3080
20 H2 H1 E 19 15 13 1.091 108.509 65.85 0.0000
21 O2 Oh S 19 15 13 1.462 109.337 -176.76 -0.7100
22 H2O Ho E 21 19 15 0.965 108.091 178.76 0.4260
23 O4 Os M 13 7 6 1.455 110.952 69.39 -0.4690
LOOP
C2 C1
DONE
ULA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 O2 Oh S 6 4 3 1.440 109.403 -55.56 -0.7240
9 H2O Ho E 8 6 4 0.960 109.415 -61.40 0.4310
10 C3 Cg M 6 4 3 1.541 112.432 -178.15 0.2530
11 H3 H1 E 10 6 4 1.091 109.206 67.02 0.0000
12 O3 Oh S 10 6 4 1.440 110.035 -174.48 -0.7010
13 H3O Ho E 12 10 6 0.960 109.438 -57.69 0.4330
14 C4 Cg M 10 6 4 1.544 111.714 -53.08 0.2040
15 H4 H1 E 14 10 6 1.091 109.766 175.51 0.0000
16 C5 Cg 3 14 10 6 1.544 110.422 54.48 0.2160
17 H5 H1 E 16 14 10 1.092 107.514 62.91 0.0000
18 C6 Cg 3 16 14 10 1.535 114.934 -177.18 0.3080
19 H62 H1 E 18 16 14 1.090 110.251 -53.15 0.0000
20 H61 H1 E 18 16 14 1.091 110.918 67.08 0.0000
21 O6 Os E 18 16 14 1.434 108.858 -172.60 -0.4600
22 O5 Os E 16 14 10 1.490 109.289 -54.45 -0.5270
23 O4 Os M 14 10 6 1.445 109.785 -64.95 -0.4310
LOOP
O5 C1
DONE
ULB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Os E 9 7 6 1.437 109.027 63.12 -0.4680
13 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
14 H4 H1 E 13 7 6 1.091 109.333 -173.92 0.0000
15 C3 Cg 3 13 7 6 1.546 110.517 -53.62 0.2590
16 H3 H1 E 15 13 7 1.092 108.098 -64.81 0.0000
17 O3 Oh S 15 13 7 1.455 109.126 178.29 -0.6940
18 H3O Ho E 17 15 13 0.967 107.449 -176.92 0.4330
19 C2 Cg B 15 13 7 1.547 112.254 55.04 0.3570
20 H2 H1 E 19 15 13 1.092 109.716 67.43 0.0000
21 O2 Oh S 19 15 13 1.459 108.705 -173.71 -0.7260
22 H2O Ho E 21 19 15 0.965 107.724 175.67 0.4320
23 O4 Os M 13 7 6 1.449 109.628 67.34 -0.4210
LOOP
C2 C1
DONE
UMA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 O2 Oh S 6 4 3 1.459 110.007 79.71 -0.7170
9 H2O Ho E 8 6 4 0.965 108.621 167.29 0.4460
10 C3 Cg M 6 4 3 1.545 110.571 -158.93 0.2520
11 H3 H1 E 10 6 4 1.092 108.528 64.93 0.0000
12 O3 Oh S 10 6 4 1.461 109.595 -177.93 -0.6960
13 H3O Ho E 12 10 6 0.964 109.699 -74.81 0.4310
14 C4 Cg M 10 6 4 1.549 111.609 -54.79 0.3260
15 H4 H1 E 14 10 6 1.091 109.865 -64.38 0.0000
16 C5 Cg 3 14 10 6 1.546 110.605 57.15 0.2760
17 H5 H1 E 16 14 10 1.092 108.214 65.71 0.0000
18 C6 Cg 3 16 14 10 1.544 112.153 -174.59 0.2660
19 H62 H1 E 18 16 14 1.090 110.579 -46.84 0.0000
20 H61 H1 E 18 16 14 1.091 110.051 72.33 0.0000
21 O6 Os E 18 16 14 1.444 110.952 -166.67 -0.4600
22 O5 Os E 16 14 10 1.497 110.394 -52.31 -0.5070
23 O4 Os M 14 10 6 1.452 108.734 176.59 -0.4890
LOOP
O5 C1
DONE
UMB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Os E 9 7 6 1.439 109.850 57.44 -0.4550
13 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
14 H4 H1 E 13 7 6 1.091 109.789 70.94 0.0000
15 C3 Cg 3 13 7 6 1.553 110.419 -50.51 0.2630
16 H3 H1 E 15 13 7 1.092 108.588 -60.79 0.0000
17 O3 Oh S 15 13 7 1.457 111.995 -178.50 -0.6920
18 H3O Ho E 17 15 13 0.962 109.624 81.59 0.4300
19 C2 Cg B 15 13 7 1.547 110.623 57.43 0.2410
20 H2 H1 E 19 15 13 1.091 110.076 180.00 0.0000
21 O2 Oh S 19 15 13 1.459 110.769 59.28 -0.6640
22 H2O Ho E 21 19 15 0.964 107.524 -173.81 0.4310
23 O4 Os M 13 7 6 1.452 108.352 -170.58 -0.4970
LOOP
C2 C1
DONE
UNA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 O2 Oh S 6 4 3 1.439 110.664 -54.19 -0.6680
9 H2O Ho E 8 6 4 0.960 109.386 -64.68 0.4150
10 C3 Cg M 6 4 3 1.541 114.996 179.46 0.3300
11 H3 H1 E 10 6 4 1.091 109.966 -173.17 0.0000
12 O3 Oh S 10 6 4 1.445 109.604 67.22 -0.7140
13 H3O Ho E 12 10 6 0.960 109.446 176.58 0.4410
14 C4 Cg M 10 6 4 1.543 108.602 -52.73 0.1670
15 H4 H1 E 14 10 6 1.091 108.011 -66.83 0.0000
16 C5 Cg 3 14 10 6 1.545 113.659 53.52 0.4040
17 H5 H1 E 16 14 10 1.092 109.059 65.09 0.0000
18 C6 Cg 3 16 14 10 1.535 113.747 -172.97 0.2800
19 H62 H1 E 18 16 14 1.090 110.540 -56.41 0.0000
20 H61 H1 E 18 16 14 1.091 110.668 63.75 0.0000
21 O6 Os E 18 16 14 1.434 109.011 -175.88 -0.4610
22 O5 Os E 16 14 10 1.489 108.589 -53.11 -0.6110
23 O4 Os M 14 10 6 1.439 109.206 176.30 -0.4830
LOOP
O5 C1
DONE
UNB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Os E 9 7 6 1.438 109.178 57.79 -0.4650
13 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
14 H4 H1 E 13 7 6 1.091 108.641 63.49 0.0000
15 C3 Cg 3 13 7 6 1.546 111.303 -56.16 0.2340
16 H3 H1 E 15 13 7 1.092 109.685 177.82 0.0000
17 O3 Oh S 15 13 7 1.458 109.719 -63.09 -0.6150
18 H3O Ho E 17 15 13 0.967 107.516 169.04 0.3890
19 C2 Cg B 15 13 7 1.544 109.920 57.50 0.3010
20 H2 H1 E 19 15 13 1.093 108.226 64.66 0.0000
21 O2 Oh S 19 15 13 1.458 109.185 -178.16 -0.7030
22 H2O Ho E 21 19 15 0.966 108.382 -178.62 0.4240
23 O4 Os M 13 7 6 1.447 110.674 -178.31 -0.4710
LOOP
C2 C1
DONE
UPD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240
5 C1 Cg 3 4 3 2 1.533 28.030 -160.44 0.2860
6 H12 H1 E 5 4 3 1.091 110.436 100.46 0.0000
7 H11 H1 E 5 4 3 1.091 110.553 -139.51 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 -19.62 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 179.30 0.4190
10 C3 Cg M 4 3 2 1.632 94.644 -17.33 0.3340
11 H3 H1 E 10 4 3 1.090 107.716 7.04 0.0000
12 O3 Oh S 10 4 3 1.441 114.290 -111.78 -0.6610
13 H3O Ho E 12 10 4 0.960 109.502 178.91 0.4150
14 C4 Cg M 10 4 3 1.629 107.129 121.35 0.2820
15 H4 H1 E 14 10 4 1.091 111.828 -141.87 0.0000
16 C5 Cg 3 14 10 4 1.626 106.867 -18.01 0.1940
17 H5 H1 E 16 14 10 1.092 111.109 129.12 0.0000
18 C6 Cg 3 16 14 10 1.529 112.801 -107.47 0.2910
19 H62 H1 E 18 16 14 1.091 110.695 60.83 0.0000
20 H61 H1 E 18 16 14 1.090 110.281 -59.44 0.0000
21 O6 Os E 18 16 14 1.433 108.604 -178.96 -0.4780
22 O5 Os E 16 14 10 1.580 105.532 10.85 -0.4530
23 O4 Os M 14 10 4 1.437 109.593 96.29 -0.4560
LOOP
O5 C2
DONE
UPU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880
5 C1 Cg 3 4 3 2 1.541 66.606 -151.42 0.3650
6 H12 H1 E 5 4 3 1.091 110.660 23.30 0.0000
7 H11 H1 E 5 4 3 1.090 109.918 142.71 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 -97.59 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 179.45 0.4180
10 O5 Os M 4 3 2 1.576 153.289 123.56 -0.4800
11 C5 Cg M 10 4 3 1.576 112.884 -156.65 0.3690
12 H5 H1 E 11 10 4 1.092 109.275 -128.49 0.0000
13 C6 Cg 3 11 10 4 1.529 108.414 112.31 0.2150
14 H62 H1 E 13 11 10 1.091 110.659 -56.54 0.0000
15 H61 H1 E 13 11 10 1.090 110.301 -176.80 0.0000
16 O6 Os E 13 11 10 1.433 108.649 63.62 -0.4510
17 C4 Cg M 11 10 4 1.623 105.494 -8.76 0.1920
18 H4 H1 E 17 11 10 1.091 112.074 133.66 0.0000
19 C3 Cg B 17 11 10 1.631 107.338 11.41 0.3340
20 H3 H1 E 19 17 11 1.091 107.070 107.51 0.0000
21 O3 Oh S 19 17 11 1.441 112.809 -134.73 -0.7140
22 H3O Ho E 21 19 17 0.960 109.493 -55.92 0.4240
23 O4 Os M 17 11 10 1.438 106.122 -107.17 -0.4670
LOOP
C3 C2
DONE
UTA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 O2 Oh S 6 4 3 1.440 106.453 57.61 -0.6550
9 H2O Ho E 8 6 4 0.960 109.490 -58.28 0.4360
10 C3 Cg M 6 4 3 1.545 112.024 178.31 0.1240
11 H3 H1 E 10 6 4 1.091 106.708 69.61 0.0000
12 O3 Oh S 10 6 4 1.439 110.774 -174.86 -0.6870
13 H3O Ho E 12 10 6 0.960 109.479 -54.69 0.4420
14 C4 Cg M 10 6 4 1.543 114.910 -48.48 0.4340
15 H4 H1 E 14 10 6 1.091 109.633 172.69 0.0000
16 C5 Cg 3 14 10 6 1.544 109.739 52.34 0.1570
17 H5 H1 E 16 14 10 1.092 107.463 63.77 0.0000
18 C6 Cg 3 16 14 10 1.535 114.896 -176.35 0.3040
19 H62 H1 E 18 16 14 1.090 110.263 -52.86 0.0000
20 H61 H1 E 18 16 14 1.091 110.896 67.37 0.0000
21 O6 Os E 18 16 14 1.434 108.863 -172.31 -0.4620
22 O5 Os E 16 14 10 1.488 109.541 -53.52 -0.4800
23 O4 Os M 14 10 6 1.443 110.261 -67.82 -0.5080
LOOP
O5 C1
DONE
UTB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Os E 9 7 6 1.434 108.837 64.00 -0.4540
13 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
14 H4 H1 E 13 7 6 1.091 109.475 -172.25 0.0000
15 C3 Cg 3 13 7 6 1.547 110.218 -51.66 0.1740
16 H3 H1 E 15 13 7 1.091 106.762 -67.21 0.0000
17 O3 Oh S 15 13 7 1.439 110.707 177.22 -0.6780
18 H3O Ho E 17 15 13 0.960 109.373 -64.34 0.4250
19 C2 Cg B 15 13 7 1.545 114.890 50.96 0.3400
20 H2 H1 E 19 15 13 1.091 109.957 -172.30 0.0000
21 O2 Oh S 19 15 13 1.444 109.766 67.90 -0.6370
22 H2O Ho E 21 19 15 0.960 109.413 -178.32 0.3970
23 O4 Os M 13 7 6 1.443 108.917 69.31 -0.4070
LOOP
C2 C1
DONE
UVA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.481 98.684 -135.89 0.3890
5 H1 H2 E 4 3 2 1.090 143.995 158.32 0.0000
6 C2 Cg M 4 3 2 1.564 98.936 18.14 0.3990
7 H2 H1 E 6 4 3 1.092 107.476 -151.91 0.0000
8 N2 Ng B 6 4 3 1.483 111.776 89.86 -0.5950
9 H2N H E 8 6 4 1.007 117.335 -84.05 0.2380
10 C2N C B 8 6 4 1.336 122.570 82.01 0.6250
11 CME Cg 3 10 8 6 1.541 116.317 -175.68 0.0320
12 H3M Hc E 11 10 8 1.091 110.069 50.52 0.0000
13 H2M Hc E 11 10 8 1.091 110.181 170.34 0.0000
14 H1M Hc E 11 10 8 1.091 109.644 -69.76 0.0000
15 O2N O E 10 8 6 1.227 121.897 4.65 -0.6050
16 C3 Cg M 6 4 3 1.551 110.856 -34.26 0.1760
17 H3 H1 E 16 6 4 1.091 108.463 65.04 0.0000
18 O3 Oh S 16 6 4 1.462 112.217 -176.56 -0.6780
19 H3O Ho E 18 16 6 0.964 110.475 -57.52 0.4250
20 C4 Cg M 16 6 4 1.547 111.657 -53.80 0.3260
21 H4 H1 E 20 16 6 1.091 109.161 175.84 0.0000
22 C5 Cg 3 20 16 6 1.548 111.081 55.51 0.1120
23 H5 H1 E 22 20 16 1.091 106.814 64.45 0.0000
24 C6 Cg 3 22 20 16 1.543 114.704 -178.15 0.3620
25 H62 H1 E 24 22 20 1.090 110.167 -176.18 0.0000
26 H61 H1 E 24 22 20 1.090 109.608 -57.43 0.0000
27 O6 Os E 24 22 20 1.435 111.052 62.92 -0.4810
28 O5 Os E 22 20 16 1.497 110.914 -51.89 -0.4660
29 O4 Os M 20 16 6 1.450 108.917 -66.09 -0.4530
LOOP
O5 C1
DONE
UVB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.423 98.572 -136.34 0.3050
5 H1 H2 E 4 3 2 1.091 71.466 -92.28 0.0000
6 O5 Os M 4 3 2 1.472 131.894 169.48 -0.4080
7 C5 Cg M 6 4 3 1.495 116.111 147.03 0.1360
8 H5 H1 E 7 6 4 1.092 107.966 -63.70 0.0000
9 C6 Cg 3 7 6 4 1.539 109.857 178.62 0.3530
10 H62 H1 E 9 7 6 1.090 110.929 -56.55 0.0000
11 H61 H1 E 9 7 6 1.091 110.331 -176.87 0.0000
12 O6 Os E 9 7 6 1.436 108.896 63.69 -0.4810
13 C4 Cg M 7 6 4 1.544 110.300 53.58 0.2530
14 H4 H1 E 13 7 6 1.091 109.265 -173.55 0.0000
15 C3 Cg 3 13 7 6 1.544 111.265 -52.85 0.1520
16 H3 H1 E 15 13 7 1.092 108.104 -62.30 0.0000
17 O3 Oh S 15 13 7 1.462 108.677 -178.29 -0.6650
18 H3O Ho E 17 15 13 0.963 111.335 83.35 0.4150
19 C2 Cg B 15 13 7 1.558 111.369 56.32 0.5440
20 H2 H1 E 19 15 13 1.091 108.714 61.92 0.0000
21 N2 Ng B 19 15 13 1.481 110.595 -177.69 -0.6860
22 H2N H E 21 19 15 1.005 118.080 75.06 0.2540
23 C2N C B 21 19 15 1.336 122.747 -106.72 0.5860
24 O2N O E 23 21 19 1.227 122.402 0.23 -0.5640
25 CME Cg 3 23 21 19 1.543 116.272 179.61 0.0560
26 H3M Hc E 25 23 21 1.092 110.645 35.56 0.0000
27 H2M Hc E 25 23 21 1.091 109.982 155.53 0.0000
28 H1M Hc E 25 23 21 1.091 109.419 -84.79 0.0000
29 O4 Os M 13 7 6 1.445 109.653 67.69 -0.4440
LOOP
C2 C1
DONE
UWA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.550 -135.71 0.4621
5 H1 H2 E 4 3 2 1.090 140.848 159.80 0.0000
6 C2 Cg M 4 3 2 1.554 101.409 17.32 0.2750
7 H2 H1 E 6 4 3 1.092 108.155 87.79 0.0000
8 N2 Ng B 6 4 3 1.482 111.229 -154.80 -0.4751
9 H2N H E 8 6 4 1.007 117.562 110.34 0.2142
10 C2N C B 8 6 4 1.336 123.787 -73.97 0.5909
11 CME Cg 3 10 8 6 1.539 115.681 -177.62 -0.0340
12 H3M Hc E 11 10 8 1.091 109.810 -60.19 0.0000
13 H2M Hc E 11 10 8 1.091 110.252 179.93 0.0000
14 H1M Hc E 11 10 8 1.091 109.868 60.00 0.0000
15 O2N O E 10 8 6 1.229 122.265 3.32 -0.5757
16 C3 Cg M 6 4 3 1.549 109.899 -30.46 0.2520
17 H3 H1 E 16 6 4 1.091 108.295 65.94 0.0000
18 O3 Oh S 16 6 4 1.455 110.348 -176.42 -0.6987
19 H3O Ho E 18 16 6 0.965 109.543 171.31 0.4159
20 C4 Cg M 16 6 4 1.550 112.400 -53.90 0.3213
21 H4 H1 E 20 16 6 1.091 108.333 -69.37 0.0000
22 C5 Cg 3 20 16 6 1.547 112.664 51.61 0.2421
23 H5 H1 E 22 20 16 1.092 107.873 70.23 0.0000
24 C6 Cg 3 22 20 16 1.545 113.564 -171.33 0.2995
25 H62 H1 E 24 22 20 1.090 109.575 173.73 0.0000
26 H61 H1 E 24 22 20 1.090 109.924 -68.06 0.0000
27 O6 Os E 24 22 20 1.443 112.033 52.74 -0.4599
28 O5 Os E 22 20 16 1.495 111.317 -46.63 -0.5415
29 O4 Os M 20 16 6 1.458 109.485 172.59 -0.4821
LOOP
O5 C1
DONE
UWB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.516 98.511 -136.43 0.3870
5 H1 H2 E 4 3 2 1.091 72.898 -90.19 0.0000
6 O5 Os M 4 3 2 1.464 129.676 168.95 -0.4980
7 C5 Cg M 6 4 3 1.498 114.507 143.60 0.3210
8 H5 H1 E 7 6 4 1.092 108.050 -62.29 0.0000
9 C6 Cg 3 7 6 4 1.542 108.838 -179.98 0.2470
10 H62 H1 E 9 7 6 1.091 110.098 -62.68 0.0000
11 H61 H1 E 9 7 6 1.090 110.437 177.81 0.0000
12 O6 Os E 9 7 6 1.442 110.379 57.48 -0.4440
13 C4 Cg M 7 6 4 1.549 109.860 56.38 0.2770
14 H4 H1 E 13 7 6 1.092 109.334 70.38 0.0000
15 C3 Cg 3 13 7 6 1.551 111.754 -50.66 0.2170
16 H3 H1 E 15 13 7 1.092 108.749 -66.35 0.0000
17 O3 Oh S 15 13 7 1.458 109.433 176.28 -0.6580
18 H3O Ho E 17 15 13 0.972 110.221 -149.04 0.4130
19 C2 Cg B 15 13 7 1.550 112.012 52.70 0.2940
20 H2 H1 E 19 15 13 1.092 107.937 -171.40 0.0000
21 N2 Ng B 19 15 13 1.485 111.811 69.61 -0.5580
22 H2N H E 21 19 15 1.007 117.378 -91.94 0.2650
23 C2N C B 21 19 15 1.337 123.528 90.12 0.5850
24 O2N O E 23 21 19 1.229 121.350 -4.57 -0.6000
25 CME Cg 3 23 21 19 1.544 116.722 177.13 0.0560
26 H3M Hc E 25 23 21 1.092 111.211 -15.23 0.0000
27 H2M Hc E 25 23 21 1.091 109.840 -135.47 0.0000
28 H1M Hc E 25 23 21 1.090 109.199 104.92 0.0000
29 O4 Os M 13 7 6 1.447 108.932 -170.99 -0.4980
LOOP
C2 C1
DONE
UYA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.519 98.653 -135.65 0.4680
5 H1 H2 E 4 3 2 1.090 141.692 162.29 0.0000
6 C2 Cg M 4 3 2 1.558 103.961 13.89 0.2450
7 H2 H1 E 6 4 3 1.092 106.853 -149.41 0.0000
8 N2 Ng B 6 4 3 1.486 111.224 93.53 -0.5520
9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360
10 C2N C B 8 6 4 1.338 124.714 152.48 0.5880
11 CME Cg 3 10 8 6 1.544 117.110 -175.73 0.0630
12 H3M Hc E 11 10 8 1.092 111.363 2.06 0.0000
13 H2M Hc E 11 10 8 1.091 109.387 122.31 0.0000
14 H1M Hc E 11 10 8 1.090 109.379 -118.32 0.0000
15 O2N O E 10 8 6 1.228 121.379 4.88 -0.5790
16 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650
17 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000
18 O3 Oh S 16 6 4 1.457 109.988 -171.07 -0.6300
19 H3O Ho E 18 16 6 0.977 109.893 -12.80 0.4130
20 C4 Cg M 16 6 4 1.546 112.211 -50.71 0.3220
21 H4 H1 E 20 16 6 1.091 108.977 -70.26 0.0000
22 C5 Cg 3 20 16 6 1.544 112.523 51.74 0.2460
23 H5 H1 E 22 20 16 1.092 108.088 68.11 0.0000
24 C6 Cg 3 22 20 16 1.544 112.817 -173.43 0.3280
25 H62 H1 E 24 22 20 1.090 110.073 -62.63 0.0000
26 H61 H1 E 24 22 20 1.090 109.603 179.01 0.0000
27 O6 Os E 24 22 20 1.444 111.701 58.39 -0.4610
28 O5 Os E 22 20 16 1.500 111.305 -49.14 -0.5680
29 O4 Os M 20 16 6 1.448 107.905 171.55 -0.4780
LOOP
O5 C1
DONE
UYB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.493 98.498 -136.36 0.2870
5 H1 H2 E 4 3 2 1.091 71.450 -93.59 0.0000
6 O5 Os M 4 3 2 1.468 130.511 167.53 -0.4330
7 C5 Cg M 6 4 3 1.493 115.188 144.42 0.2080
8 H5 H1 E 7 6 4 1.092 108.293 -60.80 0.0000
9 C6 Cg 3 7 6 4 1.540 109.520 -179.10 0.2890
10 H62 H1 E 9 7 6 1.091 110.298 -62.00 0.0000
11 H61 H1 E 9 7 6 1.090 110.526 178.17 0.0000
12 O6 Os E 9 7 6 1.439 109.712 58.17 -0.4590
13 C4 Cg M 7 6 4 1.542 108.679 57.57 0.3020
14 H4 H1 E 13 7 6 1.092 109.552 66.23 0.0000
15 C3 Cg 3 13 7 6 1.547 111.743 -55.34 0.1800
16 H3 H1 E 15 13 7 1.092 108.855 -63.61 0.0000
17 O3 Oh S 15 13 7 1.462 108.350 179.31 -0.6810
18 H3O Ho E 17 15 13 0.964 110.728 170.98 0.4230
19 C2 Cg B 15 13 7 1.555 110.847 55.82 0.4800
20 H2 H1 E 19 15 13 1.092 108.016 63.51 0.0000
21 N2 Ng B 19 15 13 1.484 110.897 -176.40 -0.7220
22 H2N H E 21 19 15 1.006 117.592 78.54 0.3000
23 C2N C B 21 19 15 1.336 123.143 -111.93 0.6480
24 O2N O E 23 21 19 1.226 122.116 6.61 -0.5760
25 CME Cg 3 23 21 19 1.542 116.434 -175.43 0.0340
26 H3M Hc E 25 23 21 1.092 110.630 37.74 0.0000
27 H2M Hc E 25 23 21 1.091 110.076 157.79 0.0000
28 H1M Hc E 25 23 21 1.091 109.335 -82.58 0.0000
29 O4 Os M 13 7 6 1.444 108.611 -175.00 -0.4740
LOOP
C2 C1
DONE
UbD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410
5 C1 Cg 3 4 3 2 1.546 22.070 -155.25 0.3130
6 H11 H1 E 5 4 3 1.091 109.856 0.87 0.0000
7 H12 H1 E 5 4 3 1.090 110.325 119.99 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -119.49 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 163.85 0.4140
10 O5 Os M 4 3 2 1.565 96.957 71.60 -0.4520
11 C5 Cg M 10 4 3 1.587 113.494 153.37 0.2710
12 H5 H1 E 11 10 4 1.091 109.010 115.27 0.0000
13 C6 Cg 3 11 10 4 1.543 109.502 -125.08 0.2810
14 H61 H1 E 13 11 10 1.090 110.249 169.67 0.0000
15 H62 H1 E 13 11 10 1.091 109.980 50.42 0.0000
16 O6 Os E 13 11 10 1.443 110.886 -70.57 -0.4620
17 C4 Cg M 11 10 4 1.626 104.732 -0.82 0.2250
18 H4 H1 E 17 11 10 1.091 107.421 106.22 0.0000
19 C3 Cg B 17 11 10 1.636 107.413 -10.45 0.4400
20 H3 H1 E 19 17 11 1.090 107.628 -98.64 0.0000
21 O3 Oh S 19 17 11 1.453 110.696 144.44 -0.7320
22 H3O Ho E 21 19 17 0.959 109.052 117.13 0.4040
23 O4 Os M 17 11 10 1.457 113.168 -134.63 -0.4690
LOOP
C3 C2
DONE
UbU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470
5 C1 Cg 3 4 3 2 1.553 43.383 -64.68 0.2990
6 H11 H1 E 5 4 3 1.091 109.538 173.60 0.0000
7 H12 H1 E 5 4 3 1.091 110.361 -67.58 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 53.50 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 172.60 0.3820
10 C3 Cg M 4 3 2 1.635 135.193 -142.32 0.3820
11 H3 H1 E 10 4 3 1.091 108.980 -85.98 0.0000
12 O3 Oh S 10 4 3 1.455 113.678 34.22 -0.7420
13 H3O Ho E 12 10 4 0.963 108.479 -78.45 0.4260
14 C4 Cg M 10 4 3 1.637 107.249 157.15 0.2830
15 H4 H1 E 14 10 4 1.091 108.865 -102.82 0.0000
16 C5 Cg 3 14 10 4 1.624 107.577 13.45 0.2100
17 H5 H1 E 16 14 10 1.091 108.969 -127.62 0.0000
18 C6 Cg 3 16 14 10 1.541 114.994 109.54 0.3320
19 H61 H1 E 18 16 14 1.090 109.861 59.82 0.0000
20 H62 H1 E 18 16 14 1.090 110.302 -59.54 0.0000
21 O6 Os E 18 16 14 1.442 110.695 179.56 -0.4860
22 O5 Os E 16 14 10 1.582 104.801 -11.31 -0.3850
23 O4 Os M 14 10 4 1.453 111.864 137.73 -0.5150
LOOP
O5 C2
DONE
UcD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840
5 C1 Cg 3 4 3 2 1.556 17.540 -147.50 0.3700
6 H11 H1 E 5 4 3 1.091 110.210 18.90 0.0000
7 H12 H1 E 5 4 3 1.091 109.651 137.75 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -102.08 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 -49.38 0.4140
10 O5 Os M 4 3 2 1.564 97.899 67.10 -0.4980
11 C5 Cg M 10 4 3 1.584 113.350 147.62 0.3090
12 H5 H1 E 11 10 4 1.092 109.375 118.93 0.0000
13 C6 Cg 3 11 10 4 1.538 110.489 -119.98 0.2650
14 H61 H1 E 13 11 10 1.090 109.956 165.98 0.0000
15 H62 H1 E 13 11 10 1.091 109.952 47.12 0.0000
16 O6 Os E 13 11 10 1.442 111.246 -74.00 -0.4460
17 C4 Cg M 11 10 4 1.621 104.926 0.33 0.3320
18 H4 H1 E 17 11 10 1.091 111.196 -131.00 0.0000
19 C3 Cg B 17 11 10 1.638 107.987 -8.85 0.2820
20 H3 H1 E 19 17 11 1.091 111.251 134.95 0.0000
21 O3 Oh S 19 17 11 1.460 108.216 -106.61 -0.7160
22 H3O Ho E 21 19 17 0.965 109.355 -77.40 0.4320
23 O4 Os M 17 11 10 1.453 109.530 109.63 -0.5340
LOOP
C3 C2
DONE
UcU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390
5 C1 Cg 3 4 3 2 1.537 53.448 -6.93 0.2870
6 H11 H1 E 5 4 3 1.091 109.952 -154.15 0.0000
7 H12 H1 E 5 4 3 1.091 110.638 -34.86 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 86.15 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 179.97 0.4010
10 C3 Cg M 4 3 2 1.636 113.047 -107.26 0.3330
11 H3 H1 E 10 4 3 1.091 111.948 41.20 0.0000
12 O3 Oh S 10 4 3 1.439 111.311 -80.89 -0.6910
13 H3O Ho E 12 10 4 0.960 109.418 61.51 0.4100
14 C4 Cg M 10 4 3 1.624 107.103 164.76 0.2930
15 H4 H1 E 14 10 4 1.092 112.868 136.79 0.0000
16 C5 Cg 3 14 10 4 1.622 107.882 12.29 0.3100
17 H5 H1 E 16 14 10 1.092 110.981 -127.12 0.0000
18 C6 Cg 3 16 14 10 1.529 112.711 109.36 0.2720
19 H61 H1 E 18 16 14 1.090 110.315 59.90 0.0000
20 H62 H1 E 18 16 14 1.091 110.618 -60.32 0.0000
21 O6 Os E 18 16 14 1.433 108.667 179.51 -0.4490
22 O5 Os E 16 14 10 1.577 105.503 -8.77 -0.4490
23 O4 Os M 14 10 4 1.434 107.032 -103.41 -0.5260
LOOP
O5 C2
DONE
UeA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Os E 9 7 6 1.434 108.916 -64.43 -0.4510
13 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
14 H4 H1 E 13 7 6 1.091 108.456 -65.22 0.0000
15 C3 Cg 3 13 7 6 1.544 113.133 54.81 0.3280
16 H3 H1 E 15 13 7 1.091 109.843 -174.05 0.0000
17 O3 Oh S 15 13 7 1.442 110.012 67.08 -0.7140
18 H3O Ho E 17 15 13 0.960 109.461 179.72 0.4200
19 C2 Cg B 15 13 7 1.541 111.809 -51.50 0.1790
20 H2 H1 E 19 15 13 1.092 109.967 169.74 0.0000
21 O2 Oh S 19 15 13 1.437 107.327 -73.67 -0.6900
22 H2O Ho E 21 19 15 0.960 109.486 -178.36 0.4470
23 O4 Os M 13 7 6 1.439 109.886 177.28 -0.5000
LOOP
C2 C1
DONE
UeB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 O2 Oh S 6 4 3 1.463 112.571 -104.80 -0.6970
9 H2O Ho E 8 6 4 0.966 108.305 55.11 0.4320
10 C3 Cg M 6 4 3 1.540 108.887 135.69 0.3150
11 H3 H1 E 10 6 4 1.091 109.473 176.26 0.0000
12 O3 Oh S 10 6 4 1.454 108.210 -66.23 -0.6810
13 H3O Ho E 12 10 6 0.965 108.397 172.17 0.4030
14 C4 Cg M 10 6 4 1.554 111.264 55.47 0.3200
15 H4 H1 E 14 10 6 1.091 108.716 63.72 0.0000
16 C5 Cg 3 14 10 6 1.549 111.196 -55.77 0.2570
17 H5 H1 E 16 14 10 1.092 109.111 -65.44 0.0000
18 C6 Cg 3 16 14 10 1.541 112.018 174.42 0.2780
19 H61 H1 E 18 16 14 1.090 110.614 60.34 0.0000
20 H62 H1 E 18 16 14 1.091 110.136 -59.38 0.0000
21 O6 Os E 18 16 14 1.439 109.977 -179.42 -0.4630
22 O5 Os E 16 14 10 1.501 109.730 53.07 -0.5320
23 O4 Os M 14 10 6 1.457 110.079 -178.65 -0.4980
LOOP
O5 C1
DONE
UgA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Os E 9 7 6 1.444 110.823 -72.03 -0.4580
13 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
14 H4 H1 E 13 7 6 1.092 109.342 -68.48 0.0000
15 C3 Cg 3 13 7 6 1.547 111.254 52.54 0.2860
16 H3 H1 E 15 13 7 1.092 109.616 66.99 0.0000
17 O3 Oh S 15 13 7 1.452 108.604 -174.42 -0.6990
18 H3O Ho E 17 15 13 0.967 107.382 165.20 0.4270
19 C2 Cg B 15 13 7 1.543 112.114 -54.50 0.2460
20 H2 H1 E 19 15 13 1.091 108.373 -65.99 0.0000
21 O2 Oh S 19 15 13 1.465 110.086 176.46 -0.7130
22 H2O Ho E 21 19 15 0.967 109.170 -83.89 0.4370
23 O4 Os M 13 7 6 1.451 108.995 172.71 -0.4680
LOOP
C2 C1
DONE
UgB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 O2 Oh S 6 4 3 1.458 110.080 20.25 -0.7180
9 H2O Ho E 8 6 4 0.966 108.053 -54.43 0.4370
10 C3 Cg M 6 4 3 1.545 110.380 140.59 0.2840
11 H3 H1 E 10 6 4 1.092 109.008 -69.00 0.0000
12 O3 Oh S 10 6 4 1.454 109.219 172.60 -0.7090
13 H3O Ho E 12 10 6 0.967 107.396 52.27 0.4320
14 C4 Cg M 10 6 4 1.548 112.113 51.91 0.2760
15 H4 H1 E 14 10 6 1.092 109.378 67.39 0.0000
16 C5 Cg 3 14 10 6 1.543 111.306 -53.55 0.2250
17 H5 H1 E 16 14 10 1.092 109.126 -64.00 0.0000
18 C6 Cg 3 16 14 10 1.541 112.515 175.39 0.2820
19 H61 H1 E 18 16 14 1.090 110.609 61.43 0.0000
20 H62 H1 E 18 16 14 1.091 110.212 -58.37 0.0000
21 O6 Os E 18 16 14 1.440 109.810 -178.39 -0.4580
22 O5 Os E 16 14 10 1.495 108.909 54.04 -0.4710
23 O4 Os M 14 10 6 1.448 109.104 -173.75 -0.4680
LOOP
O5 C1
DONE
UjD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920
5 C1 Cg 3 4 3 2 1.554 16.572 -148.09 0.3890
6 H11 H1 E 5 4 3 1.091 110.219 17.52 0.0000
7 H12 H1 E 5 4 3 1.091 109.769 136.51 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -103.20 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 -50.29 0.3800
10 O5 Os M 4 3 2 1.567 99.436 71.06 -0.4100
11 C5 Cg M 10 4 3 1.585 113.292 149.88 0.1900
12 H5 H1 E 11 10 4 1.091 109.254 118.42 0.0000
13 C6 Cg 3 11 10 4 1.542 109.417 -121.68 0.3400
14 H61 H1 E 13 11 10 1.090 110.186 170.13 0.0000
15 H62 H1 E 13 11 10 1.090 110.250 50.63 0.0000
16 O6 Os E 13 11 10 1.441 110.517 -70.42 -0.4940
17 C4 Cg M 11 10 4 1.625 104.597 1.92 0.2330
18 H4 H1 E 17 11 10 1.090 107.076 101.60 0.0000
19 C3 Cg B 17 11 10 1.642 107.375 -13.44 0.3930
20 H3 H1 E 19 17 11 1.091 111.073 142.12 0.0000
21 O3 Oh S 19 17 11 1.455 107.927 -98.38 -0.7480
22 H3O Ho E 21 19 17 0.969 106.278 -23.03 0.4460
23 O4 Os M 17 11 10 1.458 113.707 -139.62 -0.4510
LOOP
C3 C2
DONE
UjU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510
5 C1 Cg 3 4 3 2 1.554 41.375 -67.07 0.3330
6 H11 H1 E 5 4 3 1.090 109.574 170.02 0.0000
7 H12 H1 E 5 4 3 1.090 110.121 -71.39 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 49.66 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 173.81 0.4150
10 C3 Cg M 4 3 2 1.643 134.152 -137.11 0.2230
11 H3 H1 E 10 4 3 1.090 111.499 28.62 0.0000
12 O3 Oh S 10 4 3 1.460 110.322 -92.24 -0.6710
13 H3O Ho E 12 10 4 0.971 106.808 11.93 0.4160
14 C4 Cg M 10 4 3 1.639 106.529 149.37 0.2840
15 H4 H1 E 14 10 4 1.091 107.844 -100.60 0.0000
16 C5 Cg 3 14 10 4 1.619 107.844 15.28 0.1000
17 H5 H1 E 16 14 10 1.089 109.205 -129.69 0.0000
18 C6 Cg 3 16 14 10 1.537 115.282 106.51 0.3490
19 H61 H1 E 18 16 14 1.090 111.054 58.46 0.0000
20 H62 H1 E 18 16 14 1.089 110.316 -62.25 0.0000
21 O6 Os E 18 16 14 1.435 108.026 178.22 -0.4670
22 O5 Os E 16 14 10 1.585 104.895 -12.75 -0.3890
23 O4 Os M 14 10 4 1.442 112.118 140.35 -0.4410
LOOP
O5 C2
DONE
UkA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Os E 9 7 6 1.434 108.908 -64.18 -0.4630
13 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
14 H4 H1 E 13 7 6 1.091 109.347 173.46 0.0000
15 C3 Cg 3 13 7 6 1.541 113.058 50.90 0.3540
16 H3 H1 E 15 13 7 1.091 110.148 -170.51 0.0000
17 O3 Oh S 15 13 7 1.440 107.217 72.05 -0.7440
18 H3O Ho E 17 15 13 0.960 109.437 179.14 0.4360
19 C2 Cg B 15 13 7 1.544 111.196 -48.50 0.2810
20 H2 H1 E 19 15 13 1.091 106.696 -68.80 0.0000
21 O2 Oh S 19 15 13 1.439 110.836 175.80 -0.7160
22 H2O Ho E 21 19 15 0.960 109.409 -65.65 0.4270
23 O4 Os M 13 7 6 1.440 109.315 -68.60 -0.4860
LOOP
C2 C1
DONE
UkB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 O2 Oh S 6 4 3 1.462 111.766 18.28 -0.7100
9 H2O Ho E 8 6 4 0.965 108.091 -56.20 0.4260
10 C3 Cg M 6 4 3 1.547 110.415 140.23 0.2530
11 H3 H1 E 10 6 4 1.091 109.195 174.71 0.0000
12 O3 Oh S 10 6 4 1.452 110.271 -66.88 -0.7100
13 H3O Ho E 12 10 6 0.968 107.267 -52.72 0.4420
14 C4 Cg M 10 6 4 1.545 111.988 53.40 0.2170
15 H4 H1 E 14 10 6 1.091 109.393 -172.98 0.0000
16 C5 Cg 3 14 10 6 1.553 111.117 -52.75 0.3030
17 H5 H1 E 16 14 10 1.092 107.789 -66.12 0.0000
18 C6 Cg 3 16 14 10 1.542 113.025 175.07 0.2590
19 H61 H1 E 18 16 14 1.090 110.096 53.77 0.0000
20 H62 H1 E 18 16 14 1.090 110.533 -65.83 0.0000
21 O6 Os E 18 16 14 1.441 110.162 173.71 -0.4480
22 O5 Os E 16 14 10 1.499 110.891 51.77 -0.5140
23 O4 Os M 14 10 6 1.455 108.780 69.68 -0.4690
LOOP
O5 C1
DONE
UlA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Os E 9 7 6 1.434 108.858 -64.45 -0.4600
13 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
14 H4 H1 E 13 7 6 1.091 109.671 175.54 0.0000
15 C3 Cg 3 13 7 6 1.544 110.422 54.45 0.2530
16 H3 H1 E 15 13 7 1.091 108.559 66.00 0.0000
17 O3 Oh S 15 13 7 1.440 109.147 -176.39 -0.7010
18 H3O Ho E 17 15 13 0.960 109.438 -179.39 0.4330
19 C2 Cg B 15 13 7 1.541 111.714 -54.48 0.3390
20 H2 H1 E 19 15 13 1.091 108.995 -66.63 0.0000
21 O2 Oh S 19 15 13 1.440 110.049 175.31 -0.7240
22 H2O Ho E 21 19 15 0.960 109.415 -62.60 0.4310
23 O4 Os M 13 7 6 1.445 108.372 -65.83 -0.4310
LOOP
C2 C1
DONE
UlB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 O2 Oh S 6 4 3 1.459 109.860 20.73 -0.7260
9 H2O Ho E 8 6 4 0.965 107.724 -55.10 0.4320
10 C3 Cg M 6 4 3 1.547 110.130 140.44 0.2590
11 H3 H1 E 10 6 4 1.092 108.676 -66.21 0.0000
12 O3 Oh S 10 6 4 1.455 110.815 175.60 -0.6940
13 H3O Ho E 12 10 6 0.967 107.449 52.82 0.4330
14 C4 Cg M 10 6 4 1.546 112.254 53.31 0.2030
15 H4 H1 E 14 10 6 1.091 109.260 -175.38 0.0000
16 C5 Cg 3 14 10 6 1.545 110.517 -55.04 0.1400
17 H5 H1 E 16 14 10 1.092 107.648 -63.90 0.0000
18 C6 Cg 3 16 14 10 1.539 113.155 176.88 0.3190
19 H61 H1 E 18 16 14 1.090 110.337 53.86 0.0000
20 H62 H1 E 18 16 14 1.091 110.848 -66.38 0.0000
21 O6 Os E 18 16 14 1.437 109.027 173.44 -0.4680
22 O5 Os E 16 14 10 1.495 110.103 53.62 -0.4020
23 O4 Os M 14 10 6 1.449 109.638 65.91 -0.4210
LOOP
O5 C1
DONE
UmA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Os E 9 7 6 1.444 110.952 -70.49 -0.4600
13 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
14 H4 H1 E 13 7 6 1.091 109.924 -69.18 0.0000
15 C3 Cg 3 13 7 6 1.549 110.605 52.31 0.2520
16 H3 H1 E 15 13 7 1.092 108.663 62.49 0.0000
17 O3 Oh S 15 13 7 1.461 110.813 -179.59 -0.6960
18 H3O Ho E 17 15 13 0.964 109.699 -161.58 0.4310
19 C2 Cg B 15 13 7 1.545 111.609 -57.15 0.2450
20 H2 H1 E 19 15 13 1.091 109.207 175.17 0.0000
21 O2 Oh S 19 15 13 1.459 109.731 -66.73 -0.7170
22 H2O Ho E 21 19 15 0.965 108.621 -45.43 0.4460
23 O4 Os M 13 7 6 1.452 108.824 171.70 -0.4890
LOOP
C2 C1
DONE
UmB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 O2 Oh S 6 4 3 1.459 109.767 -99.50 -0.6640
9 H2O Ho E 8 6 4 0.964 107.524 55.50 0.4310
10 C3 Cg M 6 4 3 1.547 107.300 140.06 0.2630
11 H3 H1 E 10 6 4 1.092 107.890 -58.13 0.0000
12 O3 Oh S 10 6 4 1.457 110.746 -174.70 -0.6920
13 H3O Ho E 12 10 6 0.962 109.624 154.41 0.4300
14 C4 Cg M 10 6 4 1.553 110.623 60.52 0.3490
15 H4 H1 E 14 10 6 1.091 109.997 63.90 0.0000
16 C5 Cg 3 14 10 6 1.550 110.419 -57.43 0.2060
17 H5 H1 E 16 14 10 1.092 108.705 -67.76 0.0000
18 C6 Cg 3 16 14 10 1.539 111.873 172.30 0.2730
19 H61 H1 E 18 16 14 1.090 110.558 59.60 0.0000
20 H62 H1 E 18 16 14 1.091 110.262 -60.18 0.0000
21 O6 Os E 18 16 14 1.439 109.850 179.68 -0.4550
22 O5 Os E 16 14 10 1.498 110.843 50.51 -0.3930
23 O4 Os M 14 10 6 1.452 109.624 -176.73 -0.4970
LOOP
O5 C1
DONE
UnA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Os E 9 7 6 1.434 109.011 -63.74 -0.4610
13 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
14 H4 H1 E 13 7 6 1.091 108.424 -67.01 0.0000
15 C3 Cg 3 13 7 6 1.543 113.659 53.11 0.3300
16 H3 H1 E 15 13 7 1.091 110.022 -173.93 0.0000
17 O3 Oh S 15 13 7 1.445 109.798 66.31 -0.7140
18 H3O Ho E 17 15 13 0.960 109.446 64.20 0.4410
19 C2 Cg B 15 13 7 1.541 108.602 -53.52 0.2280
20 H2 H1 E 19 15 13 1.091 106.837 -65.32 0.0000
21 O2 Oh S 19 15 13 1.439 110.703 179.06 -0.6680
22 H2O Ho E 21 19 15 0.960 109.386 -64.03 0.4150
23 O4 Os M 13 7 6 1.439 109.651 175.64 -0.4830
LOOP
C2 C1
DONE
UnB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 O2 Oh S 6 4 3 1.458 111.714 19.64 -0.7030
9 H2O Ho E 8 6 4 0.966 108.382 -58.42 0.4240
10 C3 Cg M 6 4 3 1.544 110.844 141.66 0.2340
11 H3 H1 E 10 6 4 1.092 109.398 175.17 0.0000
12 O3 Oh S 10 6 4 1.458 109.599 -65.98 -0.6150
13 H3O Ho E 12 10 6 0.967 107.516 -48.26 0.3890
14 C4 Cg M 10 6 4 1.546 109.920 54.68 0.2860
15 H4 H1 E 14 10 6 1.091 108.699 62.12 0.0000
16 C5 Cg 3 14 10 6 1.547 111.303 -57.50 0.1980
17 H5 H1 E 16 14 10 1.091 109.233 -61.92 0.0000
18 C6 Cg 3 16 14 10 1.541 112.741 177.70 0.3130
19 H61 H1 E 18 16 14 1.090 110.689 61.33 0.0000
20 H62 H1 E 18 16 14 1.090 110.338 -58.85 0.0000
21 O6 Os E 18 16 14 1.438 109.178 -178.76 -0.4650
22 O5 Os E 16 14 10 1.500 108.536 56.16 -0.5070
23 O4 Os M 14 10 6 1.447 109.608 179.74 -0.4710
LOOP
O5 C1
DONE
UpD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240
5 C1 Cg 3 4 3 2 1.533 11.296 11.27 0.2860
6 H11 H1 E 5 4 3 1.091 110.553 139.19 0.0000
7 H12 H1 E 5 4 3 1.091 110.436 -100.78 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 19.30 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 -179.30 0.4190
10 O5 Os M 4 3 2 1.578 107.245 118.43 -0.4530
11 C5 Cg M 10 4 3 1.580 112.574 125.89 0.1940
12 H5 H1 E 11 10 4 1.092 109.225 119.03 0.0000
13 C6 Cg 3 11 10 4 1.529 108.517 -121.64 0.2910
14 H61 H1 E 13 11 10 1.090 110.281 176.00 0.0000
15 H62 H1 E 13 11 10 1.091 110.695 55.73 0.0000
16 O6 Os E 13 11 10 1.433 108.604 -64.48 -0.4780
17 C4 Cg M 11 10 4 1.626 105.532 -0.49 0.2820
18 H4 H1 E 17 11 10 1.091 112.773 -134.13 0.0000
19 C3 Cg B 17 11 10 1.629 106.867 -10.85 0.3340
20 H3 H1 E 19 17 11 1.090 106.567 -97.07 0.0000
21 O3 Oh S 19 17 11 1.441 113.670 145.25 -0.6610
22 H3O Ho E 21 19 17 0.960 109.502 57.68 0.4150
23 O4 Os M 17 11 10 1.437 105.885 105.93 -0.4560
LOOP
C3 C2
DONE
UpU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880
5 C1 Cg 3 4 3 2 1.541 49.994 0.67 0.3650
6 H11 H1 E 5 4 3 1.090 109.918 -145.53 0.0000
7 H12 H1 E 5 4 3 1.091 110.660 -26.12 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 94.77 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 -179.45 0.4180
10 C3 Cg M 4 3 2 1.631 108.524 -109.61 0.3340
11 H3 H1 E 10 4 3 1.091 109.543 -74.21 0.0000
12 O3 Oh S 10 4 3 1.441 112.255 44.83 -0.7140
13 H3O Ho E 12 10 4 0.960 109.493 177.90 0.4240
14 C4 Cg M 10 4 3 1.631 107.756 169.64 0.1920
15 H4 H1 E 14 10 4 1.091 111.099 133.10 0.0000
16 C5 Cg 3 14 10 4 1.623 107.338 10.25 0.3690
17 H5 H1 E 16 14 10 1.092 111.285 -129.81 0.0000
18 C6 Cg 3 16 14 10 1.529 112.798 106.76 0.2150
19 H61 H1 E 18 16 14 1.090 110.301 60.35 0.0000
20 H62 H1 E 18 16 14 1.091 110.659 -59.91 0.0000
21 O6 Os E 18 16 14 1.433 108.649 179.93 -0.4510
22 O5 Os E 16 14 10 1.576 105.494 -11.41 -0.4800
23 O4 Os M 14 10 4 1.438 110.850 -105.23 -0.4670
LOOP
O5 C2
DONE
UtA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Os E 9 7 6 1.434 108.863 -64.48 -0.4620
13 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
14 H4 H1 E 13 7 6 1.091 109.540 173.93 0.0000
15 C3 Cg 3 13 7 6 1.543 109.739 53.52 0.1240
16 H3 H1 E 15 13 7 1.091 106.734 65.74 0.0000
17 O3 Oh S 15 13 7 1.439 110.707 -178.75 -0.6870
18 H3O Ho E 17 15 13 0.960 109.479 -176.63 0.4420
19 C2 Cg B 15 13 7 1.545 114.910 -52.34 0.2450
20 H2 H1 E 19 15 13 1.091 109.723 171.12 0.0000
21 O2 Oh S 19 15 13 1.440 110.347 -69.94 -0.6550
22 H2O Ho E 21 19 15 0.960 109.490 -179.95 0.4360
23 O4 Os M 13 7 6 1.443 109.067 -67.36 -0.5080
LOOP
C2 C1
DONE
UtB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 O2 Oh S 6 4 3 1.444 109.193 -100.97 -0.6370
9 H2O Ho E 8 6 4 0.960 109.413 58.90 0.3970
10 C3 Cg M 6 4 3 1.545 108.990 139.13 0.1740
11 H3 H1 E 10 6 4 1.091 106.777 -66.52 0.0000
12 O3 Oh S 10 6 4 1.439 110.677 177.92 -0.6780
13 H3O Ho E 12 10 6 0.960 109.373 -64.24 0.4250
14 C4 Cg M 10 6 4 1.547 114.890 51.64 0.3140
15 H4 H1 E 14 10 6 1.091 109.570 -171.49 0.0000
16 C5 Cg 3 14 10 6 1.547 110.218 -50.96 0.0310
17 H5 H1 E 16 14 10 1.092 107.394 -65.47 0.0000
18 C6 Cg 3 16 14 10 1.535 115.137 174.64 0.3490
19 H61 H1 E 18 16 14 1.090 110.278 53.24 0.0000
20 H62 H1 E 18 16 14 1.091 110.886 -67.01 0.0000
21 O6 Os E 18 16 14 1.434 108.837 172.73 -0.4540
22 O5 Os E 16 14 10 1.487 109.426 51.66 -0.3540
23 O4 Os M 14 10 6 1.443 110.169 69.26 -0.4070
LOOP
O5 C1
DONE
UvA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.287 114.935 -133.03 0.3890
5 H1 H2 E 4 3 2 1.090 123.196 38.74 0.0000
6 O5 Os M 4 3 2 1.470 74.128 -62.95 -0.4660
7 C5 Cg M 6 4 3 1.497 117.776 -69.87 0.1120
8 H5 H1 E 7 6 4 1.091 107.067 65.15 0.0000
9 C6 Cg 3 7 6 4 1.543 110.655 -179.51 0.3620
10 H61 H1 E 9 7 6 1.090 109.608 -176.18 0.0000
11 H62 H1 E 9 7 6 1.090 110.167 -57.43 0.0000
12 O6 Os E 9 7 6 1.435 111.052 63.47 -0.4810
13 C4 Cg M 7 6 4 1.548 110.914 -51.03 0.3260
14 H4 H1 E 13 7 6 1.091 109.088 172.26 0.0000
15 C3 Cg 3 13 7 6 1.547 111.081 51.89 0.1760
16 H3 H1 E 15 13 7 1.091 107.961 63.63 0.0000
17 O3 Oh S 15 13 7 1.462 109.029 179.93 -0.6780
18 H3O Ho E 17 15 13 0.964 110.475 -178.25 0.4250
19 C2 Cg B 15 13 7 1.551 111.657 -55.51 0.3990
20 H2 H1 E 19 15 13 1.092 107.862 -63.61 0.0000
21 N2 Ng B 19 15 13 1.483 110.775 178.49 -0.5950
22 H2N H E 21 19 15 1.007 117.335 -40.12 0.2380
23 C2N C B 21 19 15 1.336 122.570 153.82 0.6250
24 O2N O E 23 21 19 1.227 121.897 -4.65 -0.6050
25 CME Cg 3 23 21 19 1.541 116.317 175.68 0.0320
26 H1M Hc E 25 23 21 1.091 109.644 69.76 0.0000
27 H2M Hc E 25 23 21 1.091 110.181 -170.34 0.0000
28 H3M Hc E 25 23 21 1.091 110.069 -50.52 0.0000
29 O4 Os M 13 7 6 1.450 110.237 -68.94 -0.4530
LOOP
C2 C1
DONE
UvB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.231 114.893 -133.39 0.3050
5 H1 H2 E 4 3 2 1.091 65.505 -67.74 0.0000
6 C2 Cg M 4 3 2 1.568 137.512 -160.40 0.5440
7 H2 H1 E 6 4 3 1.091 107.972 -101.23 0.0000
8 N2 Ng B 6 4 3 1.481 111.069 18.97 -0.6860
9 H2N H E 8 6 4 1.005 118.080 45.86 0.2540
10 C2N C B 8 6 4 1.336 122.747 -132.36 0.5860
11 CME Cg 3 10 8 6 1.543 116.272 -179.61 0.0560
12 H1M Hc E 11 10 8 1.091 109.419 84.79 0.0000
13 H2M Hc E 11 10 8 1.091 109.982 -155.53 0.0000
14 H3M Hc E 11 10 8 1.092 110.645 -35.56 0.0000
15 O2N O E 10 8 6 1.227 122.402 -0.23 -0.5640
16 C3 Cg M 6 4 3 1.558 108.807 140.94 0.1520
17 H3 H1 E 16 6 4 1.092 108.105 -63.18 0.0000
18 O3 Oh S 16 6 4 1.462 113.219 178.26 -0.6650
19 H3O Ho E 18 16 6 0.963 111.335 152.35 0.4150
20 C4 Cg M 16 6 4 1.544 111.369 55.44 0.2530
21 H4 H1 E 20 16 6 1.091 109.237 -177.04 0.0000
22 C5 Cg 3 20 16 6 1.544 111.265 -56.32 0.1360
23 H5 H1 E 22 20 16 1.092 107.572 -64.67 0.0000
24 C6 Cg 3 22 20 16 1.539 112.869 176.15 0.3530
25 H61 H1 E 24 22 20 1.091 110.331 53.32 0.0000
26 H62 H1 E 24 22 20 1.090 110.929 -67.00 0.0000
27 O6 Os E 24 22 20 1.436 108.896 172.76 -0.4810
28 O5 Os E 22 20 16 1.495 110.300 52.85 -0.4080
29 O4 Os M 20 16 6 1.445 108.904 64.66 -0.4440
LOOP
O5 C1
DONE
UwA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.378 115.021 -132.94 0.4621
5 H1 H2 E 4 3 2 1.090 120.003 38.85 0.0000
6 O5 Os M 4 3 2 1.469 73.200 -63.39 -0.5415
7 C5 Cg M 6 4 3 1.495 117.898 -69.31 0.2421
8 H5 H1 E 7 6 4 1.092 106.799 68.49 0.0000
9 C6 Cg 3 7 6 4 1.545 109.924 -175.74 0.2995
10 H61 H1 E 9 7 6 1.090 109.924 -166.49 0.0000
11 H62 H1 E 9 7 6 1.090 109.575 -48.28 0.0000
12 O6 Os E 9 7 6 1.443 112.033 72.71 -0.4599
13 C4 Cg M 7 6 4 1.547 111.317 -49.02 0.3213
14 H4 H1 E 13 7 6 1.091 109.249 -73.83 0.0000
15 C3 Cg 3 13 7 6 1.550 112.664 46.63 0.2520
16 H3 H1 E 15 13 7 1.091 108.491 68.12 0.0000
17 O3 Oh S 15 13 7 1.455 109.482 -174.62 -0.6987
18 H3O Ho E 17 15 13 0.965 109.543 -47.09 0.4159
19 C2 Cg B 15 13 7 1.549 112.400 -51.61 0.2750
20 H2 H1 E 19 15 13 1.092 108.473 171.95 0.0000
21 N2 Ng B 19 15 13 1.482 111.789 -70.12 -0.4751
22 H2N H E 21 19 15 1.007 117.562 12.93 0.2142
23 C2N C B 21 19 15 1.336 123.787 -162.76 0.5909
24 O2N O E 23 21 19 1.229 122.265 -3.32 -0.5757
25 CME Cg 3 23 21 19 1.539 115.681 177.62 -0.0340
26 H1M Hc E 25 23 21 1.091 109.868 -60.00 0.0000
27 H2M Hc E 25 23 21 1.091 110.252 -179.93 0.0000
28 H3M Hc E 25 23 21 1.091 109.810 60.19 0.0000
29 O4 Os M 13 7 6 1.458 108.618 168.10 -0.4821
LOOP
C2 C1
DONE
UwB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.322 114.834 -133.45 0.3870
5 H1 H2 E 4 3 2 1.091 67.634 -69.01 0.0000
6 C2 Cg M 4 3 2 1.557 139.933 -164.47 0.2940
7 H2 H1 E 6 4 3 1.092 107.791 25.05 0.0000
8 N2 Ng B 6 4 3 1.485 112.591 -94.31 -0.5580
9 H2N H E 8 6 4 1.007 117.378 -30.20 0.2650
10 C2N C B 8 6 4 1.337 123.528 147.74 0.5850
11 CME Cg 3 10 8 6 1.544 116.722 -177.13 0.0560
12 H1M Hc E 11 10 8 1.090 109.199 -104.92 0.0000
13 H2M Hc E 11 10 8 1.091 109.840 135.47 0.0000
14 H3M Hc E 11 10 8 1.092 111.211 15.23 0.0000
15 O2N O E 10 8 6 1.229 121.350 4.57 -0.6000
16 C3 Cg M 6 4 3 1.550 108.254 141.57 0.2170
17 H3 H1 E 16 6 4 1.092 107.807 -64.62 0.0000
18 O3 Oh S 16 6 4 1.458 111.031 177.66 -0.6580
19 H3O Ho E 18 16 6 0.972 110.221 24.88 0.4130
20 C4 Cg M 16 6 4 1.551 112.012 54.98 0.2770
21 H4 H1 E 20 16 6 1.092 109.220 68.41 0.0000
22 C5 Cg 3 20 16 6 1.549 111.754 -52.70 0.3210
23 H5 H1 E 22 20 16 1.092 108.891 -67.49 0.0000
24 C6 Cg 3 22 20 16 1.542 112.546 172.10 0.2470
25 H61 H1 E 24 22 20 1.090 110.437 60.16 0.0000
26 H62 H1 E 24 22 20 1.091 110.098 -59.35 0.0000
27 O6 Os E 24 22 20 1.442 110.379 -179.51 -0.4440
28 O5 Os E 22 20 16 1.498 109.860 50.66 -0.4980
29 O4 Os M 20 16 6 1.447 108.869 -173.07 -0.4980
LOOP
O5 C1
DONE
UyA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.337 115.005 -132.87 0.4680
5 H1 H2 E 4 3 2 1.090 120.341 36.84 0.0000
6 O5 Os M 4 3 2 1.463 68.163 -62.20 -0.5680
7 C5 Cg M 6 4 3 1.500 118.098 -74.28 0.2460
8 H5 H1 E 7 6 4 1.092 107.019 68.26 0.0000
9 C6 Cg 3 7 6 4 1.544 110.054 -175.47 0.3280
10 H61 H1 E 9 7 6 1.090 109.603 -54.04 0.0000
11 H62 H1 E 9 7 6 1.090 110.073 -172.40 0.0000
12 O6 Os E 9 7 6 1.444 111.701 66.58 -0.4610
13 C4 Cg M 7 6 4 1.544 111.305 -49.64 0.3220
14 H4 H1 E 13 7 6 1.091 109.775 -72.41 0.0000
15 C3 Cg 3 13 7 6 1.546 112.523 49.14 0.1650
16 H3 H1 E 15 13 7 1.092 109.255 68.91 0.0000
17 O3 Oh S 15 13 7 1.457 108.091 -173.19 -0.6300
18 H3O Ho E 17 15 13 0.977 109.893 135.62 0.4130
19 C2 Cg B 15 13 7 1.547 112.211 -51.74 0.2450
20 H2 H1 E 19 15 13 1.092 107.659 -66.49 0.0000
21 N2 Ng B 19 15 13 1.486 111.285 175.94 -0.5520
22 H2N H E 21 19 15 1.009 115.982 -94.71 0.2360
23 C2N C B 21 19 15 1.338 124.714 81.84 0.5880
24 O2N O E 23 21 19 1.228 121.379 -4.88 -0.5790
25 CME Cg 3 23 21 19 1.544 117.110 175.73 0.0630
26 H1M Hc E 25 23 21 1.090 109.379 118.32 0.0000
27 H2M Hc E 25 23 21 1.091 109.387 -122.31 0.0000
28 H3M Hc E 25 23 21 1.092 111.363 -2.06 0.0000
29 O4 Os M 13 7 6 1.448 108.615 168.54 -0.4780
LOOP
C2 C1
DONE
UyB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.305 114.875 -133.41 0.2870
5 H1 H2 E 4 3 2 1.091 64.963 -66.48 0.0000
6 C2 Cg M 4 3 2 1.566 139.050 -158.60 0.4800
7 H2 H1 E 6 4 3 1.092 107.602 -101.85 0.0000
8 N2 Ng B 6 4 3 1.484 111.108 18.10 -0.7220
9 H2N H E 8 6 4 1.006 117.592 43.53 0.3000
10 C2N C B 8 6 4 1.336 123.143 -126.00 0.6480
11 CME Cg 3 10 8 6 1.542 116.434 175.43 0.0340
12 H1M Hc E 11 10 8 1.091 109.335 82.58 0.0000
13 H2M Hc E 11 10 8 1.091 110.076 -157.79 0.0000
14 H3M Hc E 11 10 8 1.092 110.630 -37.74 0.0000
15 O2N O E 10 8 6 1.226 122.116 -6.61 -0.5760
16 C3 Cg M 6 4 3 1.555 109.532 140.96 0.1800
17 H3 H1 E 16 6 4 1.092 108.635 -66.15 0.0000
18 O3 Oh S 16 6 4 1.462 112.173 174.68 -0.6810
19 H3O Ho E 18 16 6 0.964 110.728 66.33 0.4230
20 C4 Cg M 16 6 4 1.547 110.847 53.41 0.3020
21 H4 H1 E 20 16 6 1.092 109.529 65.76 0.0000
22 C5 Cg 3 20 16 6 1.542 111.743 -55.82 0.2080
23 H5 H1 E 22 20 16 1.092 109.079 -62.53 0.0000
24 C6 Cg 3 22 20 16 1.540 112.556 176.83 0.2890
25 H61 H1 E 24 22 20 1.090 110.526 60.82 0.0000
26 H62 H1 E 24 22 20 1.091 110.298 -59.01 0.0000
27 O6 Os E 24 22 20 1.439 109.712 -179.18 -0.4590
28 O5 Os E 22 20 16 1.493 108.679 55.34 -0.4330
29 O4 Os M 20 16 6 1.444 108.505 -175.54 -0.4740
LOOP
O5 C1
DONE
VBD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410
5 C1 Cg 3 4 3 2 1.546 4.633 -120.67 0.3130
6 H12 H1 E 5 4 3 1.090 110.325 114.28 0.0000
7 H11 H1 E 5 4 3 1.091 109.856 -126.60 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -6.24 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 -163.85 0.4140
10 C3 Cg M 4 3 2 1.641 111.508 16.65 0.4400
11 H3 H1 E 10 4 3 1.090 108.442 20.90 0.0000
12 C4 Cg 3 10 4 3 1.636 106.644 136.55 0.2250
13 H4 H1 E 12 10 4 1.091 108.604 98.33 0.0000
14 C5 Cg 3 12 10 4 1.626 107.413 -17.56 0.2710
15 H5 H1 E 14 12 10 1.091 108.621 126.81 0.0000
16 C6 Cg 3 14 12 10 1.543 115.360 -109.99 0.2810
17 H62 H1 E 16 14 12 1.091 109.980 67.38 0.0000
18 H61 H1 E 16 14 12 1.090 110.249 -51.87 0.0000
19 O6 Os E 16 14 12 1.443 110.886 -171.63 -0.4620
20 O5 Os E 14 12 10 1.587 104.732 10.45 -0.4520
21 O4 Oh S 12 10 4 1.457 112.032 -142.43 -0.7100
22 H4O Ho E 21 12 10 0.965 109.577 -74.18 0.4350
23 O3 Os M 10 4 3 1.453 115.892 -99.73 -0.5220
LOOP
O5 C2
DONE
VBU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470
5 C1 Cg 3 4 3 2 1.553 52.999 -106.31 0.2990
6 H12 H1 E 5 4 3 1.091 110.361 37.48 0.0000
7 H11 H1 E 5 4 3 1.091 109.538 156.30 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 -83.60 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 -172.60 0.3820
10 O5 Os M 4 3 2 1.568 142.358 -178.86 -0.3850
11 C5 Cg M 10 4 3 1.582 113.720 173.86 0.2100
12 H5 H1 E 11 10 4 1.091 108.799 -121.64 0.0000
13 C6 Cg 3 11 10 4 1.541 109.962 118.91 0.3320
14 H62 H1 E 13 11 10 1.090 110.302 -58.44 0.0000
15 H61 H1 E 13 11 10 1.090 109.861 -177.80 0.0000
16 O6 Os E 13 11 10 1.442 110.695 62.46 -0.4860
17 C4 Cg M 11 10 4 1.624 104.801 -5.21 0.2830
18 H4 H1 E 17 11 10 1.091 107.561 -105.82 0.0000
19 O4 Oh S 17 11 10 1.453 112.691 135.08 -0.7550
20 H4O Ho E 19 17 11 0.964 109.402 171.47 0.4340
21 C3 Cg M 17 11 10 1.637 107.577 11.31 0.3820
22 H3 H1 E 21 17 11 1.091 108.163 103.95 0.0000
23 O3 Os M 21 17 11 1.455 110.878 -138.10 -0.5100
LOOP
C3 C2
DONE
VCD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840
5 C1 Cg 3 4 3 2 1.556 9.626 -136.04 0.3700
6 H12 H1 E 5 4 3 1.091 109.651 88.60 0.0000
7 H11 H1 E 5 4 3 1.091 110.210 -152.55 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -31.57 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 49.38 0.4140
10 C3 Cg M 4 3 2 1.638 108.658 19.86 0.2820
11 H3 H1 E 10 4 3 1.091 111.006 -104.35 0.0000
12 C4 Cg 3 10 4 3 1.638 106.495 134.41 0.3320
13 H4 H1 E 12 10 4 1.091 111.116 -136.07 0.0000
14 C5 Cg 3 12 10 4 1.621 107.987 -13.87 0.3090
15 H5 H1 E 14 12 10 1.092 110.544 126.66 0.0000
16 C6 Cg 3 14 12 10 1.538 111.506 -110.78 0.2650
17 H62 H1 E 16 14 12 1.091 109.952 69.16 0.0000
18 H61 H1 E 16 14 12 1.090 109.956 -49.70 0.0000
19 O6 Os E 16 14 12 1.442 111.246 -169.72 -0.4460
20 O5 Os E 14 12 10 1.584 104.926 8.85 -0.4980
21 O4 Oh S 12 10 4 1.453 108.919 105.00 -0.7840
22 H4O Ho E 21 12 10 0.965 110.375 -49.86 0.4440
23 O3 Os M 10 4 3 1.460 111.917 16.34 -0.4780
LOOP
O5 C2
DONE
VCU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390
5 C1 Cg 3 4 3 2 1.537 69.500 -144.67 0.2870
6 H12 H1 E 5 4 3 1.091 110.638 29.87 0.0000
7 H11 H1 E 5 4 3 1.091 109.952 149.16 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 -91.14 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 -179.97 0.4010
10 O5 Os M 4 3 2 1.575 147.962 122.92 -0.4490
11 C5 Cg M 10 4 3 1.577 112.749 -165.42 0.3100
12 H5 H1 E 11 10 4 1.092 109.362 -121.32 0.0000
13 C6 Cg 3 11 10 4 1.529 108.415 119.08 0.2720
14 H62 H1 E 13 11 10 1.091 110.618 -56.09 0.0000
15 H61 H1 E 13 11 10 1.090 110.315 -176.31 0.0000
16 O6 Os E 13 11 10 1.433 108.667 64.08 -0.4490
17 C4 Cg M 11 10 4 1.622 105.503 -1.90 0.2930
18 H4 H1 E 17 11 10 1.092 112.170 133.69 0.0000
19 O4 Oh S 17 11 10 1.434 107.738 -106.47 -0.7630
20 H4O Ho E 19 17 11 0.960 109.480 -62.64 0.4310
21 C3 Cg M 17 11 10 1.624 107.882 8.77 0.3330
22 H3 H1 E 21 17 11 1.091 112.343 -135.61 0.0000
23 O3 Os M 21 17 11 1.439 105.085 106.18 -0.4750
LOOP
C3 C2
DONE
VEA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 O2 Oh S 6 4 3 1.437 106.903 53.10 -0.6900
9 H2O Ho E 8 6 4 0.960 109.486 -57.88 0.4470
10 C3 Cg M 6 4 3 1.541 114.896 172.06 0.3280
11 H3 H1 E 10 6 4 1.091 110.106 -167.45 0.0000
12 C4 Cg 3 10 6 4 1.544 111.809 -45.05 0.2610
13 H4 H1 E 12 10 6 1.091 108.188 -68.68 0.0000
14 C5 Cg 3 12 10 6 1.541 113.133 51.50 0.3740
15 H5 H1 E 14 12 10 1.092 109.237 63.30 0.0000
16 C6 Cg 3 14 12 10 1.535 114.012 -174.39 0.2590
17 H62 H1 E 16 14 12 1.090 110.525 -56.55 0.0000
18 H61 H1 E 16 14 12 1.091 110.727 63.66 0.0000
19 O6 Os E 16 14 12 1.434 108.916 -175.95 -0.4510
20 O5 Os E 14 12 10 1.485 107.816 -54.81 -0.5870
21 O4 Oh S 12 10 6 1.439 109.304 174.29 -0.7210
22 H4O Ho E 21 12 10 0.960 109.412 -61.37 0.4150
23 O3 Os M 10 6 4 1.442 106.866 75.38 -0.4880
LOOP
O5 C1
DONE
VEB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Os E 9 7 6 1.439 109.977 57.72 -0.4630
13 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
14 H4 H1 E 13 7 6 1.091 108.584 66.50 0.0000
15 O4 Oh S 13 7 6 1.457 110.564 -175.67 -0.7240
16 H4O Ho E 15 13 7 0.964 110.039 -157.92 0.4200
17 C3 Cg M 13 7 6 1.554 111.196 -53.07 0.3150
18 H3 H1 E 17 13 7 1.091 109.198 176.72 0.0000
19 C2 Cg B 17 13 7 1.540 111.264 55.77 0.1840
20 H2 H1 E 19 17 13 1.091 109.856 -175.33 0.0000
21 O2 Oh S 19 17 13 1.463 107.825 66.95 -0.6970
22 H2O Ho E 21 19 17 0.966 108.305 -175.24 0.4320
23 O3 Os M 17 13 7 1.454 110.601 -64.53 -0.4720
LOOP
C2 C1
DONE
VGA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 O2 Oh S 6 4 3 1.465 111.499 -41.43 -0.7130
9 H2O Ho E 8 6 4 0.967 109.170 -40.31 0.4370
10 C3 Cg M 6 4 3 1.543 111.424 -164.87 0.2860
11 H3 H1 E 10 6 4 1.092 109.239 69.49 0.0000
12 C4 Cg 3 10 6 4 1.547 112.114 -52.22 0.2540
13 H4 H1 E 12 10 6 1.092 109.454 -66.45 0.0000
14 C5 Cg 3 12 10 6 1.543 111.254 54.50 0.2830
15 H5 H1 E 14 12 10 1.092 108.261 65.38 0.0000
16 C6 Cg 3 14 12 10 1.546 112.538 -174.79 0.2760
17 H62 H1 E 16 14 12 1.090 110.682 -45.93 0.0000
18 H61 H1 E 16 14 12 1.091 110.014 73.31 0.0000
19 O6 Os E 16 14 12 1.444 110.823 -165.78 -0.4580
20 O5 Os E 14 12 10 1.500 109.539 -52.54 -0.5740
21 O4 Oh S 12 10 6 1.451 108.956 174.69 -0.7100
22 H4O Ho E 21 12 10 0.968 107.227 50.66 0.4360
23 O3 Os M 10 6 4 1.452 108.531 -172.18 -0.4660
LOOP
O5 C1
DONE
VGB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Os E 9 7 6 1.440 109.810 57.27 -0.4580
13 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
14 H4 H1 E 13 7 6 1.092 109.352 66.92 0.0000
15 O4 Oh S 13 7 6 1.448 108.899 -174.36 -0.7140
16 H4O Ho E 15 13 7 0.967 107.435 172.17 0.4400
17 C3 Cg M 13 7 6 1.548 111.306 -54.04 0.2840
18 H3 H1 E 17 13 7 1.092 109.104 -67.30 0.0000
19 C2 Cg B 17 13 7 1.545 112.113 53.55 0.3100
20 H2 H1 E 19 17 13 1.092 109.394 68.33 0.0000
21 O2 Oh S 19 17 13 1.458 108.975 -172.91 -0.7180
22 H2O Ho E 21 19 17 0.966 108.053 175.61 0.4370
23 O3 Os M 17 13 7 1.454 108.817 174.47 -0.4710
LOOP
C2 C1
DONE
VJD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920
5 C1 Cg 3 4 3 2 1.554 10.224 -140.48 0.3890
6 H12 H1 E 5 4 3 1.091 109.769 84.88 0.0000
7 H11 H1 E 5 4 3 1.091 110.219 -156.13 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -35.41 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 50.29 0.3800
10 C3 Cg M 4 3 2 1.637 108.016 16.20 0.3930
11 H3 H1 E 10 4 3 1.091 112.376 -99.86 0.0000
12 C4 Cg 3 10 4 3 1.642 105.965 138.66 0.2330
13 H4 H1 E 12 10 4 1.090 107.367 95.04 0.0000
14 C5 Cg 3 12 10 4 1.625 107.375 -19.81 0.1900
15 H5 H1 E 14 12 10 1.091 108.940 130.16 0.0000
16 C6 Cg 3 14 12 10 1.542 114.908 -106.54 0.3400
17 H62 H1 E 16 14 12 1.090 110.250 66.65 0.0000
18 H61 H1 E 16 14 12 1.090 110.186 -52.85 0.0000
19 O6 Os E 16 14 12 1.441 110.517 -172.30 -0.4940
20 O5 Os E 14 12 10 1.585 104.597 13.44 -0.4100
21 O4 Oh S 12 10 4 1.458 113.311 -146.22 -0.6710
22 H4O Ho E 21 12 10 0.965 110.086 -102.72 0.4140
23 O3 Os M 10 4 3 1.455 110.333 22.08 -0.4960
LOOP
O5 C2
DONE
VJU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510
5 C1 Cg 3 4 3 2 1.554 50.342 -105.76 0.3330
6 H12 H1 E 5 4 3 1.090 110.121 39.98 0.0000
7 H11 H1 E 5 4 3 1.090 109.574 158.57 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 -81.07 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 -173.81 0.4150
10 O5 Os M 4 3 2 1.569 141.794 -176.42 -0.3890
11 C5 Cg M 10 4 3 1.585 113.364 166.72 0.1000
12 H5 H1 E 11 10 4 1.089 109.200 -122.53 0.0000
13 C6 Cg 3 11 10 4 1.537 108.498 118.12 0.3490
14 H62 H1 E 13 11 10 1.089 110.316 -54.99 0.0000
15 H61 H1 E 13 11 10 1.090 111.054 -175.70 0.0000
16 O6 Os E 13 11 10 1.435 108.026 64.54 -0.4670
17 C4 Cg M 11 10 4 1.619 104.895 -5.59 0.2840
18 H4 H1 E 17 11 10 1.091 107.554 -103.32 0.0000
19 O4 Oh S 17 11 10 1.442 113.035 137.27 -0.6570
20 H4O Ho E 19 17 11 0.969 105.977 -113.16 0.4100
21 C3 Cg M 17 11 10 1.639 107.844 12.75 0.2230
22 H3 H1 E 21 17 11 1.090 110.597 -136.61 0.0000
23 O3 Os M 21 17 11 1.460 109.186 103.85 -0.4490
LOOP
C3 C2
DONE
VKA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 O2 Oh S 6 4 3 1.439 110.808 -54.40 -0.7160
9 H2O Ho E 8 6 4 0.960 109.409 -63.57 0.4270
10 C3 Cg M 6 4 3 1.544 115.219 178.76 0.3540
11 H3 H1 E 10 6 4 1.091 109.846 -171.16 0.0000
12 C4 Cg 3 10 6 4 1.541 111.196 -48.97 0.1960
13 H4 H1 E 12 10 6 1.091 109.723 170.85 0.0000
14 C5 Cg 3 12 10 6 1.549 113.058 48.50 0.3010
15 H5 H1 E 14 12 10 1.092 107.347 66.38 0.0000
16 C6 Cg 3 14 12 10 1.535 114.885 -173.99 0.2870
17 H62 H1 E 16 14 12 1.090 110.246 -52.70 0.0000
18 H61 H1 E 16 14 12 1.091 110.887 67.51 0.0000
19 O6 Os E 16 14 12 1.434 108.908 -172.15 -0.4630
20 O5 Os E 14 12 10 1.489 109.902 -50.90 -0.5400
21 O4 Oh S 12 10 6 1.440 107.338 -72.13 -0.7120
22 H4O Ho E 21 12 10 0.960 109.466 -178.56 0.4200
23 O3 Os M 10 6 4 1.440 110.218 69.79 -0.5020
LOOP
O5 C1
DONE
VKB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Os E 9 7 6 1.441 110.162 62.18 -0.4480
13 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
14 H4 H1 E 13 7 6 1.091 108.867 -172.31 0.0000
15 O4 Oh S 13 7 6 1.455 110.952 69.39 -0.7000
16 H4O Ho E 15 13 7 0.964 110.377 163.16 0.4250
17 C3 Cg M 13 7 6 1.545 111.117 -51.77 0.2530
18 H3 H1 E 17 13 7 1.091 109.391 173.95 0.0000
19 C2 Cg B 17 13 7 1.547 111.988 52.75 0.3080
20 H2 H1 E 19 17 13 1.091 108.509 65.85 0.0000
21 O2 Oh S 19 17 13 1.462 109.337 -176.76 -0.7100
22 H2O Ho E 21 19 17 0.965 108.091 178.76 0.4260
23 O3 Os M 17 13 7 1.452 107.992 -68.85 -0.4620
LOOP
C2 C1
DONE
VLA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 O2 Oh S 6 4 3 1.440 109.403 -55.56 -0.7240
9 H2O Ho E 8 6 4 0.960 109.415 -61.40 0.4310
10 C3 Cg M 6 4 3 1.541 112.432 -178.15 0.2530
11 H3 H1 E 10 6 4 1.091 109.206 67.02 0.0000
12 C4 Cg 3 10 6 4 1.544 111.714 -53.08 0.2040
13 H4 H1 E 12 10 6 1.091 109.766 175.51 0.0000
14 C5 Cg 3 12 10 6 1.544 110.422 54.48 0.2160
15 H5 H1 E 14 12 10 1.092 107.514 62.91 0.0000
16 C6 Cg 3 14 12 10 1.535 114.934 -177.18 0.3080
17 H62 H1 E 16 14 12 1.090 110.251 -53.15 0.0000
18 H61 H1 E 16 14 12 1.091 110.918 67.08 0.0000
19 O6 Os E 16 14 12 1.434 108.858 -172.60 -0.4600
20 O5 Os E 14 12 10 1.490 109.289 -54.45 -0.5270
21 O4 Oh S 12 10 6 1.445 109.785 -64.95 -0.6730
22 H4O Ho E 21 12 10 0.960 109.470 179.80 0.4360
23 O3 Os M 10 6 4 1.440 110.035 -174.48 -0.4620
LOOP
O5 C1
DONE
VLB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Os E 9 7 6 1.437 109.027 63.12 -0.4680
13 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
14 H4 H1 E 13 7 6 1.091 109.333 -173.92 0.0000
15 O4 Oh S 13 7 6 1.449 109.628 67.34 -0.6640
16 H4O Ho E 15 13 7 0.967 107.158 -172.89 0.4370
17 C3 Cg M 13 7 6 1.546 110.517 -53.62 0.2590
18 H3 H1 E 17 13 7 1.092 108.098 -64.81 0.0000
19 C2 Cg B 17 13 7 1.547 112.254 55.04 0.3570
20 H2 H1 E 19 17 13 1.092 109.716 67.43 0.0000
21 O2 Oh S 19 17 13 1.459 108.705 -173.71 -0.7260
22 H2O Ho E 21 19 17 0.965 107.724 175.67 0.4320
23 O3 Os M 17 13 7 1.455 109.126 178.29 -0.4550
LOOP
C2 C1
DONE
VMA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 O2 Oh S 6 4 3 1.459 110.007 79.71 -0.7170
9 H2O Ho E 8 6 4 0.965 108.621 167.29 0.4460
10 C3 Cg M 6 4 3 1.545 110.571 -158.93 0.2520
11 H3 H1 E 10 6 4 1.092 108.528 64.93 0.0000
12 C4 Cg 3 10 6 4 1.549 111.609 -54.79 0.3260
13 H4 H1 E 12 10 6 1.091 109.865 -64.38 0.0000
14 C5 Cg 3 12 10 6 1.546 110.605 57.15 0.2760
15 H5 H1 E 14 12 10 1.092 108.214 65.71 0.0000
16 C6 Cg 3 14 12 10 1.544 112.153 -174.59 0.2660
17 H62 H1 E 16 14 12 1.090 110.579 -46.84 0.0000
18 H61 H1 E 16 14 12 1.091 110.051 72.33 0.0000
19 O6 Os E 16 14 12 1.444 110.952 -166.67 -0.4600
20 O5 Os E 14 12 10 1.497 110.394 -52.31 -0.5070
21 O4 Oh S 12 10 6 1.452 108.734 176.59 -0.7330
22 H4O Ho E 21 12 10 0.966 107.267 52.91 0.4380
23 O3 Os M 10 6 4 1.461 109.595 -177.93 -0.4590
LOOP
O5 C1
DONE
VMB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Os E 9 7 6 1.439 109.850 57.44 -0.4550
13 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
14 H4 H1 E 13 7 6 1.091 109.789 70.94 0.0000
15 O4 Oh S 13 7 6 1.452 108.352 -170.58 -0.7460
16 H4O Ho E 15 13 7 0.963 108.380 -159.72 0.4430
17 C3 Cg M 13 7 6 1.553 110.419 -50.51 0.2630
18 H3 H1 E 17 13 7 1.092 108.588 -60.79 0.0000
19 C2 Cg B 17 13 7 1.547 110.623 57.43 0.2410
20 H2 H1 E 19 17 13 1.091 110.076 180.00 0.0000
21 O2 Oh S 19 17 13 1.459 110.769 59.28 -0.6640
22 H2O Ho E 21 19 17 0.964 107.524 -173.81 0.4310
23 O3 Os M 17 13 7 1.457 111.995 -178.50 -0.4560
LOOP
C2 C1
DONE
VNA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 O2 Oh S 6 4 3 1.439 110.664 -54.19 -0.6680
9 H2O Ho E 8 6 4 0.960 109.386 -64.68 0.4150
10 C3 Cg M 6 4 3 1.541 114.996 179.46 0.3300
11 H3 H1 E 10 6 4 1.091 109.966 -173.17 0.0000
12 C4 Cg 3 10 6 4 1.543 108.602 -52.73 0.1670
13 H4 H1 E 12 10 6 1.091 108.011 -66.83 0.0000
14 C5 Cg 3 12 10 6 1.545 113.659 53.52 0.4040
15 H5 H1 E 14 12 10 1.092 109.059 65.09 0.0000
16 C6 Cg 3 14 12 10 1.535 113.747 -172.97 0.2800
17 H62 H1 E 16 14 12 1.090 110.540 -56.41 0.0000
18 H61 H1 E 16 14 12 1.091 110.668 63.75 0.0000
19 O6 Os E 16 14 12 1.434 109.011 -175.88 -0.4610
20 O5 Os E 14 12 10 1.489 108.589 -53.11 -0.6110
21 O4 Oh S 12 10 6 1.439 109.206 176.30 -0.7330
22 H4O Ho E 21 12 10 0.960 109.442 -63.39 0.4440
23 O3 Os M 10 6 4 1.445 109.604 67.22 -0.4670
LOOP
O5 C1
DONE
VNB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Os E 9 7 6 1.438 109.178 57.79 -0.4650
13 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
14 H4 H1 E 13 7 6 1.091 108.641 63.49 0.0000
15 O4 Oh S 13 7 6 1.447 110.674 -178.31 -0.7070
16 H4O Ho E 15 13 7 0.966 108.053 84.25 0.4300
17 C3 Cg M 13 7 6 1.546 111.303 -56.16 0.2340
18 H3 H1 E 17 13 7 1.092 109.685 177.82 0.0000
19 C2 Cg B 17 13 7 1.544 109.920 57.50 0.3010
20 H2 H1 E 19 17 13 1.093 108.226 64.66 0.0000
21 O2 Oh S 19 17 13 1.458 109.185 -178.16 -0.7030
22 H2O Ho E 21 19 17 0.966 108.382 -178.62 0.4240
23 O3 Os M 17 13 7 1.458 109.719 -63.09 -0.4200
LOOP
C2 C1
DONE
VPD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240
5 C1 Cg 3 4 3 2 1.533 28.030 -160.44 0.2860
6 H12 H1 E 5 4 3 1.091 110.436 100.46 0.0000
7 H11 H1 E 5 4 3 1.091 110.553 -139.51 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 -19.62 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 179.30 0.4190
10 C3 Cg M 4 3 2 1.632 94.644 -17.33 0.3340
11 H3 H1 E 10 4 3 1.090 107.716 7.04 0.0000
12 C4 Cg 3 10 4 3 1.629 107.129 121.35 0.2820
13 H4 H1 E 12 10 4 1.091 111.828 -141.87 0.0000
14 C5 Cg 3 12 10 4 1.626 106.867 -18.01 0.1940
15 H5 H1 E 14 12 10 1.092 111.109 129.12 0.0000
16 C6 Cg 3 14 12 10 1.529 112.801 -107.47 0.2910
17 H62 H1 E 16 14 12 1.091 110.695 60.83 0.0000
18 H61 H1 E 16 14 12 1.090 110.281 -59.44 0.0000
19 O6 Os E 16 14 12 1.433 108.604 -178.96 -0.4780
20 O5 Os E 14 12 10 1.580 105.532 10.85 -0.4530
21 O4 Oh S 12 10 4 1.437 109.593 96.29 -0.6830
22 H4O Ho E 21 12 10 0.960 109.464 62.85 0.4210
23 O3 Os M 10 4 3 1.441 114.290 -111.78 -0.4400
LOOP
O5 C2
DONE
VPU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880
5 C1 Cg 3 4 3 2 1.541 66.606 -151.42 0.3650
6 H12 H1 E 5 4 3 1.091 110.660 23.30 0.0000
7 H11 H1 E 5 4 3 1.090 109.918 142.71 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 -97.59 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 179.45 0.4180
10 O5 Os M 4 3 2 1.576 153.289 123.56 -0.4800
11 C5 Cg M 10 4 3 1.576 112.884 -156.65 0.3690
12 H5 H1 E 11 10 4 1.092 109.275 -128.49 0.0000
13 C6 Cg 3 11 10 4 1.529 108.414 112.31 0.2150
14 H62 H1 E 13 11 10 1.091 110.659 -56.54 0.0000
15 H61 H1 E 13 11 10 1.090 110.301 -176.80 0.0000
16 O6 Os E 13 11 10 1.433 108.649 63.62 -0.4510
17 C4 Cg M 11 10 4 1.623 105.494 -8.76 0.1920
18 H4 H1 E 17 11 10 1.091 112.074 133.66 0.0000
19 O4 Oh S 17 11 10 1.438 106.122 -107.17 -0.7110
20 H4O Ho E 19 17 11 0.960 109.445 -63.95 0.4380
21 C3 Cg M 17 11 10 1.631 107.338 11.41 0.3340
22 H3 H1 E 21 17 11 1.091 107.070 107.51 0.0000
23 O3 Os M 21 17 11 1.441 112.809 -134.73 -0.4840
LOOP
C3 C2
DONE
VTA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 O2 Oh S 6 4 3 1.440 106.453 57.61 -0.6550
9 H2O Ho E 8 6 4 0.960 109.490 -58.28 0.4360
10 C3 Cg M 6 4 3 1.545 112.024 178.31 0.1240
11 H3 H1 E 10 6 4 1.091 106.708 69.61 0.0000
12 C4 Cg 3 10 6 4 1.543 114.910 -48.48 0.4340
13 H4 H1 E 12 10 6 1.091 109.633 172.69 0.0000
14 C5 Cg 3 12 10 6 1.544 109.739 52.34 0.1570
15 H5 H1 E 14 12 10 1.092 107.463 63.77 0.0000
16 C6 Cg 3 14 12 10 1.535 114.896 -176.35 0.3040
17 H62 H1 E 16 14 12 1.090 110.263 -52.86 0.0000
18 H61 H1 E 16 14 12 1.091 110.896 67.37 0.0000
19 O6 Os E 16 14 12 1.434 108.863 -172.31 -0.4620
20 O5 Os E 14 12 10 1.488 109.541 -53.52 -0.4800
21 O4 Oh S 12 10 6 1.443 110.261 -67.82 -0.7310
22 H4O Ho E 21 12 10 0.960 109.459 -179.88 0.4170
23 O3 Os M 10 6 4 1.439 110.774 -174.86 -0.4390
LOOP
O5 C1
DONE
VTB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Os E 9 7 6 1.434 108.837 64.00 -0.4540
13 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
14 H4 H1 E 13 7 6 1.091 109.475 -172.25 0.0000
15 O4 Oh S 13 7 6 1.443 108.917 69.31 -0.6260
16 H4O Ho E 15 13 7 0.960 109.455 59.28 0.4130
17 C3 Cg M 13 7 6 1.547 110.218 -51.66 0.1740
18 H3 H1 E 17 13 7 1.091 106.762 -67.21 0.0000
19 C2 Cg B 17 13 7 1.545 114.890 50.96 0.3400
20 H2 H1 E 19 17 13 1.091 109.957 -172.30 0.0000
21 O2 Oh S 19 17 13 1.444 109.766 67.90 -0.6370
22 H2O Ho E 21 19 17 0.960 109.413 -178.32 0.3970
23 O3 Os M 17 13 7 1.439 110.707 177.22 -0.4470
LOOP
C2 C1
DONE
VVA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.481 98.684 -135.89 0.3890
5 H1 H2 E 4 3 2 1.090 143.995 158.32 0.0000
6 C2 Cg M 4 3 2 1.564 98.936 18.14 0.3990
7 H2 H1 E 6 4 3 1.092 107.476 -151.91 0.0000
8 N2 Ng B 6 4 3 1.483 111.776 89.86 -0.5950
9 H2N H E 8 6 4 1.007 117.335 -84.05 0.2380
10 C2N C B 8 6 4 1.336 122.570 82.01 0.6250
11 CME Cg 3 10 8 6 1.541 116.317 -175.68 0.0320
12 H3M Hc E 11 10 8 1.091 110.069 50.52 0.0000
13 H2M Hc E 11 10 8 1.091 110.181 170.34 0.0000
14 H1M Hc E 11 10 8 1.091 109.644 -69.76 0.0000
15 O2N O E 10 8 6 1.227 121.897 4.65 -0.6050
16 C3 Cg M 6 4 3 1.551 110.856 -34.26 0.1760
17 H3 H1 E 16 6 4 1.091 108.463 65.04 0.0000
18 C4 Cg 3 16 6 4 1.547 111.657 -53.80 0.3260
19 H4 H1 E 18 16 6 1.091 109.161 175.84 0.0000
20 C5 Cg 3 18 16 6 1.548 111.081 55.51 0.1120
21 H5 H1 E 20 18 16 1.091 106.814 64.45 0.0000
22 C6 Cg 3 20 18 16 1.543 114.704 -178.15 0.3620
23 H62 H1 E 22 20 18 1.090 110.167 -176.18 0.0000
24 H61 H1 E 22 20 18 1.090 109.608 -57.43 0.0000
25 O6 Os E 22 20 18 1.435 111.052 62.92 -0.4810
26 O5 Os E 20 18 16 1.497 110.914 -51.89 -0.4660
27 O4 Oh S 18 16 6 1.450 108.917 -66.09 -0.7010
28 H4O Ho E 27 18 16 0.968 106.613 -47.88 0.4420
29 O3 Os M 16 6 4 1.462 112.217 -176.56 -0.4470
LOOP
O5 C1
DONE
VVB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.423 98.572 -136.34 0.3050
5 H1 H2 E 4 3 2 1.091 71.466 -92.28 0.0000
6 O5 Os M 4 3 2 1.472 131.894 169.48 -0.4080
7 C5 Cg M 6 4 3 1.495 116.111 147.03 0.1360
8 H5 H1 E 7 6 4 1.092 107.966 -63.70 0.0000
9 C6 Cg 3 7 6 4 1.539 109.857 178.62 0.3530
10 H62 H1 E 9 7 6 1.090 110.929 -56.55 0.0000
11 H61 H1 E 9 7 6 1.091 110.331 -176.87 0.0000
12 O6 Os E 9 7 6 1.436 108.896 63.69 -0.4810
13 C4 Cg M 7 6 4 1.544 110.300 53.58 0.2530
14 H4 H1 E 13 7 6 1.091 109.265 -173.55 0.0000
15 O4 Oh S 13 7 6 1.445 109.653 67.69 -0.6900
16 H4O Ho E 15 13 7 0.968 108.059 -163.84 0.4400
17 C3 Cg M 13 7 6 1.544 111.265 -52.85 0.1520
18 H3 H1 E 17 13 7 1.092 108.104 -62.30 0.0000
19 C2 Cg B 17 13 7 1.558 111.369 56.32 0.5440
20 H2 H1 E 19 17 13 1.091 108.714 61.92 0.0000
21 N2 Ng B 19 17 13 1.481 110.595 -177.69 -0.6860
22 H2N H E 21 19 17 1.005 118.080 75.06 0.2540
23 C2N C B 21 19 17 1.336 122.747 -106.72 0.5860
24 O2N O E 23 21 19 1.227 122.402 0.23 -0.5640
25 CME Cg 3 23 21 19 1.543 116.272 179.61 0.0560
26 H3M Hc E 25 23 21 1.092 110.645 35.56 0.0000
27 H2M Hc E 25 23 21 1.091 109.982 155.53 0.0000
28 H1M Hc E 25 23 21 1.091 109.419 -84.79 0.0000
29 O3 Os M 17 13 7 1.462 108.677 -178.29 -0.4440
LOOP
C2 C1
DONE
VWA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.550 -135.71 0.4621
5 H1 H2 E 4 3 2 1.090 140.848 159.80 0.0000
6 C2 Cg M 4 3 2 1.554 101.409 17.32 0.2750
7 H2 H1 E 6 4 3 1.092 108.155 87.79 0.0000
8 N2 Ng B 6 4 3 1.482 111.229 -154.80 -0.4751
9 H2N H E 8 6 4 1.007 117.562 110.34 0.2142
10 C2N C B 8 6 4 1.336 123.787 -73.97 0.5909
11 CME Cg 3 10 8 6 1.539 115.681 -177.62 -0.0340
12 H3M Hc E 11 10 8 1.091 109.810 -60.19 0.0000
13 H2M Hc E 11 10 8 1.091 110.252 179.93 0.0000
14 H1M Hc E 11 10 8 1.091 109.868 60.00 0.0000
15 O2N O E 10 8 6 1.229 122.265 3.32 -0.5757
16 C3 Cg M 6 4 3 1.549 109.899 -30.46 0.2520
17 H3 H1 E 16 6 4 1.091 108.295 65.94 0.0000
18 C4 Cg 3 16 6 4 1.550 112.400 -53.90 0.3213
19 H4 H1 E 18 16 6 1.091 108.333 -69.37 0.0000
20 C5 Cg 3 18 16 6 1.547 112.664 51.61 0.2421
21 H5 H1 E 20 18 16 1.092 107.873 70.23 0.0000
22 C6 Cg 3 20 18 16 1.545 113.564 -171.33 0.2995
23 H62 H1 E 22 20 18 1.090 109.575 173.73 0.0000
24 H61 H1 E 22 20 18 1.090 109.924 -68.06 0.0000
25 O6 Os E 22 20 18 1.443 112.033 52.74 -0.4599
26 O5 Os E 20 18 16 1.495 111.317 -46.63 -0.5415
27 O4 Oh S 18 16 6 1.458 109.485 172.59 -0.7305
28 H4O Ho E 27 18 16 0.964 111.017 -55.33 0.4424
29 O3 Os M 16 6 4 1.455 110.348 -176.42 -0.4768
LOOP
O5 C1
DONE
VWB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.516 98.511 -136.43 0.3870
5 H1 H2 E 4 3 2 1.091 72.898 -90.19 0.0000
6 O5 Os M 4 3 2 1.464 129.676 168.95 -0.4980
7 C5 Cg M 6 4 3 1.498 114.507 143.60 0.3210
8 H5 H1 E 7 6 4 1.092 108.050 -62.29 0.0000
9 C6 Cg 3 7 6 4 1.542 108.838 -179.98 0.2470
10 H62 H1 E 9 7 6 1.091 110.098 -62.68 0.0000
11 H61 H1 E 9 7 6 1.090 110.437 177.81 0.0000
12 O6 Os E 9 7 6 1.442 110.379 57.48 -0.4440
13 C4 Cg M 7 6 4 1.549 109.860 56.38 0.2770
14 H4 H1 E 13 7 6 1.092 109.334 70.38 0.0000
15 O4 Oh S 13 7 6 1.447 108.932 -170.99 -0.7430
16 H4O Ho E 15 13 7 0.968 107.478 170.69 0.4390
17 C3 Cg M 13 7 6 1.551 111.754 -50.66 0.2170
18 H3 H1 E 17 13 7 1.092 108.749 -66.35 0.0000
19 C2 Cg B 17 13 7 1.550 112.012 52.70 0.2940
20 H2 H1 E 19 17 13 1.092 107.937 -171.40 0.0000
21 N2 Ng B 19 17 13 1.485 111.811 69.61 -0.5580
22 H2N H E 21 19 17 1.007 117.378 -91.94 0.2650
23 C2N C B 21 19 17 1.337 123.528 90.12 0.5850
24 O2N O E 23 21 19 1.229 121.350 -4.57 -0.6000
25 CME Cg 3 23 21 19 1.544 116.722 177.13 0.0560
26 H3M Hc E 25 23 21 1.092 111.211 -15.23 0.0000
27 H2M Hc E 25 23 21 1.091 109.840 -135.47 0.0000
28 H1M Hc E 25 23 21 1.090 109.199 104.92 0.0000
29 O3 Os M 17 13 7 1.458 109.433 176.28 -0.4390
LOOP
C2 C1
DONE
VYA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.519 98.653 -135.65 0.4680
5 H1 H2 E 4 3 2 1.090 141.692 162.29 0.0000
6 C2 Cg M 4 3 2 1.558 103.961 13.89 0.2450
7 H2 H1 E 6 4 3 1.092 106.853 -149.41 0.0000
8 N2 Ng B 6 4 3 1.486 111.224 93.53 -0.5520
9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360
10 C2N C B 8 6 4 1.338 124.714 152.48 0.5880
11 CME Cg 3 10 8 6 1.544 117.110 -175.73 0.0630
12 H3M Hc E 11 10 8 1.092 111.363 2.06 0.0000
13 H2M Hc E 11 10 8 1.091 109.387 122.31 0.0000
14 H1M Hc E 11 10 8 1.090 109.379 -118.32 0.0000
15 O2N O E 10 8 6 1.228 121.379 4.88 -0.5790
16 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650
17 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000
18 C4 Cg 3 16 6 4 1.546 112.211 -50.71 0.3220
19 H4 H1 E 18 16 6 1.091 108.977 -70.26 0.0000
20 C5 Cg 3 18 16 6 1.544 112.523 51.74 0.2460
21 H5 H1 E 20 18 16 1.092 108.088 68.11 0.0000
22 C6 Cg 3 20 18 16 1.544 112.817 -173.43 0.3280
23 H62 H1 E 22 20 18 1.090 110.073 -62.63 0.0000
24 H61 H1 E 22 20 18 1.090 109.603 179.01 0.0000
25 O6 Os E 22 20 18 1.444 111.701 58.39 -0.4610
26 O5 Os E 20 18 16 1.500 111.305 -49.14 -0.5680
27 O4 Oh S 18 16 6 1.448 107.905 171.55 -0.7330
28 H4O Ho E 27 18 16 0.967 106.060 48.68 0.4490
29 O3 Os M 16 6 4 1.457 109.988 -171.07 -0.4110
LOOP
O5 C1
DONE
VYB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.493 98.498 -136.36 0.2870
5 H1 H2 E 4 3 2 1.091 71.450 -93.59 0.0000
6 O5 Os M 4 3 2 1.468 130.511 167.53 -0.4330
7 C5 Cg M 6 4 3 1.493 115.188 144.42 0.2080
8 H5 H1 E 7 6 4 1.092 108.293 -60.80 0.0000
9 C6 Cg 3 7 6 4 1.540 109.520 -179.10 0.2890
10 H62 H1 E 9 7 6 1.091 110.298 -62.00 0.0000
11 H61 H1 E 9 7 6 1.090 110.526 178.17 0.0000
12 O6 Os E 9 7 6 1.439 109.712 58.17 -0.4590
13 C4 Cg M 7 6 4 1.542 108.679 57.57 0.3020
14 H4 H1 E 13 7 6 1.092 109.552 66.23 0.0000
15 O4 Oh S 13 7 6 1.444 108.611 -175.00 -0.7160
16 H4O Ho E 15 13 7 0.967 106.789 174.20 0.4360
17 C3 Cg M 13 7 6 1.547 111.743 -55.34 0.1800
18 H3 H1 E 17 13 7 1.092 108.855 -63.61 0.0000
19 C2 Cg B 17 13 7 1.555 110.847 55.82 0.4800
20 H2 H1 E 19 17 13 1.092 108.016 63.51 0.0000
21 N2 Ng B 19 17 13 1.484 110.897 -176.40 -0.7220
22 H2N H E 21 19 17 1.006 117.592 78.54 0.3000
23 C2N C B 21 19 17 1.336 123.143 -111.93 0.6480
24 O2N O E 23 21 19 1.226 122.116 6.61 -0.5760
25 CME Cg 3 23 21 19 1.542 116.434 -175.43 0.0340
26 H3M Hc E 25 23 21 1.092 110.630 37.74 0.0000
27 H2M Hc E 25 23 21 1.091 110.076 157.79 0.0000
28 H1M Hc E 25 23 21 1.091 109.335 -82.58 0.0000
29 O3 Os M 17 13 7 1.462 108.350 179.31 -0.4520
LOOP
C2 C1
DONE
VbD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410
5 C1 Cg 3 4 3 2 1.546 22.070 -155.25 0.3130
6 H11 H1 E 5 4 3 1.091 109.856 0.87 0.0000
7 H12 H1 E 5 4 3 1.090 110.325 119.99 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -119.49 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 163.85 0.4140
10 O5 Os M 4 3 2 1.565 96.957 71.60 -0.4520
11 C5 Cg M 10 4 3 1.587 113.494 153.37 0.2710
12 H5 H1 E 11 10 4 1.091 109.010 115.27 0.0000
13 C6 Cg 3 11 10 4 1.543 109.502 -125.08 0.2810
14 H61 H1 E 13 11 10 1.090 110.249 169.67 0.0000
15 H62 H1 E 13 11 10 1.091 109.980 50.42 0.0000
16 O6 Os E 13 11 10 1.443 110.886 -70.57 -0.4620
17 C4 Cg M 11 10 4 1.626 104.732 -0.82 0.2250
18 H4 H1 E 17 11 10 1.091 107.421 106.22 0.0000
19 O4 Oh S 17 11 10 1.457 113.168 -134.63 -0.7100
20 H4O Ho E 19 17 11 0.965 109.577 -164.20 0.4350
21 C3 Cg M 17 11 10 1.636 107.413 -10.45 0.4400
22 H3 H1 E 21 17 11 1.090 107.628 -98.64 0.0000
23 O3 Os M 21 17 11 1.453 110.696 144.44 -0.5220
LOOP
C3 C2
DONE
VbU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470
5 C1 Cg 3 4 3 2 1.553 43.383 -64.68 0.2990
6 H11 H1 E 5 4 3 1.091 109.538 173.60 0.0000
7 H12 H1 E 5 4 3 1.091 110.361 -67.58 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 53.50 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 172.60 0.3820
10 C3 Cg M 4 3 2 1.635 135.193 -142.32 0.3820
11 H3 H1 E 10 4 3 1.091 108.980 -85.98 0.0000
12 C4 Cg 3 10 4 3 1.637 107.249 157.15 0.2830
13 H4 H1 E 12 10 4 1.091 108.865 -102.82 0.0000
14 C5 Cg 3 12 10 4 1.624 107.577 13.45 0.2100
15 H5 H1 E 14 12 10 1.091 108.969 -127.62 0.0000
16 C6 Cg 3 14 12 10 1.541 114.994 109.54 0.3320
17 H61 H1 E 16 14 12 1.090 109.861 59.82 0.0000
18 H62 H1 E 16 14 12 1.090 110.302 -59.54 0.0000
19 O6 Os E 16 14 12 1.442 110.695 179.56 -0.4860
20 O5 Os E 14 12 10 1.582 104.801 -11.31 -0.3850
21 O4 Oh S 12 10 4 1.453 111.864 137.73 -0.7550
22 H4O Ho E 21 12 10 0.964 109.402 67.17 0.4340
23 O3 Os M 10 4 3 1.455 113.678 34.22 -0.5100
LOOP
O5 C2
DONE
VcD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840
5 C1 Cg 3 4 3 2 1.556 17.540 -147.50 0.3700
6 H11 H1 E 5 4 3 1.091 110.210 18.90 0.0000
7 H12 H1 E 5 4 3 1.091 109.651 137.75 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -102.08 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 -49.38 0.4140
10 O5 Os M 4 3 2 1.564 97.899 67.10 -0.4980
11 C5 Cg M 10 4 3 1.584 113.350 147.62 0.3090
12 H5 H1 E 11 10 4 1.092 109.375 118.93 0.0000
13 C6 Cg 3 11 10 4 1.538 110.489 -119.98 0.2650
14 H61 H1 E 13 11 10 1.090 109.956 165.98 0.0000
15 H62 H1 E 13 11 10 1.091 109.952 47.12 0.0000
16 O6 Os E 13 11 10 1.442 111.246 -74.00 -0.4460
17 C4 Cg M 11 10 4 1.621 104.926 0.33 0.3320
18 H4 H1 E 17 11 10 1.091 111.196 -131.00 0.0000
19 O4 Oh S 17 11 10 1.453 109.530 109.63 -0.7840
20 H4O Ho E 19 17 11 0.965 110.375 -68.04 0.4440
21 C3 Cg M 17 11 10 1.638 107.987 -8.85 0.2820
22 H3 H1 E 21 17 11 1.091 111.251 134.95 0.0000
23 O3 Os M 21 17 11 1.460 108.216 -106.61 -0.4780
LOOP
C3 C2
DONE
VcU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390
5 C1 Cg 3 4 3 2 1.537 53.448 -6.93 0.2870
6 H11 H1 E 5 4 3 1.091 109.952 -154.15 0.0000
7 H12 H1 E 5 4 3 1.091 110.638 -34.86 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 86.15 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 179.97 0.4010
10 C3 Cg M 4 3 2 1.636 113.047 -107.26 0.3330
11 H3 H1 E 10 4 3 1.091 111.948 41.20 0.0000
12 C4 Cg 3 10 4 3 1.624 107.103 164.76 0.2930
13 H4 H1 E 12 10 4 1.092 112.868 136.79 0.0000
14 C5 Cg 3 12 10 4 1.622 107.882 12.29 0.3100
15 H5 H1 E 14 12 10 1.092 110.981 -127.12 0.0000
16 C6 Cg 3 14 12 10 1.529 112.711 109.36 0.2720
17 H61 H1 E 16 14 12 1.090 110.315 59.90 0.0000
18 H62 H1 E 16 14 12 1.091 110.618 -60.32 0.0000
19 O6 Os E 16 14 12 1.433 108.667 179.51 -0.4490
20 O5 Os E 14 12 10 1.577 105.503 -8.77 -0.4490
21 O4 Oh S 12 10 4 1.434 107.032 -103.41 -0.7630
22 H4O Ho E 21 12 10 0.960 109.480 178.44 0.4310
23 O3 Os M 10 4 3 1.439 111.311 -80.89 -0.4750
LOOP
O5 C2
DONE
VeA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Os E 9 7 6 1.434 108.916 -64.43 -0.4510
13 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
14 H4 H1 E 13 7 6 1.091 108.456 -65.22 0.0000
15 O4 Oh S 13 7 6 1.439 109.886 177.28 -0.7210
16 H4O Ho E 15 13 7 0.960 109.412 -63.34 0.4150
17 C3 Cg M 13 7 6 1.544 113.133 54.81 0.3280
18 H3 H1 E 17 13 7 1.091 109.843 -174.05 0.0000
19 C2 Cg B 17 13 7 1.541 111.809 -51.50 0.1790
20 H2 H1 E 19 17 13 1.092 109.967 169.74 0.0000
21 O2 Oh S 19 17 13 1.437 107.327 -73.67 -0.6900
22 H2O Ho E 21 19 17 0.960 109.486 -178.36 0.4470
23 O3 Os M 17 13 7 1.442 110.012 67.08 -0.4880
LOOP
C2 C1
DONE
VeB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 O2 Oh S 6 4 3 1.463 112.571 -104.80 -0.6970
9 H2O Ho E 8 6 4 0.966 108.305 55.11 0.4320
10 C3 Cg M 6 4 3 1.540 108.887 135.69 0.3150
11 H3 H1 E 10 6 4 1.091 109.473 176.26 0.0000
12 C4 Cg 3 10 6 4 1.554 111.264 55.47 0.3200
13 H4 H1 E 12 10 6 1.091 108.716 63.72 0.0000
14 C5 Cg 3 12 10 6 1.549 111.196 -55.77 0.2570
15 H5 H1 E 14 12 10 1.092 109.111 -65.44 0.0000
16 C6 Cg 3 14 12 10 1.541 112.018 174.42 0.2780
17 H61 H1 E 16 14 12 1.090 110.614 60.34 0.0000
18 H62 H1 E 16 14 12 1.091 110.136 -59.38 0.0000
19 O6 Os E 16 14 12 1.439 109.977 -179.42 -0.4630
20 O5 Os E 14 12 10 1.501 109.730 53.07 -0.5320
21 O4 Oh S 12 10 6 1.457 110.079 -178.65 -0.7240
22 H4O Ho E 21 12 10 0.964 110.039 -78.83 0.4200
23 O3 Os M 10 6 4 1.454 108.210 -66.23 -0.4720
LOOP
O5 C1
DONE
VgA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Os E 9 7 6 1.444 110.823 -72.03 -0.4580
13 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
14 H4 H1 E 13 7 6 1.092 109.342 -68.48 0.0000
15 O4 Oh S 13 7 6 1.451 108.995 172.71 -0.7100
16 H4O Ho E 15 13 7 0.968 107.227 -172.23 0.4360
17 C3 Cg M 13 7 6 1.547 111.254 52.54 0.2860
18 H3 H1 E 17 13 7 1.092 109.616 66.99 0.0000
19 C2 Cg B 17 13 7 1.543 112.114 -54.50 0.2460
20 H2 H1 E 19 17 13 1.091 108.373 -65.99 0.0000
21 O2 Oh S 19 17 13 1.465 110.086 176.46 -0.7130
22 H2O Ho E 21 19 17 0.967 109.170 -83.89 0.4370
23 O3 Os M 17 13 7 1.452 108.604 -174.42 -0.4660
LOOP
C2 C1
DONE
VgB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 O2 Oh S 6 4 3 1.458 110.080 20.25 -0.7180
9 H2O Ho E 8 6 4 0.966 108.053 -54.43 0.4370
10 C3 Cg M 6 4 3 1.545 110.380 140.59 0.2840
11 H3 H1 E 10 6 4 1.092 109.008 -69.00 0.0000
12 C4 Cg 3 10 6 4 1.548 112.113 51.91 0.2760
13 H4 H1 E 12 10 6 1.092 109.378 67.39 0.0000
14 C5 Cg 3 12 10 6 1.543 111.306 -53.55 0.2250
15 H5 H1 E 14 12 10 1.092 109.126 -64.00 0.0000
16 C6 Cg 3 14 12 10 1.541 112.515 175.39 0.2820
17 H61 H1 E 16 14 12 1.090 110.609 61.43 0.0000
18 H62 H1 E 16 14 12 1.091 110.212 -58.37 0.0000
19 O6 Os E 16 14 12 1.440 109.810 -178.39 -0.4580
20 O5 Os E 14 12 10 1.495 108.909 54.04 -0.4710
21 O4 Oh S 12 10 6 1.448 109.104 -173.75 -0.7140
22 H4O Ho E 21 12 10 0.967 107.435 -50.50 0.4400
23 O3 Os M 10 6 4 1.454 109.219 172.60 -0.4710
LOOP
O5 C1
DONE
VjD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920
5 C1 Cg 3 4 3 2 1.554 16.572 -148.09 0.3890
6 H11 H1 E 5 4 3 1.091 110.219 17.52 0.0000
7 H12 H1 E 5 4 3 1.091 109.769 136.51 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -103.20 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 -50.29 0.3800
10 O5 Os M 4 3 2 1.567 99.436 71.06 -0.4100
11 C5 Cg M 10 4 3 1.585 113.292 149.88 0.1900
12 H5 H1 E 11 10 4 1.091 109.254 118.42 0.0000
13 C6 Cg 3 11 10 4 1.542 109.417 -121.68 0.3400
14 H61 H1 E 13 11 10 1.090 110.186 170.13 0.0000
15 H62 H1 E 13 11 10 1.090 110.250 50.63 0.0000
16 O6 Os E 13 11 10 1.441 110.517 -70.42 -0.4940
17 C4 Cg M 11 10 4 1.625 104.597 1.92 0.2330
18 H4 H1 E 17 11 10 1.090 107.076 101.60 0.0000
19 O4 Oh S 17 11 10 1.458 113.707 -139.62 -0.6710
20 H4O Ho E 19 17 11 0.965 110.086 -134.30 0.4140
21 C3 Cg M 17 11 10 1.642 107.375 -13.44 0.3930
22 H3 H1 E 21 17 11 1.091 111.073 142.12 0.0000
23 O3 Os M 21 17 11 1.455 107.927 -98.38 -0.4960
LOOP
C3 C2
DONE
VjU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510
5 C1 Cg 3 4 3 2 1.554 41.375 -67.07 0.3330
6 H11 H1 E 5 4 3 1.090 109.574 170.02 0.0000
7 H12 H1 E 5 4 3 1.090 110.121 -71.39 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 49.66 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 173.81 0.4150
10 C3 Cg M 4 3 2 1.643 134.152 -137.11 0.2230
11 H3 H1 E 10 4 3 1.090 111.499 28.62 0.0000
12 C4 Cg 3 10 4 3 1.639 106.529 149.37 0.2840
13 H4 H1 E 12 10 4 1.091 107.844 -100.60 0.0000
14 C5 Cg 3 12 10 4 1.619 107.844 15.28 0.1000
15 H5 H1 E 14 12 10 1.089 109.205 -129.69 0.0000
16 C6 Cg 3 14 12 10 1.537 115.282 106.51 0.3490
17 H61 H1 E 16 14 12 1.090 111.054 58.46 0.0000
18 H62 H1 E 16 14 12 1.089 110.316 -62.25 0.0000
19 O6 Os E 16 14 12 1.435 108.026 178.22 -0.4670
20 O5 Os E 14 12 10 1.585 104.895 -12.75 -0.3890
21 O4 Oh S 12 10 4 1.442 112.118 140.35 -0.6570
22 H4O Ho E 21 12 10 0.969 105.977 -9.00 0.4100
23 O3 Os M 10 4 3 1.460 110.322 -92.24 -0.4490
LOOP
O5 C2
DONE
VkA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Os E 9 7 6 1.434 108.908 -64.18 -0.4630
13 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
14 H4 H1 E 13 7 6 1.091 109.347 173.46 0.0000
15 O4 Oh S 13 7 6 1.440 109.315 -68.60 -0.7120
16 H4O Ho E 15 13 7 0.960 109.466 -58.47 0.4200
17 C3 Cg M 13 7 6 1.541 113.058 50.90 0.3540
18 H3 H1 E 17 13 7 1.091 110.148 -170.51 0.0000
19 C2 Cg B 17 13 7 1.544 111.196 -48.50 0.2810
20 H2 H1 E 19 17 13 1.091 106.696 -68.80 0.0000
21 O2 Oh S 19 17 13 1.439 110.836 175.80 -0.7160
22 H2O Ho E 21 19 17 0.960 109.409 -65.65 0.4270
23 O3 Os M 17 13 7 1.440 107.217 72.05 -0.5020
LOOP
C2 C1
DONE
VkB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 O2 Oh S 6 4 3 1.462 111.766 18.28 -0.7100
9 H2O Ho E 8 6 4 0.965 108.091 -56.20 0.4260
10 C3 Cg M 6 4 3 1.547 110.415 140.23 0.2530
11 H3 H1 E 10 6 4 1.091 109.195 174.71 0.0000
12 C4 Cg 3 10 6 4 1.545 111.988 53.40 0.2170
13 H4 H1 E 12 10 6 1.091 109.393 -172.98 0.0000
14 C5 Cg 3 12 10 6 1.553 111.117 -52.75 0.3030
15 H5 H1 E 14 12 10 1.092 107.789 -66.12 0.0000
16 C6 Cg 3 14 12 10 1.542 113.025 175.07 0.2590
17 H61 H1 E 16 14 12 1.090 110.096 53.77 0.0000
18 H62 H1 E 16 14 12 1.090 110.533 -65.83 0.0000
19 O6 Os E 16 14 12 1.441 110.162 173.71 -0.4480
20 O5 Os E 14 12 10 1.499 110.891 51.77 -0.5140
21 O4 Oh S 12 10 6 1.455 108.780 69.68 -0.7000
22 H4O Ho E 21 12 10 0.964 110.377 74.31 0.4250
23 O3 Os M 10 6 4 1.452 110.271 -66.88 -0.4620
LOOP
O5 C1
DONE
VlA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Os E 9 7 6 1.434 108.858 -64.45 -0.4600
13 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
14 H4 H1 E 13 7 6 1.091 109.671 175.54 0.0000
15 O4 Oh S 13 7 6 1.445 108.372 -65.83 -0.6730
16 H4O Ho E 15 13 7 0.960 109.470 -59.12 0.4360
17 C3 Cg M 13 7 6 1.544 110.422 54.45 0.2530
18 H3 H1 E 17 13 7 1.091 108.559 66.00 0.0000
19 C2 Cg B 17 13 7 1.541 111.714 -54.48 0.3390
20 H2 H1 E 19 17 13 1.091 108.995 -66.63 0.0000
21 O2 Oh S 19 17 13 1.440 110.049 175.31 -0.7240
22 H2O Ho E 21 19 17 0.960 109.415 -62.60 0.4310
23 O3 Os M 17 13 7 1.440 109.147 -176.39 -0.4620
LOOP
C2 C1
DONE
VlB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 O2 Oh S 6 4 3 1.459 109.860 20.73 -0.7260
9 H2O Ho E 8 6 4 0.965 107.724 -55.10 0.4320
10 C3 Cg M 6 4 3 1.547 110.130 140.44 0.2590
11 H3 H1 E 10 6 4 1.092 108.676 -66.21 0.0000
12 C4 Cg 3 10 6 4 1.546 112.254 53.31 0.2030
13 H4 H1 E 12 10 6 1.091 109.260 -175.38 0.0000
14 C5 Cg 3 12 10 6 1.545 110.517 -55.04 0.1400
15 H5 H1 E 14 12 10 1.092 107.648 -63.90 0.0000
16 C6 Cg 3 14 12 10 1.539 113.155 176.88 0.3190
17 H61 H1 E 16 14 12 1.090 110.337 53.86 0.0000
18 H62 H1 E 16 14 12 1.091 110.848 -66.38 0.0000
19 O6 Os E 16 14 12 1.437 109.027 173.44 -0.4680
20 O5 Os E 14 12 10 1.495 110.103 53.62 -0.4020
21 O4 Oh S 12 10 6 1.449 109.638 65.91 -0.6640
22 H4O Ho E 21 12 10 0.967 107.158 51.40 0.4370
23 O3 Os M 10 6 4 1.455 110.815 175.60 -0.4550
LOOP
O5 C1
DONE
VmA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Os E 9 7 6 1.444 110.952 -70.49 -0.4600
13 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
14 H4 H1 E 13 7 6 1.091 109.924 -69.18 0.0000
15 O4 Oh S 13 7 6 1.452 108.824 171.70 -0.7330
16 H4O Ho E 15 13 7 0.966 107.267 -173.46 0.4380
17 C3 Cg M 13 7 6 1.549 110.605 52.31 0.2520
18 H3 H1 E 17 13 7 1.092 108.663 62.49 0.0000
19 C2 Cg B 17 13 7 1.545 111.609 -57.15 0.2450
20 H2 H1 E 19 17 13 1.091 109.207 175.17 0.0000
21 O2 Oh S 19 17 13 1.459 109.731 -66.73 -0.7170
22 H2O Ho E 21 19 17 0.965 108.621 -45.43 0.4460
23 O3 Os M 17 13 7 1.461 110.813 -179.59 -0.4590
LOOP
C2 C1
DONE
VmB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 O2 Oh S 6 4 3 1.459 109.767 -99.50 -0.6640
9 H2O Ho E 8 6 4 0.964 107.524 55.50 0.4310
10 C3 Cg M 6 4 3 1.547 107.300 140.06 0.2630
11 H3 H1 E 10 6 4 1.092 107.890 -58.13 0.0000
12 C4 Cg 3 10 6 4 1.553 110.623 60.52 0.3490
13 H4 H1 E 12 10 6 1.091 109.997 63.90 0.0000
14 C5 Cg 3 12 10 6 1.550 110.419 -57.43 0.2060
15 H5 H1 E 14 12 10 1.092 108.705 -67.76 0.0000
16 C6 Cg 3 14 12 10 1.539 111.873 172.30 0.2730
17 H61 H1 E 16 14 12 1.090 110.558 59.60 0.0000
18 H62 H1 E 16 14 12 1.091 110.262 -60.18 0.0000
19 O6 Os E 16 14 12 1.439 109.850 179.68 -0.4550
20 O5 Os E 14 12 10 1.498 110.843 50.51 -0.3930
21 O4 Oh S 12 10 6 1.452 109.624 -176.73 -0.7460
22 H4O Ho E 21 12 10 0.963 108.380 -79.71 0.4430
23 O3 Os M 10 6 4 1.457 110.746 -174.70 -0.4560
LOOP
O5 C1
DONE
VnA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Os E 9 7 6 1.434 109.011 -63.74 -0.4610
13 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
14 H4 H1 E 13 7 6 1.091 108.424 -67.01 0.0000
15 O4 Oh S 13 7 6 1.439 109.651 175.64 -0.7330
16 H4O Ho E 15 13 7 0.960 109.442 -61.75 0.4440
17 C3 Cg M 13 7 6 1.543 113.659 53.11 0.3300
18 H3 H1 E 17 13 7 1.091 110.022 -173.93 0.0000
19 C2 Cg B 17 13 7 1.541 108.602 -53.52 0.2280
20 H2 H1 E 19 17 13 1.091 106.837 -65.32 0.0000
21 O2 Oh S 19 17 13 1.439 110.703 179.06 -0.6680
22 H2O Ho E 21 19 17 0.960 109.386 -64.03 0.4150
23 O3 Os M 17 13 7 1.445 109.798 66.31 -0.4670
LOOP
C2 C1
DONE
VnB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 O2 Oh S 6 4 3 1.458 111.714 19.64 -0.7030
9 H2O Ho E 8 6 4 0.966 108.382 -58.42 0.4240
10 C3 Cg M 6 4 3 1.544 110.844 141.66 0.2340
11 H3 H1 E 10 6 4 1.092 109.398 175.17 0.0000
12 C4 Cg 3 10 6 4 1.546 109.920 54.68 0.2860
13 H4 H1 E 12 10 6 1.091 108.699 62.12 0.0000
14 C5 Cg 3 12 10 6 1.547 111.303 -57.50 0.1980
15 H5 H1 E 14 12 10 1.091 109.233 -61.92 0.0000
16 C6 Cg 3 14 12 10 1.541 112.741 177.70 0.3130
17 H61 H1 E 16 14 12 1.090 110.689 61.33 0.0000
18 H62 H1 E 16 14 12 1.090 110.338 -58.85 0.0000
19 O6 Os E 16 14 12 1.438 109.178 -178.76 -0.4650
20 O5 Os E 14 12 10 1.500 108.536 56.16 -0.5070
21 O4 Oh S 12 10 6 1.447 109.608 179.74 -0.7070
22 H4O Ho E 21 12 10 0.966 108.053 38.89 0.4300
23 O3 Os M 10 6 4 1.458 109.599 -65.98 -0.4200
LOOP
O5 C1
DONE
VpD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240
5 C1 Cg 3 4 3 2 1.533 11.296 11.27 0.2860
6 H11 H1 E 5 4 3 1.091 110.553 139.19 0.0000
7 H12 H1 E 5 4 3 1.091 110.436 -100.78 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 19.30 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 -179.30 0.4190
10 O5 Os M 4 3 2 1.578 107.245 118.43 -0.4530
11 C5 Cg M 10 4 3 1.580 112.574 125.89 0.1940
12 H5 H1 E 11 10 4 1.092 109.225 119.03 0.0000
13 C6 Cg 3 11 10 4 1.529 108.517 -121.64 0.2910
14 H61 H1 E 13 11 10 1.090 110.281 176.00 0.0000
15 H62 H1 E 13 11 10 1.091 110.695 55.73 0.0000
16 O6 Os E 13 11 10 1.433 108.604 -64.48 -0.4780
17 C4 Cg M 11 10 4 1.626 105.532 -0.49 0.2820
18 H4 H1 E 17 11 10 1.091 112.773 -134.13 0.0000
19 O4 Oh S 17 11 10 1.437 105.885 105.93 -0.6830
20 H4O Ho E 19 17 11 0.960 109.464 -177.78 0.4210
21 C3 Cg M 17 11 10 1.629 106.867 -10.85 0.3340
22 H3 H1 E 21 17 11 1.090 106.567 -97.07 0.0000
23 O3 Os M 21 17 11 1.441 113.670 145.25 -0.4400
LOOP
C3 C2
DONE
VpU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880
5 C1 Cg 3 4 3 2 1.541 49.994 0.67 0.3650
6 H11 H1 E 5 4 3 1.090 109.918 -145.53 0.0000
7 H12 H1 E 5 4 3 1.091 110.660 -26.12 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 94.77 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 -179.45 0.4180
10 C3 Cg M 4 3 2 1.631 108.524 -109.61 0.3340
11 H3 H1 E 10 4 3 1.091 109.543 -74.21 0.0000
12 C4 Cg 3 10 4 3 1.631 107.756 169.64 0.1920
13 H4 H1 E 12 10 4 1.091 111.099 133.10 0.0000
14 C5 Cg 3 12 10 4 1.623 107.338 10.25 0.3690
15 H5 H1 E 14 12 10 1.092 111.285 -129.81 0.0000
16 C6 Cg 3 14 12 10 1.529 112.798 106.76 0.2150
17 H61 H1 E 16 14 12 1.090 110.301 60.35 0.0000
18 H62 H1 E 16 14 12 1.091 110.659 -59.91 0.0000
19 O6 Os E 16 14 12 1.433 108.649 179.93 -0.4510
20 O5 Os E 14 12 10 1.576 105.494 -11.41 -0.4800
21 O4 Oh S 12 10 4 1.438 110.850 -105.23 -0.7110
22 H4O Ho E 21 12 10 0.960 109.445 -179.82 0.4380
23 O3 Os M 10 4 3 1.441 112.255 44.83 -0.4840
LOOP
O5 C2
DONE
VtA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Os E 9 7 6 1.434 108.863 -64.48 -0.4620
13 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
14 H4 H1 E 13 7 6 1.091 109.540 173.93 0.0000
15 O4 Oh S 13 7 6 1.443 109.067 -67.36 -0.7310
16 H4O Ho E 15 13 7 0.960 109.459 -59.56 0.4170
17 C3 Cg M 13 7 6 1.543 109.739 53.52 0.1240
18 H3 H1 E 17 13 7 1.091 106.734 65.74 0.0000
19 C2 Cg B 17 13 7 1.545 114.910 -52.34 0.2450
20 H2 H1 E 19 17 13 1.091 109.723 171.12 0.0000
21 O2 Oh S 19 17 13 1.440 110.347 -69.94 -0.6550
22 H2O Ho E 21 19 17 0.960 109.490 -179.95 0.4360
23 O3 Os M 17 13 7 1.439 110.707 -178.75 -0.4390
LOOP
C2 C1
DONE
VtB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 O2 Oh S 6 4 3 1.444 109.193 -100.97 -0.6370
9 H2O Ho E 8 6 4 0.960 109.413 58.90 0.3970
10 C3 Cg M 6 4 3 1.545 108.990 139.13 0.1740
11 H3 H1 E 10 6 4 1.091 106.777 -66.52 0.0000
12 C4 Cg 3 10 6 4 1.547 114.890 51.64 0.3140
13 H4 H1 E 12 10 6 1.091 109.570 -171.49 0.0000
14 C5 Cg 3 12 10 6 1.547 110.218 -50.96 0.0310
15 H5 H1 E 14 12 10 1.092 107.394 -65.47 0.0000
16 C6 Cg 3 14 12 10 1.535 115.137 174.64 0.3490
17 H61 H1 E 16 14 12 1.090 110.278 53.24 0.0000
18 H62 H1 E 16 14 12 1.091 110.886 -67.01 0.0000
19 O6 Os E 16 14 12 1.434 108.837 172.73 -0.4540
20 O5 Os E 14 12 10 1.487 109.426 51.66 -0.3540
21 O4 Oh S 12 10 6 1.443 110.169 69.26 -0.6260
22 H4O Ho E 21 12 10 0.960 109.455 179.72 0.4130
23 O3 Os M 10 6 4 1.439 110.677 177.92 -0.4470
LOOP
O5 C1
DONE
VvA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.287 114.935 -133.03 0.3890
5 H1 H2 E 4 3 2 1.090 123.196 38.74 0.0000
6 O5 Os M 4 3 2 1.470 74.128 -62.95 -0.4660
7 C5 Cg M 6 4 3 1.497 117.776 -69.87 0.1120
8 H5 H1 E 7 6 4 1.091 107.067 65.15 0.0000
9 C6 Cg 3 7 6 4 1.543 110.655 -179.51 0.3620
10 H61 H1 E 9 7 6 1.090 109.608 -176.18 0.0000
11 H62 H1 E 9 7 6 1.090 110.167 -57.43 0.0000
12 O6 Os E 9 7 6 1.435 111.052 63.47 -0.4810
13 C4 Cg M 7 6 4 1.548 110.914 -51.03 0.3260
14 H4 H1 E 13 7 6 1.091 109.088 172.26 0.0000
15 O4 Oh S 13 7 6 1.450 110.237 -68.94 -0.7010
16 H4O Ho E 15 13 7 0.968 106.613 169.99 0.4420
17 C3 Cg M 13 7 6 1.547 111.081 51.89 0.1760
18 H3 H1 E 17 13 7 1.091 107.961 63.63 0.0000
19 C2 Cg B 17 13 7 1.551 111.657 -55.51 0.3990
20 H2 H1 E 19 17 13 1.092 107.862 -63.61 0.0000
21 N2 Ng B 19 17 13 1.483 110.775 178.49 -0.5950
22 H2N H E 21 19 17 1.007 117.335 -40.12 0.2380
23 C2N C B 21 19 17 1.336 122.570 153.82 0.6250
24 O2N O E 23 21 19 1.227 121.897 -4.65 -0.6050
25 CME Cg 3 23 21 19 1.541 116.317 175.68 0.0320
26 H1M Hc E 25 23 21 1.091 109.644 69.76 0.0000
27 H2M Hc E 25 23 21 1.091 110.181 -170.34 0.0000
28 H3M Hc E 25 23 21 1.091 110.069 -50.52 0.0000
29 O3 Os M 17 13 7 1.462 109.029 179.93 -0.4470
LOOP
C2 C1
DONE
VvB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.231 114.893 -133.39 0.3050
5 H1 H2 E 4 3 2 1.091 65.505 -67.74 0.0000
6 C2 Cg M 4 3 2 1.568 137.512 -160.40 0.5440
7 H2 H1 E 6 4 3 1.091 107.972 -101.23 0.0000
8 N2 Ng B 6 4 3 1.481 111.069 18.97 -0.6860
9 H2N H E 8 6 4 1.005 118.080 45.86 0.2540
10 C2N C B 8 6 4 1.336 122.747 -132.36 0.5860
11 CME Cg 3 10 8 6 1.543 116.272 -179.61 0.0560
12 H1M Hc E 11 10 8 1.091 109.419 84.79 0.0000
13 H2M Hc E 11 10 8 1.091 109.982 -155.53 0.0000
14 H3M Hc E 11 10 8 1.092 110.645 -35.56 0.0000
15 O2N O E 10 8 6 1.227 122.402 -0.23 -0.5640
16 C3 Cg M 6 4 3 1.558 108.807 140.94 0.1520
17 H3 H1 E 16 6 4 1.092 108.105 -63.18 0.0000
18 C4 Cg 3 16 6 4 1.544 111.369 55.44 0.2530
19 H4 H1 E 18 16 6 1.091 109.237 -177.04 0.0000
20 C5 Cg 3 18 16 6 1.544 111.265 -56.32 0.1360
21 H5 H1 E 20 18 16 1.092 107.572 -64.67 0.0000
22 C6 Cg 3 20 18 16 1.539 112.869 176.15 0.3530
23 H61 H1 E 22 20 18 1.091 110.331 53.32 0.0000
24 H62 H1 E 22 20 18 1.090 110.929 -67.00 0.0000
25 O6 Os E 22 20 18 1.436 108.896 172.76 -0.4810
26 O5 Os E 20 18 16 1.495 110.300 52.85 -0.4080
27 O4 Oh S 18 16 6 1.445 108.904 64.66 -0.6900
28 H4O Ho E 27 18 16 0.968 108.059 41.88 0.4400
29 O3 Os M 16 6 4 1.462 113.219 178.26 -0.4440
LOOP
O5 C1
DONE
VwA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.378 115.021 -132.94 0.4621
5 H1 H2 E 4 3 2 1.090 120.003 38.85 0.0000
6 O5 Os M 4 3 2 1.469 73.200 -63.39 -0.5415
7 C5 Cg M 6 4 3 1.495 117.898 -69.31 0.2421
8 H5 H1 E 7 6 4 1.092 106.799 68.49 0.0000
9 C6 Cg 3 7 6 4 1.545 109.924 -175.74 0.2995
10 H61 H1 E 9 7 6 1.090 109.924 -166.49 0.0000
11 H62 H1 E 9 7 6 1.090 109.575 -48.28 0.0000
12 O6 Os E 9 7 6 1.443 112.033 72.71 -0.4599
13 C4 Cg M 7 6 4 1.547 111.317 -49.02 0.3213
14 H4 H1 E 13 7 6 1.091 109.249 -73.83 0.0000
15 O4 Oh S 13 7 6 1.458 108.618 168.10 -0.7305
16 H4O Ho E 15 13 7 0.964 111.017 -68.07 0.4424
17 C3 Cg M 13 7 6 1.550 112.664 46.63 0.2520
18 H3 H1 E 17 13 7 1.091 108.491 68.12 0.0000
19 C2 Cg B 17 13 7 1.549 112.400 -51.61 0.2750
20 H2 H1 E 19 17 13 1.092 108.473 171.95 0.0000
21 N2 Ng B 19 17 13 1.482 111.789 -70.12 -0.4751
22 H2N H E 21 19 17 1.007 117.562 12.93 0.2142
23 C2N C B 21 19 17 1.336 123.787 -162.76 0.5909
24 O2N O E 23 21 19 1.229 122.265 -3.32 -0.5757
25 CME Cg 3 23 21 19 1.539 115.681 177.62 -0.0340
26 H1M Hc E 25 23 21 1.091 109.868 -60.00 0.0000
27 H2M Hc E 25 23 21 1.091 110.252 -179.93 0.0000
28 H3M Hc E 25 23 21 1.091 109.810 60.19 0.0000
29 O3 Os M 17 13 7 1.455 109.482 -174.62 -0.4768
LOOP
C2 C1
DONE
VwB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.322 114.834 -133.45 0.3870
5 H1 H2 E 4 3 2 1.091 67.634 -69.01 0.0000
6 C2 Cg M 4 3 2 1.557 139.933 -164.47 0.2940
7 H2 H1 E 6 4 3 1.092 107.791 25.05 0.0000
8 N2 Ng B 6 4 3 1.485 112.591 -94.31 -0.5580
9 H2N H E 8 6 4 1.007 117.378 -30.20 0.2650
10 C2N C B 8 6 4 1.337 123.528 147.74 0.5850
11 CME Cg 3 10 8 6 1.544 116.722 -177.13 0.0560
12 H1M Hc E 11 10 8 1.090 109.199 -104.92 0.0000
13 H2M Hc E 11 10 8 1.091 109.840 135.47 0.0000
14 H3M Hc E 11 10 8 1.092 111.211 15.23 0.0000
15 O2N O E 10 8 6 1.229 121.350 4.57 -0.6000
16 C3 Cg M 6 4 3 1.550 108.254 141.57 0.2170
17 H3 H1 E 16 6 4 1.092 107.807 -64.62 0.0000
18 C4 Cg 3 16 6 4 1.551 112.012 54.98 0.2770
19 H4 H1 E 18 16 6 1.092 109.220 68.41 0.0000
20 C5 Cg 3 18 16 6 1.549 111.754 -52.70 0.3210
21 H5 H1 E 20 18 16 1.092 108.891 -67.49 0.0000
22 C6 Cg 3 20 18 16 1.542 112.546 172.10 0.2470
23 H61 H1 E 22 20 18 1.090 110.437 60.16 0.0000
24 H62 H1 E 22 20 18 1.091 110.098 -59.35 0.0000
25 O6 Os E 22 20 18 1.442 110.379 -179.51 -0.4440
26 O5 Os E 20 18 16 1.498 109.860 50.66 -0.4980
27 O4 Oh S 18 16 6 1.447 108.869 -173.07 -0.7430
28 H4O Ho E 27 18 16 0.968 107.478 -48.60 0.4390
29 O3 Os M 16 6 4 1.458 111.031 177.66 -0.4390
LOOP
O5 C1
DONE
VyA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.337 115.005 -132.87 0.4680
5 H1 H2 E 4 3 2 1.090 120.341 36.84 0.0000
6 O5 Os M 4 3 2 1.463 68.163 -62.20 -0.5680
7 C5 Cg M 6 4 3 1.500 118.098 -74.28 0.2460
8 H5 H1 E 7 6 4 1.092 107.019 68.26 0.0000
9 C6 Cg 3 7 6 4 1.544 110.054 -175.47 0.3280
10 H61 H1 E 9 7 6 1.090 109.603 -54.04 0.0000
11 H62 H1 E 9 7 6 1.090 110.073 -172.40 0.0000
12 O6 Os E 9 7 6 1.444 111.701 66.58 -0.4610
13 C4 Cg M 7 6 4 1.544 111.305 -49.64 0.3220
14 H4 H1 E 13 7 6 1.091 109.775 -72.41 0.0000
15 O4 Oh S 13 7 6 1.448 108.615 168.54 -0.7330
16 H4O Ho E 15 13 7 0.967 106.060 -170.93 0.4490
17 C3 Cg M 13 7 6 1.546 112.523 49.14 0.1650
18 H3 H1 E 17 13 7 1.092 109.255 68.91 0.0000
19 C2 Cg B 17 13 7 1.547 112.211 -51.74 0.2450
20 H2 H1 E 19 17 13 1.092 107.659 -66.49 0.0000
21 N2 Ng B 19 17 13 1.486 111.285 175.94 -0.5520
22 H2N H E 21 19 17 1.009 115.982 -94.71 0.2360
23 C2N C B 21 19 17 1.338 124.714 81.84 0.5880
24 O2N O E 23 21 19 1.228 121.379 -4.88 -0.5790
25 CME Cg 3 23 21 19 1.544 117.110 175.73 0.0630
26 H1M Hc E 25 23 21 1.090 109.379 118.32 0.0000
27 H2M Hc E 25 23 21 1.091 109.387 -122.31 0.0000
28 H3M Hc E 25 23 21 1.092 111.363 -2.06 0.0000
29 O3 Os M 17 13 7 1.457 108.091 -173.19 -0.4110
LOOP
C2 C1
DONE
VyB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.305 114.875 -133.41 0.2870
5 H1 H2 E 4 3 2 1.091 64.963 -66.48 0.0000
6 C2 Cg M 4 3 2 1.566 139.050 -158.60 0.4800
7 H2 H1 E 6 4 3 1.092 107.602 -101.85 0.0000
8 N2 Ng B 6 4 3 1.484 111.108 18.10 -0.7220
9 H2N H E 8 6 4 1.006 117.592 43.53 0.3000
10 C2N C B 8 6 4 1.336 123.143 -126.00 0.6480
11 CME Cg 3 10 8 6 1.542 116.434 175.43 0.0340
12 H1M Hc E 11 10 8 1.091 109.335 82.58 0.0000
13 H2M Hc E 11 10 8 1.091 110.076 -157.79 0.0000
14 H3M Hc E 11 10 8 1.092 110.630 -37.74 0.0000
15 O2N O E 10 8 6 1.226 122.116 -6.61 -0.5760
16 C3 Cg M 6 4 3 1.555 109.532 140.96 0.1800
17 H3 H1 E 16 6 4 1.092 108.635 -66.15 0.0000
18 C4 Cg 3 16 6 4 1.547 110.847 53.41 0.3020
19 H4 H1 E 18 16 6 1.092 109.529 65.76 0.0000
20 C5 Cg 3 18 16 6 1.542 111.743 -55.82 0.2080
21 H5 H1 E 20 18 16 1.092 109.079 -62.53 0.0000
22 C6 Cg 3 20 18 16 1.540 112.556 176.83 0.2890
23 H61 H1 E 22 20 18 1.090 110.526 60.82 0.0000
24 H62 H1 E 22 20 18 1.091 110.298 -59.01 0.0000
25 O6 Os E 22 20 18 1.439 109.712 -179.18 -0.4590
26 O5 Os E 20 18 16 1.493 108.679 55.34 -0.4330
27 O4 Oh S 18 16 6 1.444 108.505 -175.54 -0.7160
28 H4O Ho E 27 18 16 0.967 106.789 -52.54 0.4360
29 O3 Os M 16 6 4 1.462 112.173 174.68 -0.4520
LOOP
O5 C1
DONE
WAA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.676 79.166 -133.49 0.4480
5 H1 H2 E 4 3 2 1.091 24.223 90.04 0.0000
6 C2 Cg M 4 3 2 1.547 97.401 -30.99 0.2680
7 H2 H1 E 6 4 3 1.092 109.940 -51.47 0.0000
8 O2 Oh S 6 4 3 1.437 106.880 64.80 -0.7350
9 H2O Ho E 8 6 4 0.960 109.480 -177.98 0.4430
10 C3 Cg M 6 4 3 1.543 115.075 -176.20 0.3350
11 H3 H1 E 10 6 4 1.091 110.217 -167.01 0.0000
12 C4 Cg 3 10 6 4 1.543 111.532 -44.66 0.2450
13 H4 H1 E 12 10 6 1.091 108.482 -68.58 0.0000
14 C5 Cg 3 12 10 6 1.532 112.944 51.47 0.3790
15 H5E H1 E 14 12 10 1.090 110.447 -175.26 0.0000
16 H5A H1 E 14 12 10 1.091 110.923 64.60 0.0000
17 O5 Os E 14 12 10 1.479 108.551 -55.64 -0.5640
18 O4 Os E 12 10 6 1.437 110.197 173.67 -0.5080
19 O3 Os M 10 6 4 1.441 106.949 75.66 -0.5050
LOOP
O5 C1
DONE
WAB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.397 98.712 -136.08 0.3790
5 H1 H2 E 4 3 2 1.091 66.137 -93.73 0.0000
6 O5 Os M 4 3 2 1.466 132.905 172.33 -0.5290
7 C5 Cg M 6 4 3 1.485 114.414 139.79 0.3560
8 H5E H1 E 7 6 4 1.090 108.916 176.99 0.0000
9 H5A H1 E 7 6 4 1.091 109.188 -65.32 0.0000
10 C4 Cg M 7 6 4 1.546 110.184 56.30 0.2240
11 H4 H1 E 10 7 6 1.091 108.191 65.24 0.0000
12 O4 Os E 10 7 6 1.458 110.447 -177.16 -0.4840
13 C3 Cg M 10 7 6 1.551 111.087 -54.27 0.2970
14 H3 H1 E 13 10 7 1.091 109.244 175.99 0.0000
15 C2 Cg B 13 10 7 1.543 111.469 54.81 0.3000
16 H2 H1 E 15 13 10 1.091 109.979 -173.48 0.0000
17 O2 Oh S 15 13 10 1.460 108.027 68.57 -0.7000
18 H2O Ho E 17 15 13 0.965 107.206 -167.33 0.4180
19 O3 Os M 13 10 7 1.454 109.593 -65.87 -0.4550
LOOP
C2 C1
DONE
WBA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.626 99.556 -130.20 0.1300
5 C1 Cg 3 4 3 2 1.560 35.236 112.47 0.4280
6 H12 H1 E 5 4 3 1.091 110.098 -13.70 0.0000
7 H11 H1 E 5 4 3 1.090 109.813 104.72 0.0000
8 O1 Oh S 5 4 3 1.443 112.003 -134.19 -0.6780
9 H1O Ho E 8 5 4 0.961 107.457 73.22 0.3990
10 C3 Cg M 4 3 2 1.559 106.735 7.30 0.3720
11 H3 H1 E 10 4 3 1.092 108.445 98.55 0.0000
12 C4 Cg 3 10 4 3 1.548 110.877 -143.81 0.3350
13 H4 H1 E 12 10 4 1.092 109.910 62.48 0.0000
14 C5 Cg 3 12 10 4 1.550 109.394 -58.65 0.2240
15 H5 H1 E 14 12 10 1.091 109.416 -64.57 0.0000
16 C6 Cg 3 14 12 10 1.544 111.673 55.39 0.3410
17 H6E H1 E 16 14 12 1.090 110.000 -171.23 0.0000
18 H6A H1 E 16 14 12 1.091 110.069 70.07 0.0000
19 O6 Os E 16 14 12 1.491 111.103 -50.56 -0.5070
20 O5 Oh S 14 12 10 1.455 110.457 176.19 -0.6900
21 H5O Ho E 20 14 12 0.963 109.307 77.89 0.4290
22 O4 Os E 12 10 4 1.461 109.578 -178.37 -0.4970
23 O3 Os M 10 4 3 1.456 111.120 -18.72 -0.4800
LOOP
O6 C2
DONE
WBB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.404 98.269 -136.13 0.2270
5 C1 Cg 3 4 3 2 1.563 64.474 -94.95 0.2810
6 H12 H1 E 5 4 3 1.091 110.325 40.86 0.0000
7 H11 H1 E 5 4 3 1.090 110.121 159.57 0.0000
8 O1 Oh S 5 4 3 1.444 111.743 -80.01 -0.6260
9 H1O Ho E 8 5 4 0.960 109.452 179.75 0.3950
10 O6 Os M 4 3 2 1.482 134.628 169.57 -0.4770
11 C6 Cg M 10 4 3 1.485 116.916 144.77 0.3110
12 H6E H1 E 11 10 4 1.090 109.104 176.90 0.0000
13 H6A H1 E 11 10 4 1.091 109.162 -65.19 0.0000
14 C5 Cg M 11 10 4 1.543 109.751 56.11 0.3400
15 H5 H1 E 14 11 10 1.091 108.952 69.35 0.0000
16 O5 Oh S 14 11 10 1.444 108.793 -172.08 -0.7200
17 H5O Ho E 16 14 11 0.966 106.322 170.63 0.4290
18 C4 Cg M 14 11 10 1.545 112.662 -52.43 0.1080
19 H4 H1 E 18 14 11 1.092 109.257 -67.90 0.0000
20 O4 Os E 18 14 11 1.460 109.081 173.87 -0.4340
21 C3 Cg M 18 14 11 1.550 110.670 52.18 0.4640
22 H3 H1 E 21 18 14 1.092 108.385 68.01 0.0000
23 O3 Os M 21 18 14 1.453 108.659 -174.74 -0.4920
LOOP
C3 C2
DONE
WBD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.846 98.854 -131.45 0.2410
5 C1 Cg 3 4 3 2 1.546 4.633 -120.67 0.3130
6 H12 H1 E 5 4 3 1.090 110.325 114.28 0.0000
7 H11 H1 E 5 4 3 1.091 109.856 -126.60 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -6.24 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 -163.85 0.4140
10 C3 Cg M 4 3 2 1.641 111.508 16.65 0.4400
11 H3 H1 E 10 4 3 1.090 108.442 20.90 0.0000
12 C4 Cg 3 10 4 3 1.636 106.644 136.55 0.2250
13 H4 H1 E 12 10 4 1.091 108.604 98.33 0.0000
14 C5 Cg 3 12 10 4 1.626 107.413 -17.56 0.2710
15 H5 H1 E 14 12 10 1.091 108.621 126.81 0.0000
16 C6 Cg 3 14 12 10 1.543 115.360 -109.99 0.2810
17 H62 H1 E 16 14 12 1.091 109.980 67.38 0.0000
18 H61 H1 E 16 14 12 1.090 110.249 -51.87 0.0000
19 O6 Oh S 16 14 12 1.443 110.886 -171.63 -0.6790
20 H6O Ho E 19 16 14 0.959 110.164 69.40 0.4110
21 O5 Os E 14 12 10 1.587 104.732 10.45 -0.4520
22 O4 Os E 12 10 4 1.457 112.032 -142.43 -0.4690
23 O3 Os M 10 4 3 1.453 115.892 -99.73 -0.5220
LOOP
O5 C2
DONE
WBU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.546 98.671 -136.64 0.2470
5 C1 Cg 3 4 3 2 1.553 52.999 -106.31 0.2990
6 H12 H1 E 5 4 3 1.091 110.361 37.48 0.0000
7 H11 H1 E 5 4 3 1.091 109.538 156.30 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 -83.60 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 -172.60 0.3820
10 O5 Os M 4 3 2 1.568 142.358 -178.86 -0.3850
11 C5 Cg M 10 4 3 1.582 113.720 173.86 0.2100
12 H5 H1 E 11 10 4 1.091 108.799 -121.64 0.0000
13 C6 Cg 3 11 10 4 1.541 109.962 118.91 0.3320
14 H62 H1 E 13 11 10 1.090 110.302 -58.44 0.0000
15 H61 H1 E 13 11 10 1.090 109.861 -177.80 0.0000
16 O6 Oh S 13 11 10 1.442 110.695 62.46 -0.7010
17 H6O Ho E 16 13 11 0.959 110.169 52.94 0.4090
18 C4 Cg M 11 10 4 1.624 104.801 -5.21 0.2830
19 H4 H1 E 18 11 10 1.091 107.561 -105.82 0.0000
20 O4 Os E 18 11 10 1.453 112.691 135.08 -0.5150
21 C3 Cg M 18 11 10 1.637 107.577 11.31 0.3820
22 H3 H1 E 21 18 11 1.091 108.163 103.95 0.0000
23 O3 Os M 21 18 11 1.455 110.878 -138.10 -0.5100
LOOP
C3 C2
DONE
WCA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.591 99.421 -130.21 0.3450
5 C1 Cg 3 4 3 2 1.567 41.168 109.23 0.3860
6 H12 H1 E 5 4 3 1.091 109.446 -31.55 0.0000
7 H11 H1 E 5 4 3 1.091 110.132 86.62 0.0000
8 O1 Oh S 5 4 3 1.446 112.801 -152.28 -0.6960
9 H1O Ho E 8 5 4 0.968 106.626 39.29 0.4020
10 C3 Cg M 4 3 2 1.575 105.291 0.80 0.2470
11 H3 H1 E 10 4 3 1.092 108.668 -30.87 0.0000
12 C4 Cg 3 10 4 3 1.551 113.411 -152.18 0.3670
13 H4 H1 E 12 10 4 1.091 108.797 -167.01 0.0000
14 C5 Cg 3 12 10 4 1.544 112.343 -46.95 0.1950
15 H5 H1 E 14 12 10 1.091 108.612 -61.32 0.0000
16 C6 Cg 3 14 12 10 1.538 109.577 57.29 0.4370
17 H6E H1 E 16 14 12 1.090 109.936 -178.47 0.0000
18 H6A H1 E 16 14 12 1.091 110.981 62.19 0.0000
19 O6 Os E 16 14 12 1.483 109.646 -58.96 -0.6200
20 O5 Oh S 14 12 10 1.462 110.821 -179.28 -0.7090
21 H5O Ho E 20 14 12 0.964 110.741 154.55 0.4150
22 O4 Os E 12 10 4 1.450 110.082 76.05 -0.5200
23 O3 Os M 10 4 3 1.466 111.567 86.40 -0.4430
LOOP
O6 C2
DONE
WCB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.453 98.094 -136.06 0.2440
5 C1 Cg 3 4 3 2 1.563 63.216 -96.90 0.2970
6 H12 H1 E 5 4 3 1.091 110.065 46.56 0.0000
7 H11 H1 E 5 4 3 1.088 110.800 165.58 0.0000
8 O1 Oh S 5 4 3 1.447 111.733 -74.36 -0.6690
9 H1O Ho E 8 5 4 0.961 109.456 -178.60 0.4010
10 O6 Os M 4 3 2 1.480 134.325 169.15 -0.4600
11 C6 Cg M 10 4 3 1.482 117.080 144.78 0.3650
12 H6E H1 E 11 10 4 1.090 108.978 178.11 0.0000
13 H6A H1 E 11 10 4 1.091 109.532 -63.87 0.0000
14 C5 Cg M 11 10 4 1.539 109.460 57.67 0.1950
15 H5 H1 E 14 11 10 1.091 107.780 64.61 0.0000
16 O5 Oh S 14 11 10 1.457 110.279 -178.31 -0.6840
17 H5O Ho E 16 14 11 0.965 109.084 80.29 0.4150
18 C4 Cg M 14 11 10 1.549 112.024 -54.46 0.3440
19 H4 H1 E 18 14 11 1.091 108.628 172.57 0.0000
20 O4 Os E 18 14 11 1.459 109.986 -70.35 -0.4750
21 C3 Cg M 18 14 11 1.551 111.995 51.70 0.3170
22 H3 H1 E 21 18 14 1.091 109.680 -170.27 0.0000
23 O3 Os M 21 18 14 1.453 106.815 73.47 -0.4840
LOOP
C3 C2
DONE
WCD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.799 99.052 -131.26 0.2840
5 C1 Cg 3 4 3 2 1.556 9.626 -136.04 0.3700
6 H12 H1 E 5 4 3 1.091 109.651 88.60 0.0000
7 H11 H1 E 5 4 3 1.091 110.210 -152.55 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -31.57 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 49.38 0.4140
10 C3 Cg M 4 3 2 1.638 108.658 19.86 0.2820
11 H3 H1 E 10 4 3 1.091 111.006 -104.35 0.0000
12 C4 Cg 3 10 4 3 1.638 106.495 134.41 0.3320
13 H4 H1 E 12 10 4 1.091 111.116 -136.07 0.0000
14 C5 Cg 3 12 10 4 1.621 107.987 -13.87 0.3090
15 H5 H1 E 14 12 10 1.092 110.544 126.66 0.0000
16 C6 Cg 3 14 12 10 1.538 111.506 -110.78 0.2650
17 H62 H1 E 16 14 12 1.091 109.952 69.16 0.0000
18 H61 H1 E 16 14 12 1.090 109.956 -49.70 0.0000
19 O6 Oh S 16 14 12 1.442 111.246 -169.72 -0.6640
20 H6O Ho E 19 16 14 0.960 110.855 67.48 0.4120
21 O5 Os E 14 12 10 1.584 104.926 8.85 -0.4980
22 O4 Os E 12 10 4 1.453 108.919 105.00 -0.5340
23 O3 Os M 10 4 3 1.460 111.917 16.34 -0.4780
LOOP
O5 C2
DONE
WCU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.039 81.072 -137.59 0.2390
5 C1 Cg 3 4 3 2 1.537 69.500 -144.67 0.2870
6 H12 H1 E 5 4 3 1.091 110.638 29.87 0.0000
7 H11 H1 E 5 4 3 1.091 109.952 149.16 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 -91.14 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 -179.97 0.4010
10 O5 Os M 4 3 2 1.575 147.962 122.92 -0.4490
11 C5 Cg M 10 4 3 1.577 112.749 -165.42 0.3100
12 H5 H1 E 11 10 4 1.092 109.362 -121.32 0.0000
13 C6 Cg 3 11 10 4 1.529 108.415 119.08 0.2720
14 H62 H1 E 13 11 10 1.091 110.618 -56.09 0.0000
15 H61 H1 E 13 11 10 1.090 110.315 -176.31 0.0000
16 O6 Oh S 13 11 10 1.433 108.667 64.08 -0.6520
17 H6O Ho E 16 13 11 0.960 109.494 59.32 0.3970
18 C4 Cg M 11 10 4 1.622 105.503 -1.90 0.2930
19 H4 H1 E 18 11 10 1.092 112.170 133.69 0.0000
20 O4 Os E 18 11 10 1.434 107.738 -106.47 -0.5260
21 C3 Cg M 18 11 10 1.624 107.882 8.77 0.3330
22 H3 H1 E 21 18 11 1.091 112.343 -135.61 0.0000
23 O3 Os M 21 18 11 1.439 105.085 106.18 -0.4750
LOOP
C3 C2
DONE
WDA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.544 98.481 -135.71 0.3980
5 H1 H2 E 4 3 2 1.090 143.293 157.80 0.0000
6 C2 Cg M 4 3 2 1.559 100.528 13.66 0.2460
7 H2 H1 E 6 4 3 1.091 109.379 88.56 0.0000
8 O2 Oh S 6 4 3 1.458 109.515 -153.38 -0.6780
9 H2O Ho E 8 6 4 0.962 110.757 -69.34 0.4320
10 C3 Cg M 6 4 3 1.549 110.494 -31.75 0.1840
11 H3 H1 E 10 6 4 1.091 107.825 63.24 0.0000
12 C4 Cg 3 10 6 4 1.545 111.008 -55.58 0.3510
13 H4 H1 E 12 10 6 1.091 110.279 -64.03 0.0000
14 C5 Cg 3 12 10 6 1.543 110.247 57.45 0.2750
15 H5E H1 E 14 12 10 1.090 110.034 -173.80 0.0000
16 H5A H1 E 14 12 10 1.092 109.852 67.71 0.0000
17 O5 Os E 14 12 10 1.490 111.684 -52.70 -0.4870
18 O4 Os E 12 10 6 1.447 108.954 176.38 -0.4830
19 O3 Os M 10 6 4 1.459 111.377 -179.63 -0.4320
LOOP
O5 C1
DONE
WDB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.719 100.298 -130.46 0.4480
5 H1 H2 E 4 3 2 1.091 138.149 179.98 0.0000
6 O5 Os M 4 3 2 1.480 43.169 119.64 -0.5190
7 C5 Cg M 6 4 3 1.480 115.118 -158.52 0.2750
8 H5E H1 E 7 6 4 1.090 109.162 177.52 0.0000
9 H5A H1 E 7 6 4 1.092 108.688 -64.77 0.0000
10 C4 Cg M 7 6 4 1.539 110.071 56.42 0.3350
11 H4 H1 E 10 7 6 1.091 109.494 72.24 0.0000
12 O4 Os E 10 7 6 1.436 107.087 -169.38 -0.4670
13 C3 Cg M 10 7 6 1.543 111.797 -50.34 0.2010
14 H3 H1 E 13 10 7 1.092 109.081 -68.08 0.0000
15 C2 Cg B 13 10 7 1.543 112.432 51.79 0.2260
16 H2 H1 E 15 13 10 1.091 110.138 -175.60 0.0000
17 O2 Oh S 15 13 10 1.446 109.378 64.40 -0.6450
18 H2O Ho E 17 15 13 0.960 109.425 -178.57 0.4150
19 O3 Os M 13 10 7 1.440 109.833 173.78 -0.4630
LOOP
C2 C1
DONE
WEA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 O2 Oh S 6 4 3 1.437 106.903 53.10 -0.6900
9 H2O Ho E 8 6 4 0.960 109.486 -57.88 0.4470
10 C3 Cg M 6 4 3 1.541 114.896 172.06 0.3280
11 H3 H1 E 10 6 4 1.091 110.106 -167.45 0.0000
12 C4 Cg 3 10 6 4 1.544 111.809 -45.05 0.2610
13 H4 H1 E 12 10 6 1.091 108.188 -68.68 0.0000
14 C5 Cg 3 12 10 6 1.541 113.133 51.50 0.3740
15 H5 H1 E 14 12 10 1.092 109.237 63.30 0.0000
16 C6 Cg 3 14 12 10 1.535 114.012 -174.39 0.2590
17 H62 H1 E 16 14 12 1.090 110.525 -56.55 0.0000
18 H61 H1 E 16 14 12 1.091 110.727 63.66 0.0000
19 O6 Oh S 16 14 12 1.434 108.916 -175.95 -0.6630
20 H6O Ho E 19 16 14 0.960 109.470 59.69 0.4060
21 O5 Os E 14 12 10 1.485 107.816 -54.81 -0.5870
22 O4 Os E 12 10 6 1.439 109.304 174.29 -0.5000
23 O3 Os M 10 6 4 1.442 106.866 75.38 -0.4880
LOOP
O5 C1
DONE
WEB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Oh S 9 7 6 1.439 109.977 57.72 -0.6770
13 H6O Ho E 12 9 7 0.962 108.042 -50.79 0.4080
14 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
15 H4 H1 E 14 7 6 1.091 108.584 66.50 0.0000
16 O4 Os E 14 7 6 1.457 110.564 -175.67 -0.4980
17 C3 Cg M 14 7 6 1.554 111.196 -53.07 0.3150
18 H3 H1 E 17 14 7 1.091 109.198 176.72 0.0000
19 C2 Cg B 17 14 7 1.540 111.264 55.77 0.1840
20 H2 H1 E 19 17 14 1.091 109.856 -175.33 0.0000
21 O2 Oh S 19 17 14 1.463 107.825 66.95 -0.6970
22 H2O Ho E 21 19 17 0.966 108.305 -175.24 0.4320
23 O3 Os M 17 14 7 1.454 110.601 -64.53 -0.4720
LOOP
C2 C1
DONE
WFA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.482 98.666 -135.91 0.3990
5 H1 H2 E 4 3 2 1.090 143.009 167.64 0.0000
6 C2 Cg M 4 3 2 1.566 103.719 15.57 0.4560
7 H2 H1 E 6 4 3 1.091 107.661 -140.81 0.0000
8 O2 Oh S 6 4 3 1.463 112.192 101.91 -0.8040
9 H2O Ho E 8 6 4 0.961 108.560 155.60 0.4530
10 C3 Cg M 6 4 3 1.550 109.810 -22.26 0.2280
11 H3 H1 E 10 6 4 1.091 109.256 60.66 0.0000
12 C4 Cg 3 10 6 4 1.549 109.944 -58.35 0.2630
13 H4 H1 E 12 10 6 1.091 108.978 175.77 0.0000
14 C5 Cg 3 12 10 6 1.554 111.442 55.77 0.1870
15 H5 H1 E 14 12 10 1.091 107.126 67.59 0.0000
16 C6 Cg 3 14 12 10 1.531 115.122 -173.47 0.0650
17 H63 Hc E 16 14 12 1.090 111.280 -55.79 0.0000
18 H62 Hc E 16 14 12 1.091 111.136 -175.22 0.0000
19 H61 Hc E 16 14 12 1.091 112.013 64.74 0.0000
20 O5 Os E 14 12 10 1.495 111.650 -50.00 -0.4940
21 O4 Os E 12 10 6 1.452 109.204 -66.42 -0.4860
22 O3 Os M 10 6 4 1.464 112.278 179.81 -0.4610
LOOP
O5 C1
DONE
WFB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 27.023 80.980 -137.29 0.4180
5 H1 H2 E 4 3 2 1.091 89.699 -141.90 0.0000
6 O5 Os M 4 3 2 1.479 135.888 101.36 -0.4420
7 C5 Cg M 6 4 3 1.481 116.331 175.37 0.1060
8 H5 H1 E 7 6 4 1.092 108.301 -57.82 0.0000
9 C6 Cg 3 7 6 4 1.531 108.182 -173.94 0.0920
10 H63 Hc E 9 7 6 1.091 111.199 179.97 0.0000
11 H62 Hc E 9 7 6 1.091 112.070 -59.60 0.0000
12 H61 Hc E 9 7 6 1.091 111.160 60.55 0.0000
13 C4 Cg M 7 6 4 1.543 108.818 59.65 0.2290
14 H4 H1 E 13 7 6 1.091 109.875 -177.36 0.0000
15 O4 Os E 13 7 6 1.445 108.672 63.53 -0.4300
16 C3 Cg M 13 7 6 1.542 109.625 -56.43 0.2550
17 H3 H1 E 16 13 7 1.092 107.830 -66.01 0.0000
18 C2 Cg B 16 13 7 1.542 112.898 54.44 0.3460
19 H2 H1 E 18 16 13 1.092 109.972 72.13 0.0000
20 O2 Oh S 18 16 13 1.439 107.835 -168.68 -0.7650
21 H2O Ho E 20 18 16 0.960 109.418 -179.92 0.4400
22 O3 Os M 16 13 7 1.440 109.284 176.95 -0.4430
LOOP
C2 C1
DONE
WGA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 O2 Oh S 6 4 3 1.465 111.499 -41.43 -0.7130
9 H2O Ho E 8 6 4 0.967 109.170 -40.31 0.4370
10 C3 Cg M 6 4 3 1.543 111.424 -164.87 0.2860
11 H3 H1 E 10 6 4 1.092 109.239 69.49 0.0000
12 C4 Cg 3 10 6 4 1.547 112.114 -52.22 0.2540
13 H4 H1 E 12 10 6 1.092 109.454 -66.45 0.0000
14 C5 Cg 3 12 10 6 1.543 111.254 54.50 0.2830
15 H5 H1 E 14 12 10 1.092 108.261 65.38 0.0000
16 C6 Cg 3 14 12 10 1.546 112.538 -174.79 0.2760
17 H62 H1 E 16 14 12 1.090 110.682 -45.93 0.0000
18 H61 H1 E 16 14 12 1.091 110.014 73.31 0.0000
19 O6 Oh S 16 14 12 1.444 110.823 -165.78 -0.6820
20 H6O Ho E 19 16 14 0.960 109.735 78.35 0.4180
21 O5 Os E 14 12 10 1.500 109.539 -52.54 -0.5740
22 O4 Os E 12 10 6 1.451 108.956 174.69 -0.4680
23 O3 Os M 10 6 4 1.452 108.531 -172.18 -0.4660
LOOP
O5 C1
DONE
WGB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Oh S 9 7 6 1.440 109.810 57.27 -0.6880
13 H6O Ho E 12 9 7 0.962 108.265 -53.10 0.4240
14 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
15 H4 H1 E 14 7 6 1.092 109.352 66.92 0.0000
16 O4 Os E 14 7 6 1.448 108.899 -174.36 -0.4680
17 C3 Cg M 14 7 6 1.548 111.306 -54.04 0.2840
18 H3 H1 E 17 14 7 1.092 109.104 -67.30 0.0000
19 C2 Cg B 17 14 7 1.545 112.113 53.55 0.3100
20 H2 H1 E 19 17 14 1.092 109.394 68.33 0.0000
21 O2 Oh S 19 17 14 1.458 108.975 -172.91 -0.7180
22 H2O Ho E 21 19 17 0.966 108.053 175.61 0.4370
23 O3 Os M 17 14 7 1.454 108.817 174.47 -0.4710
LOOP
C2 C1
DONE
WHA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.582 98.678 -136.05 0.3940
5 H1 H2 E 4 3 2 1.090 147.150 175.74 0.0000
6 C2 Cg M 4 3 2 1.554 100.578 20.48 0.2480
7 H2 H1 E 6 4 3 1.091 109.542 95.73 0.0000
8 O2 Oh S 6 4 3 1.456 109.547 -146.01 -0.6700
9 H2O Ho E 8 6 4 0.965 106.818 171.13 0.4210
10 C3 Cg M 6 4 3 1.545 110.654 -24.92 0.2360
11 H3 H1 E 10 6 4 1.092 108.370 66.81 0.0000
12 C4 Cg 3 10 6 4 1.545 112.380 -53.49 0.1870
13 H4 H1 E 12 10 6 1.091 109.690 -65.16 0.0000
14 C5 Cg 3 12 10 6 1.549 110.317 55.89 0.2790
15 H5 H1 E 14 12 10 1.092 108.902 66.22 0.0000
16 C6 Cg 3 14 12 10 1.530 113.869 -172.74 0.0230
17 H63 Hc E 16 14 12 1.090 111.509 -61.06 0.0000
18 H62 Hc E 16 14 12 1.091 111.314 179.43 0.0000
19 H61 Hc E 16 14 12 1.091 111.668 59.25 0.0000
20 O5 Os E 14 12 10 1.486 110.695 -52.49 -0.4610
21 O4 Os E 12 10 6 1.456 108.727 175.97 -0.4330
22 O3 Os M 10 6 4 1.452 109.719 -175.81 -0.4180
LOOP
O5 C1
DONE
WHB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 29.347 69.123 -148.90 0.3810
5 H1 H2 E 4 3 2 1.091 126.377 48.27 0.0000
6 O5 Os M 4 3 2 1.479 92.197 -66.81 -0.4270
7 C5 Cg M 6 4 3 1.483 115.750 -171.42 0.1720
8 H5 H1 E 7 6 4 1.092 107.917 -63.31 0.0000
9 C6M Cg 3 7 6 4 1.530 107.056 -179.94 0.0390
10 H1M Hc E 9 7 6 1.091 111.297 57.52 0.0000
11 H2M Hc E 9 7 6 1.091 111.709 -62.68 0.0000
12 H3M Hc E 9 7 6 1.091 111.441 177.01 0.0000
13 C4 Cg M 7 6 4 1.547 109.717 55.61 0.3880
14 H4 H1 E 13 7 6 1.092 109.750 73.54 0.0000
15 O4 Os E 13 7 6 1.438 107.632 -167.68 -0.4900
16 C3 Cg M 13 7 6 1.543 112.131 -48.94 0.1820
17 H3 H1 E 16 13 7 1.092 109.049 -68.66 0.0000
18 C2 Cg B 16 13 7 1.542 112.684 51.25 0.2430
19 H2 H1 E 18 16 13 1.091 110.140 -175.78 0.0000
20 O2 Oh S 18 16 13 1.446 109.350 64.20 -0.6730
21 H2O Ho E 20 18 16 0.960 109.408 59.77 0.4320
22 O3 Os M 16 13 7 1.440 109.818 173.25 -0.4410
LOOP
C2 C1
DONE
WJA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 22.611 99.408 -130.23 0.1140
5 C1 Cg 3 4 3 2 1.562 33.359 109.85 0.4100
6 H12 H1 E 5 4 3 1.091 109.780 -32.30 0.0000
7 H11 H1 E 5 4 3 1.091 110.432 86.63 0.0000
8 O1 Oh S 5 4 3 1.437 111.258 -152.64 -0.6560
9 H1O Ho E 8 5 4 0.970 105.489 31.79 0.4050
10 C3 Cg M 4 3 2 1.561 108.078 4.40 0.2710
11 H3 H1 E 10 4 3 1.091 109.484 -29.48 0.0000
12 C4 Cg 3 10 4 3 1.550 111.054 -149.95 0.2810
13 H4 H1 E 12 10 4 1.091 108.892 64.55 0.0000
14 C5 Cg 3 12 10 4 1.547 111.417 -55.51 0.2730
15 H5 H1 E 14 12 10 1.091 109.946 -64.34 0.0000
16 C6 Cg 3 14 12 10 1.541 110.532 56.44 0.3680
17 H6E H1 E 16 14 12 1.090 110.023 -172.59 0.0000
18 H6A H1 E 16 14 12 1.091 109.951 68.78 0.0000
19 O6 Os E 16 14 12 1.489 111.422 -51.66 -0.5040
20 O5 Oh S 14 12 10 1.453 109.662 176.22 -0.6990
21 H5O Ho E 20 14 12 0.965 108.090 56.66 0.4190
22 O4 Os E 12 10 4 1.460 109.496 -177.99 -0.4530
23 O3 Os M 10 4 3 1.458 110.234 89.20 -0.4230
LOOP
O6 C2
DONE
WJB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.338 98.495 -136.31 0.4130
5 C1 Cg 3 4 3 2 1.565 68.430 -90.76 0.2800
6 H12 H1 E 5 4 3 1.091 109.821 33.19 0.0000
7 H11 H1 E 5 4 3 1.089 110.419 151.32 0.0000
8 O1 Oh S 5 4 3 1.444 112.820 -88.26 -0.7220
9 H1O Ho E 8 5 4 0.965 107.671 41.74 0.4320
10 O6 Os M 4 3 2 1.484 136.913 168.93 -0.5510
11 C6 Cg M 10 4 3 1.484 117.065 151.25 0.2920
12 H6E H1 E 11 10 4 1.090 109.046 175.12 0.0000
13 H6A H1 E 11 10 4 1.091 108.728 -67.49 0.0000
14 C5 Cg M 11 10 4 1.547 111.063 53.76 0.3740
15 H5 H1 E 14 11 10 1.091 108.987 71.66 0.0000
16 O5 Oh S 14 11 10 1.455 109.300 -169.66 -0.7290
17 H5O Ho E 16 14 11 0.962 111.074 52.54 0.4260
18 C4 Cg M 14 11 10 1.550 111.895 -49.63 0.1550
19 H4 H1 E 18 14 11 1.090 108.402 -67.51 0.0000
20 O4 Os E 18 14 11 1.459 110.935 175.25 -0.4400
21 C3 Cg M 18 14 11 1.551 111.966 52.01 0.3630
22 H3 H1 E 21 18 14 1.091 109.562 -175.27 0.0000
23 O3 Os M 21 18 14 1.461 107.359 67.28 -0.4870
LOOP
C3 C2
DONE
WJD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 21.810 99.053 -131.41 0.1920
5 C1 Cg 3 4 3 2 1.554 10.224 -140.48 0.3890
6 H12 H1 E 5 4 3 1.091 109.769 84.88 0.0000
7 H11 H1 E 5 4 3 1.091 110.219 -156.13 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -35.41 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 50.29 0.3800
10 C3 Cg M 4 3 2 1.637 108.016 16.20 0.3930
11 H3 H1 E 10 4 3 1.091 112.376 -99.86 0.0000
12 C4 Cg 3 10 4 3 1.642 105.965 138.66 0.2330
13 H4 H1 E 12 10 4 1.090 107.367 95.04 0.0000
14 C5 Cg 3 12 10 4 1.625 107.375 -19.81 0.1900
15 H5 H1 E 14 12 10 1.091 108.940 130.16 0.0000
16 C6 Cg 3 14 12 10 1.542 114.908 -106.54 0.3400
17 H62 H1 E 16 14 12 1.090 110.250 66.65 0.0000
18 H61 H1 E 16 14 12 1.090 110.186 -52.85 0.0000
19 O6 Oh S 16 14 12 1.441 110.517 -172.30 -0.7250
20 H6O Ho E 19 16 14 0.959 110.296 58.30 0.4250
21 O5 Os E 14 12 10 1.585 104.597 13.44 -0.4100
22 O4 Os E 12 10 4 1.458 113.311 -146.22 -0.4510
23 O3 Os M 10 4 3 1.455 110.333 22.08 -0.4960
LOOP
O5 C2
DONE
WJU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.700 98.531 -136.52 0.3510
5 C1 Cg 3 4 3 2 1.554 50.342 -105.76 0.3330
6 H12 H1 E 5 4 3 1.090 110.121 39.98 0.0000
7 H11 H1 E 5 4 3 1.090 109.574 158.57 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 -81.07 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 -173.81 0.4150
10 O5 Os M 4 3 2 1.569 141.794 -176.42 -0.3890
11 C5 Cg M 10 4 3 1.585 113.364 166.72 0.1000
12 H5 H1 E 11 10 4 1.089 109.200 -122.53 0.0000
13 C6 Cg 3 11 10 4 1.537 108.498 118.12 0.3490
14 H62 H1 E 13 11 10 1.089 110.316 -54.99 0.0000
15 H61 H1 E 13 11 10 1.090 111.054 -175.70 0.0000
16 O6 Oh S 13 11 10 1.435 108.026 64.54 -0.6840
17 H6O Ho E 16 13 11 0.962 107.568 -44.32 0.4110
18 C4 Cg M 11 10 4 1.619 104.895 -5.59 0.2840
19 H4 H1 E 18 11 10 1.091 107.554 -103.32 0.0000
20 O4 Os E 18 11 10 1.442 113.035 137.27 -0.4410
21 C3 Cg M 18 11 10 1.639 107.844 12.75 0.2230
22 H3 H1 E 21 18 11 1.090 110.597 -136.61 0.0000
23 O3 Os M 21 18 11 1.460 109.186 103.85 -0.4490
LOOP
C3 C2
DONE
WKA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 O2 Oh S 6 4 3 1.439 110.808 -54.40 -0.7160
9 H2O Ho E 8 6 4 0.960 109.409 -63.57 0.4270
10 C3 Cg M 6 4 3 1.544 115.219 178.76 0.3540
11 H3 H1 E 10 6 4 1.091 109.846 -171.16 0.0000
12 C4 Cg 3 10 6 4 1.541 111.196 -48.97 0.1960
13 H4 H1 E 12 10 6 1.091 109.723 170.85 0.0000
14 C5 Cg 3 12 10 6 1.549 113.058 48.50 0.3010
15 H5 H1 E 14 12 10 1.092 107.347 66.38 0.0000
16 C6 Cg 3 14 12 10 1.535 114.885 -173.99 0.2870
17 H62 H1 E 16 14 12 1.090 110.246 -52.70 0.0000
18 H61 H1 E 16 14 12 1.091 110.887 67.51 0.0000
19 O6 Oh S 16 14 12 1.434 108.908 -172.15 -0.6910
20 H6O Ho E 19 16 14 0.960 109.471 59.53 0.4220
21 O5 Os E 14 12 10 1.489 109.902 -50.90 -0.5400
22 O4 Os E 12 10 6 1.440 107.338 -72.13 -0.4860
23 O3 Os M 10 6 4 1.440 110.218 69.79 -0.5020
LOOP
O5 C1
DONE
WKB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Oh S 9 7 6 1.441 110.162 62.18 -0.6700
13 H6O Ho E 12 9 7 0.962 108.273 -57.74 0.4160
14 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
15 H4 H1 E 14 7 6 1.091 108.867 -172.31 0.0000
16 O4 Os E 14 7 6 1.455 110.952 69.39 -0.4690
17 C3 Cg M 14 7 6 1.545 111.117 -51.77 0.2530
18 H3 H1 E 17 14 7 1.091 109.391 173.95 0.0000
19 C2 Cg B 17 14 7 1.547 111.988 52.75 0.3080
20 H2 H1 E 19 17 14 1.091 108.509 65.85 0.0000
21 O2 Oh S 19 17 14 1.462 109.337 -176.76 -0.7100
22 H2O Ho E 21 19 17 0.965 108.091 178.76 0.4260
23 O3 Os M 17 14 7 1.452 107.992 -68.85 -0.4620
LOOP
C2 C1
DONE
WLA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 O2 Oh S 6 4 3 1.440 109.403 -55.56 -0.7240
9 H2O Ho E 8 6 4 0.960 109.415 -61.40 0.4310
10 C3 Cg M 6 4 3 1.541 112.432 -178.15 0.2530
11 H3 H1 E 10 6 4 1.091 109.206 67.02 0.0000
12 C4 Cg 3 10 6 4 1.544 111.714 -53.08 0.2040
13 H4 H1 E 12 10 6 1.091 109.766 175.51 0.0000
14 C5 Cg 3 12 10 6 1.544 110.422 54.48 0.2160
15 H5 H1 E 14 12 10 1.092 107.514 62.91 0.0000
16 C6 Cg 3 14 12 10 1.535 114.934 -177.18 0.3080
17 H62 H1 E 16 14 12 1.090 110.251 -53.15 0.0000
18 H61 H1 E 16 14 12 1.091 110.918 67.08 0.0000
19 O6 Oh S 16 14 12 1.434 108.858 -172.60 -0.6840
20 H6O Ho E 19 16 14 0.960 109.466 59.52 0.4180
21 O5 Os E 14 12 10 1.490 109.289 -54.45 -0.5270
22 O4 Os E 12 10 6 1.445 109.785 -64.95 -0.4310
23 O3 Os M 10 6 4 1.440 110.035 -174.48 -0.4620
LOOP
O5 C1
DONE
WLB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Oh S 9 7 6 1.437 109.027 63.12 -0.6930
13 H6O Ho E 12 9 7 0.961 107.830 -58.33 0.4190
14 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
15 H4 H1 E 14 7 6 1.091 109.333 -173.92 0.0000
16 O4 Os E 14 7 6 1.449 109.628 67.34 -0.4210
17 C3 Cg M 14 7 6 1.546 110.517 -53.62 0.2590
18 H3 H1 E 17 14 7 1.092 108.098 -64.81 0.0000
19 C2 Cg B 17 14 7 1.547 112.254 55.04 0.3570
20 H2 H1 E 19 17 14 1.092 109.716 67.43 0.0000
21 O2 Oh S 19 17 14 1.459 108.705 -173.71 -0.7260
22 H2O Ho E 21 19 17 0.965 107.724 175.67 0.4320
23 O3 Os M 17 14 7 1.455 109.126 178.29 -0.4550
LOOP
C2 C1
DONE
WMA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 O2 Oh S 6 4 3 1.459 110.007 79.71 -0.7170
9 H2O Ho E 8 6 4 0.965 108.621 167.29 0.4460
10 C3 Cg M 6 4 3 1.545 110.571 -158.93 0.2520
11 H3 H1 E 10 6 4 1.092 108.528 64.93 0.0000
12 C4 Cg 3 10 6 4 1.549 111.609 -54.79 0.3260
13 H4 H1 E 12 10 6 1.091 109.865 -64.38 0.0000
14 C5 Cg 3 12 10 6 1.546 110.605 57.15 0.2760
15 H5 H1 E 14 12 10 1.092 108.214 65.71 0.0000
16 C6 Cg 3 14 12 10 1.544 112.153 -174.59 0.2660
17 H62 H1 E 16 14 12 1.090 110.579 -46.84 0.0000
18 H61 H1 E 16 14 12 1.091 110.051 72.33 0.0000
19 O6 Oh S 16 14 12 1.444 110.952 -166.67 -0.6880
20 H6O Ho E 19 16 14 0.960 109.923 72.72 0.4220
21 O5 Os E 14 12 10 1.497 110.394 -52.31 -0.5070
22 O4 Os E 12 10 6 1.452 108.734 176.59 -0.4890
23 O3 Os M 10 6 4 1.461 109.595 -177.93 -0.4590
LOOP
O5 C1
DONE
WMB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Oh S 9 7 6 1.439 109.850 57.44 -0.6800
13 H6O Ho E 12 9 7 0.962 108.414 -55.86 0.4190
14 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
15 H4 H1 E 14 7 6 1.091 109.789 70.94 0.0000
16 O4 Os E 14 7 6 1.452 108.352 -170.58 -0.4970
17 C3 Cg M 14 7 6 1.553 110.419 -50.51 0.2630
18 H3 H1 E 17 14 7 1.092 108.588 -60.79 0.0000
19 C2 Cg B 17 14 7 1.547 110.623 57.43 0.2410
20 H2 H1 E 19 17 14 1.091 110.076 180.00 0.0000
21 O2 Oh S 19 17 14 1.459 110.769 59.28 -0.6640
22 H2O Ho E 21 19 17 0.964 107.524 -173.81 0.4310
23 O3 Os M 17 14 7 1.457 111.995 -178.50 -0.4560
LOOP
C2 C1
DONE
WNA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 O2 Oh S 6 4 3 1.439 110.664 -54.19 -0.6680
9 H2O Ho E 8 6 4 0.960 109.386 -64.68 0.4150
10 C3 Cg M 6 4 3 1.541 114.996 179.46 0.3300
11 H3 H1 E 10 6 4 1.091 109.966 -173.17 0.0000
12 C4 Cg 3 10 6 4 1.543 108.602 -52.73 0.1670
13 H4 H1 E 12 10 6 1.091 108.011 -66.83 0.0000
14 C5 Cg 3 12 10 6 1.545 113.659 53.52 0.4040
15 H5 H1 E 14 12 10 1.092 109.059 65.09 0.0000
16 C6 Cg 3 14 12 10 1.535 113.747 -172.97 0.2800
17 H62 H1 E 16 14 12 1.090 110.540 -56.41 0.0000
18 H61 H1 E 16 14 12 1.091 110.668 63.75 0.0000
19 O6 Oh S 16 14 12 1.434 109.011 -175.88 -0.6630
20 H6O Ho E 19 16 14 0.960 109.493 59.88 0.3960
21 O5 Os E 14 12 10 1.489 108.589 -53.11 -0.6110
22 O4 Os E 12 10 6 1.439 109.206 176.30 -0.4830
23 O3 Os M 10 6 4 1.445 109.604 67.22 -0.4670
LOOP
O5 C1
DONE
WNB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Oh S 9 7 6 1.438 109.178 57.79 -0.6890
13 H6O Ho E 12 9 7 0.962 107.694 -47.58 0.4180
14 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
15 H4 H1 E 14 7 6 1.091 108.641 63.49 0.0000
16 O4 Os E 14 7 6 1.447 110.674 -178.31 -0.4710
17 C3 Cg M 14 7 6 1.546 111.303 -56.16 0.2340
18 H3 H1 E 17 14 7 1.092 109.685 177.82 0.0000
19 C2 Cg B 17 14 7 1.544 109.920 57.50 0.3010
20 H2 H1 E 19 17 14 1.093 108.226 64.66 0.0000
21 O2 Oh S 19 17 14 1.458 109.185 -178.16 -0.7030
22 H2O Ho E 21 19 17 0.966 108.382 -178.62 0.4240
23 O3 Os M 17 14 7 1.458 109.719 -63.09 -0.4200
LOOP
C2 C1
DONE
WOA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.395 99.023 -130.46 0.3050
5 H1 H2 E 4 3 2 1.090 24.072 100.29 0.0000
6 C2 Cg M 4 3 2 1.563 111.265 10.63 0.4130
7 H2 H1 E 6 4 3 1.091 108.988 73.46 0.0000
8 O2 Oh S 6 4 3 1.464 109.237 -44.39 -0.7710
9 H2O Ho E 8 6 4 0.966 105.614 -34.97 0.4310
10 C3 Cg M 6 4 3 1.548 110.939 -166.09 0.2510
11 H3 H1 E 10 6 4 1.092 108.206 62.18 0.0000
12 C4 Cg 3 10 6 4 1.551 110.284 -55.76 0.2670
13 H4 H1 E 12 10 6 1.091 109.469 -178.62 0.0000
14 C5 Cg 3 12 10 6 1.540 109.735 61.11 0.0540
15 H5 H1 E 14 12 10 1.092 108.800 60.69 0.0000
16 C6 C B 14 12 10 1.566 106.527 176.50 0.8960
17 O6A O2 E 16 14 12 1.252 116.529 -102.85 -0.8220
18 O6B O2 E 16 14 12 1.255 117.285 72.11 -0.8220
19 O5 Os E 14 12 10 1.515 109.060 -56.67 -0.4240
20 O4 Os E 12 10 6 1.455 111.597 -58.02 -0.4690
21 O3 Os M 10 6 4 1.460 111.666 179.27 -0.5030
LOOP
O5 C1
DONE
WOB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.376 98.399 -136.27 0.3010
5 H1 H2 E 4 3 2 1.091 69.069 -92.25 0.0000
6 O5 Os M 4 3 2 1.462 130.396 170.60 -0.4140
7 C5 Cg M 6 4 3 1.506 116.408 147.12 0.0490
8 H5 H1 E 7 6 4 1.092 106.456 -59.37 0.0000
9 C6 C B 7 6 4 1.574 118.473 -176.63 0.8380
10 O6B O2 E 9 7 6 1.256 116.247 -176.00 -0.7940
11 O6A O2 E 9 7 6 1.254 118.706 9.49 -0.7940
12 C4 Cg M 7 6 4 1.538 109.239 56.00 0.2600
13 H4 H1 E 12 7 6 1.091 109.884 -175.27 0.0000
14 O4 Os E 12 7 6 1.450 109.662 65.53 -0.4530
15 C3 Cg M 12 7 6 1.548 110.856 -55.41 0.2590
16 H3 H1 E 15 12 7 1.092 108.063 -63.15 0.0000
17 C2 Cg B 15 12 7 1.553 111.733 55.81 0.3830
18 H2 H1 E 17 15 12 1.091 109.497 69.57 0.0000
19 O2 Oh S 17 15 12 1.460 110.302 -170.66 -0.7320
20 H2O Ho E 19 17 15 0.962 106.473 175.50 0.4010
21 O3 Os M 15 12 7 1.466 108.667 -179.51 -0.4980
LOOP
C2 C1
DONE
WPA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 25.577 79.066 -133.43 0.4170
5 C1 Cg 3 4 3 2 1.541 26.010 100.53 0.3270
6 H12 H1 E 5 4 3 1.091 110.581 1.25 0.0000
7 H11 H1 E 5 4 3 1.091 110.426 120.84 0.0000
8 O1 Oh S 5 4 3 1.436 110.176 -119.10 -0.6440
9 H1O Ho E 8 5 4 0.960 109.427 60.11 0.3930
10 C3 Cg M 4 3 2 1.558 99.850 -27.83 0.1500
11 H3 H1 E 10 4 3 1.091 107.175 74.35 0.0000
12 C4 Cg 3 10 4 3 1.543 115.259 -167.84 0.3940
13 H4 H1 E 12 10 4 1.091 110.047 -172.55 0.0000
14 C5 Cg 3 12 10 4 1.541 108.511 -52.13 0.1530
15 H5 H1 E 14 12 10 1.091 108.437 -65.69 0.0000
16 C6 Cg 3 14 12 10 1.536 113.177 54.52 0.3930
17 H6E H1 E 16 14 12 1.090 110.388 -174.85 0.0000
18 H6A H1 E 16 14 12 1.091 110.767 65.28 0.0000
19 O6 Os E 16 14 12 1.482 109.077 -55.00 -0.5980
20 O5 Oh S 14 12 10 1.437 110.081 176.63 -0.6930
21 H5O Ho E 20 14 12 0.960 109.495 56.94 0.4280
22 O4 Os E 12 10 4 1.445 109.700 67.72 -0.4640
23 O3 Os M 10 4 3 1.441 111.232 -41.58 -0.4500
LOOP
O6 C2
DONE
WPB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 23.410 98.300 -136.21 0.4070
5 C1 Cg 3 4 3 2 1.572 62.826 -96.98 0.3790
6 H12 H1 E 5 4 3 1.091 110.003 43.55 0.0000
7 H11 H1 E 5 4 3 1.088 110.382 162.11 0.0000
8 O1 Oh S 5 4 3 1.452 112.720 -77.60 -0.7200
9 H1O Ho E 8 5 4 0.961 109.403 -178.93 0.4100
10 O6 Os M 4 3 2 1.479 135.293 168.58 -0.5400
11 C6 Cg M 10 4 3 1.483 117.190 146.77 0.3640
12 H6E H1 E 11 10 4 1.090 109.004 179.12 0.0000
13 H6A H1 E 11 10 4 1.091 109.618 -62.69 0.0000
14 C5 Cg M 11 10 4 1.540 108.996 58.93 0.1880
15 H5 H1 E 14 11 10 1.091 108.080 63.62 0.0000
16 O5 Oh S 14 11 10 1.454 110.659 -178.62 -0.7050
17 H5O Ho E 16 14 11 0.967 108.400 85.69 0.4330
18 C4 Cg M 14 11 10 1.546 111.137 -55.37 0.3280
19 H4 H1 E 18 14 11 1.091 109.097 173.70 0.0000
20 O4 Os E 18 14 11 1.453 109.563 -68.11 -0.4650
21 C3 Cg M 18 14 11 1.548 111.648 53.12 0.1800
22 H3 H1 E 21 18 14 1.092 106.115 68.15 0.0000
23 O3 Os M 21 18 14 1.462 110.163 -176.47 -0.4530
LOOP
C3 C2
DONE
WPD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 24.923 79.756 -134.43 0.3240
5 C1 Cg 3 4 3 2 1.533 28.030 -160.44 0.2860
6 H12 H1 E 5 4 3 1.091 110.436 100.46 0.0000
7 H11 H1 E 5 4 3 1.091 110.553 -139.51 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 -19.62 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 179.30 0.4190
10 C3 Cg M 4 3 2 1.632 94.644 -17.33 0.3340
11 H3 H1 E 10 4 3 1.090 107.716 7.04 0.0000
12 C4 Cg 3 10 4 3 1.629 107.129 121.35 0.2820
13 H4 H1 E 12 10 4 1.091 111.828 -141.87 0.0000
14 C5 Cg 3 12 10 4 1.626 106.867 -18.01 0.1940
15 H5 H1 E 14 12 10 1.092 111.109 129.12 0.0000
16 C6 Cg 3 14 12 10 1.529 112.801 -107.47 0.2910
17 H62 H1 E 16 14 12 1.091 110.695 60.83 0.0000
18 H61 H1 E 16 14 12 1.090 110.281 -59.44 0.0000
19 O6 Oh S 16 14 12 1.433 108.604 -178.96 -0.6950
20 H6O Ho E 19 16 14 0.960 109.454 59.02 0.4110
21 O5 Os E 14 12 10 1.580 105.532 10.85 -0.4530
22 O4 Os E 12 10 4 1.437 109.593 96.29 -0.4560
23 O3 Os M 10 4 3 1.441 114.290 -111.78 -0.4400
LOOP
O5 C2
DONE
WPU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 27.018 81.512 -137.61 0.2880
5 C1 Cg 3 4 3 2 1.541 66.606 -151.42 0.3650
6 H12 H1 E 5 4 3 1.091 110.660 23.30 0.0000
7 H11 H1 E 5 4 3 1.090 109.918 142.71 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 -97.59 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 179.45 0.4180
10 O5 Os M 4 3 2 1.576 153.289 123.56 -0.4800
11 C5 Cg M 10 4 3 1.576 112.884 -156.65 0.3690
12 H5 H1 E 11 10 4 1.092 109.275 -128.49 0.0000
13 C6 Cg 3 11 10 4 1.529 108.414 112.31 0.2150
14 H62 H1 E 13 11 10 1.091 110.659 -56.54 0.0000
15 H61 H1 E 13 11 10 1.090 110.301 -176.80 0.0000
16 O6 Oh S 13 11 10 1.433 108.649 63.62 -0.6780
17 H6O Ho E 16 13 11 0.960 109.500 58.51 0.4210
18 C4 Cg M 11 10 4 1.623 105.494 -8.76 0.1920
19 H4 H1 E 18 11 10 1.091 112.074 133.66 0.0000
20 O4 Os E 18 11 10 1.438 106.122 -107.17 -0.4670
21 C3 Cg M 18 11 10 1.631 107.338 11.41 0.3340
22 H3 H1 E 21 18 11 1.091 107.070 107.51 0.0000
23 O3 Os M 21 18 11 1.441 112.809 -134.73 -0.4840
LOOP
C3 C2
DONE
WQA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.541 98.563 -135.84 0.4650
5 H1 H1 E 4 3 2 1.090 143.841 166.97 0.0000
6 C2 Cg M 4 3 2 1.556 100.905 19.24 0.2810
7 H2 H1 E 6 4 3 1.091 107.701 -146.56 0.0000
8 O2 Oh S 6 4 3 1.464 109.956 96.40 -0.6950
9 H2O Ho E 8 6 4 0.963 109.360 -58.41 0.4220
10 C3 Cg M 6 4 3 1.550 110.755 -28.22 0.3120
11 H3 H1 E 10 6 4 1.092 109.248 69.54 0.0000
12 C4 Cg 3 10 6 4 1.550 112.115 -52.01 0.2080
13 H4 H1 E 12 10 6 1.092 109.113 -67.92 0.0000
14 C5 Cg 3 12 10 6 1.546 111.848 52.85 0.2340
15 H5 H1 E 14 12 10 1.092 108.966 67.39 0.0000
16 C6 Cg 3 14 12 10 1.531 114.081 -171.50 0.0600
17 H63 Hc E 16 14 12 1.091 111.703 58.97 0.0000
18 H62 Hc E 16 14 12 1.091 111.508 -61.39 0.0000
19 H61 Hc E 16 14 12 1.091 111.279 179.14 0.0000
20 O5 Os E 14 12 10 1.487 110.112 -51.22 -0.5590
21 O4 Os E 12 10 6 1.456 109.169 173.44 -0.4550
22 O3 Os M 10 6 4 1.451 110.060 -171.22 -0.4670
LOOP
O5 C1
DONE
WQB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.690 -136.00 0.3910
5 H1 H1 E 4 3 2 1.091 73.758 -94.90 0.0000
6 O5 Os M 4 3 2 1.461 131.794 163.13 -0.5350
7 C5 Cg M 6 4 3 1.486 115.375 148.89 0.2710
8 H5 H1 E 7 6 4 1.092 108.323 -60.93 0.0000
9 C6 Cg 3 7 6 4 1.530 107.192 -177.83 0.0480
10 H63 Hc E 9 7 6 1.091 111.710 -62.84 0.0000
11 H62 Hc E 9 7 6 1.091 111.509 176.79 0.0000
12 H61 Hc E 9 7 6 1.091 111.262 57.32 0.0000
13 C4 Cg M 7 6 4 1.548 109.336 58.05 0.2500
14 H4 H1 E 13 7 6 1.092 109.232 68.58 0.0000
15 O4 Os E 13 7 6 1.451 108.892 -172.72 -0.4860
16 C3 Cg M 13 7 6 1.549 111.410 -52.29 0.3000
17 H3 H1 E 16 13 7 1.092 108.988 -68.86 0.0000
18 C2 Cg B 16 13 7 1.546 112.577 52.00 0.3230
19 H2 H1 E 18 16 13 1.092 109.469 68.14 0.0000
20 O2 Oh S 18 16 13 1.460 109.130 -172.95 -0.7130
21 H2O Ho E 20 18 16 0.966 107.987 174.66 0.4200
22 O3 Os M 16 13 7 1.454 108.773 173.08 -0.4630
LOOP
C2 C1
DONE
WRA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.589 79.139 -133.47 0.4880
5 H1 H2 E 4 3 2 1.090 27.374 95.92 0.0000
6 C2 Cg M 4 3 2 1.547 95.699 -25.09 0.2530
7 H2 H1 E 6 4 3 1.091 106.529 74.90 0.0000
8 O2 Oh S 6 4 3 1.439 110.676 -40.46 -0.7110
9 H2O Ho E 8 6 4 0.960 109.367 -64.82 0.4190
10 C3 Cg M 6 4 3 1.542 115.155 -166.91 0.3450
11 H3 H1 E 10 6 4 1.091 110.101 -172.87 0.0000
12 C4 Cg 3 10 6 4 1.542 108.334 -52.41 0.1220
13 H4 H1 E 12 10 6 1.091 108.377 -66.41 0.0000
14 C5 Cg 3 12 10 6 1.537 113.340 53.79 0.3770
15 H5E H1 E 14 12 10 1.090 110.366 -174.24 0.0000
16 H5A H1 E 14 12 10 1.091 110.701 65.98 0.0000
17 O5 Os E 14 12 10 1.483 109.246 -54.31 -0.5610
18 O4 Os E 12 10 6 1.437 110.093 175.95 -0.4380
19 O3 Os M 10 6 4 1.445 109.646 67.35 -0.4880
LOOP
O5 C1
DONE
WRB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.373 98.520 -136.09 0.4810
5 H1 H2 E 4 3 2 1.090 64.264 -93.14 0.0000
6 O5 Os M 4 3 2 1.470 130.910 172.20 -0.5760
7 C5 Cg M 6 4 3 1.488 115.378 141.01 0.3350
8 H5E H1 E 7 6 4 1.090 108.921 174.98 0.0000
9 H5A H1 E 7 6 4 1.091 109.218 -67.32 0.0000
10 C4 Cg M 7 6 4 1.549 109.926 54.38 0.2360
11 H4 H1 E 10 7 6 1.091 108.456 64.34 0.0000
12 O4 Os E 10 7 6 1.453 110.505 -177.82 -0.4780
13 C3 Cg M 10 7 6 1.548 110.878 -55.20 0.2030
14 H3 H1 E 13 10 7 1.091 109.669 178.81 0.0000
15 C2 Cg B 13 10 7 1.550 108.635 58.91 0.3850
16 H2 H1 E 15 13 10 1.092 108.039 58.75 0.0000
17 O2 Oh S 15 13 10 1.459 111.068 175.70 -0.7320
18 H2O Ho E 17 15 13 0.963 108.588 169.06 0.4140
19 O3 Os M 13 10 7 1.460 108.674 -62.27 -0.4620
LOOP
C2 C1
DONE
WTA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 O2 Oh S 6 4 3 1.440 106.453 57.61 -0.6550
9 H2O Ho E 8 6 4 0.960 109.490 -58.28 0.4360
10 C3 Cg M 6 4 3 1.545 112.024 178.31 0.1240
11 H3 H1 E 10 6 4 1.091 106.708 69.61 0.0000
12 C4 Cg 3 10 6 4 1.543 114.910 -48.48 0.4340
13 H4 H1 E 12 10 6 1.091 109.633 172.69 0.0000
14 C5 Cg 3 12 10 6 1.544 109.739 52.34 0.1570
15 H5 H1 E 14 12 10 1.092 107.463 63.77 0.0000
16 C6 Cg 3 14 12 10 1.535 114.896 -176.35 0.3040
17 H62 H1 E 16 14 12 1.090 110.263 -52.86 0.0000
18 H61 H1 E 16 14 12 1.091 110.896 67.37 0.0000
19 O6 Oh S 16 14 12 1.434 108.863 -172.31 -0.6690
20 H6O Ho E 19 16 14 0.960 109.462 59.57 0.4010
21 O5 Os E 14 12 10 1.488 109.541 -53.52 -0.4800
22 O4 Os E 12 10 6 1.443 110.261 -67.82 -0.5080
23 O3 Os M 10 6 4 1.439 110.774 -174.86 -0.4390
LOOP
O5 C1
DONE
WTB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Oh S 9 7 6 1.434 108.837 64.00 -0.6660
13 H6O Ho E 12 9 7 0.960 109.430 -59.34 0.4060
14 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
15 H4 H1 E 14 7 6 1.091 109.475 -172.25 0.0000
16 O4 Os E 14 7 6 1.443 108.917 69.31 -0.4070
17 C3 Cg M 14 7 6 1.547 110.218 -51.66 0.1740
18 H3 H1 E 17 14 7 1.091 106.762 -67.21 0.0000
19 C2 Cg B 17 14 7 1.545 114.890 50.96 0.3400
20 H2 H1 E 19 17 14 1.091 109.957 -172.30 0.0000
21 O2 Oh S 19 17 14 1.444 109.766 67.90 -0.6370
22 H2O Ho E 21 19 17 0.960 109.413 -178.32 0.3970
23 O3 Os M 17 14 7 1.439 110.707 177.22 -0.4470
LOOP
C2 C1
DONE
WUA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.490 98.494 -135.80 0.3630
5 H1 H2 E 4 3 2 1.090 133.285 160.45 0.0000
6 C2 Cg M 4 3 2 1.559 106.137 19.27 0.2590
7 H2 H1 E 6 4 3 1.092 108.691 -14.77 0.0000
8 O2 Oh S 6 4 3 1.469 109.784 103.84 -0.6850
9 H2O Ho E 8 6 4 0.960 110.184 68.39 0.3850
10 C3 Cg M 6 4 3 1.555 110.585 -134.12 0.4170
11 H3 H1 E 10 6 4 1.092 108.809 -73.26 0.0000
12 C4 Cg 3 10 6 4 1.551 113.490 47.73 0.2230
13 H4 H1 E 12 10 6 1.092 108.495 63.78 0.0000
14 C5 Cg 3 12 10 6 1.541 110.331 -54.77 0.2320
15 H5 H1 E 14 12 10 1.091 107.517 172.11 0.0000
16 C6 C B 14 12 10 1.591 111.292 -72.79 0.6970
17 O6A O2 E 16 14 12 1.252 118.306 124.19 -0.7570
18 O6B O2 E 16 14 12 1.255 117.111 -52.87 -0.7570
19 O5 Os E 14 12 10 1.503 106.777 57.99 -0.5150
20 O4 Os E 12 10 6 1.461 110.962 -178.03 -0.5080
21 O3 Os M 10 6 4 1.454 110.391 168.10 -0.5480
LOOP
O5 C1
DONE
WUB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.486 98.866 -136.63 0.2780
5 H1 H2 E 4 3 2 1.090 81.785 -98.80 0.0000
6 O5 Os M 4 3 2 1.478 136.016 152.83 -0.4300
7 C5 Cg M 6 4 3 1.512 117.828 -89.26 0.1940
8 H5 H1 E 7 6 4 1.091 106.542 -169.54 0.0000
9 C6 C B 7 6 4 1.581 117.000 73.30 0.7500
10 O6B O2 E 9 7 6 1.255 117.682 -174.70 -0.7830
11 O6A O2 E 9 7 6 1.252 117.516 3.62 -0.7830
12 C4 Cg M 7 6 4 1.546 108.685 -54.23 0.3080
13 H4 H1 E 12 7 6 1.092 107.557 -65.54 0.0000
14 O4 Os E 12 7 6 1.456 111.691 177.10 -0.5170
15 C3 Cg M 12 7 6 1.552 112.015 52.87 0.2860
16 H3 H1 E 15 12 7 1.091 109.935 64.98 0.0000
17 C2 Cg B 15 12 7 1.545 109.635 -56.37 0.2890
18 H2 H1 E 17 15 12 1.091 107.746 -60.80 0.0000
19 O2 Oh S 17 15 12 1.455 110.598 -177.09 -0.6800
20 H2O Ho E 19 17 15 0.964 105.470 34.40 0.4220
21 O3 Os M 15 12 7 1.460 108.958 -175.86 -0.5280
LOOP
C2 C1
DONE
WVA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.481 98.684 -135.89 0.3890
5 H1 H2 E 4 3 2 1.090 143.995 158.32 0.0000
6 C2 Cg M 4 3 2 1.564 98.936 18.14 0.3990
7 H2 H1 E 6 4 3 1.092 107.476 -151.91 0.0000
8 N2 Ng B 6 4 3 1.483 111.776 89.86 -0.5950
9 H2N H E 8 6 4 1.007 117.335 -84.05 0.2380
10 C2N C B 8 6 4 1.336 122.570 82.01 0.6250
11 CME Cg 3 10 8 6 1.541 116.317 -175.68 0.0320
12 H3M Hc E 11 10 8 1.091 110.069 50.52 0.0000
13 H2M Hc E 11 10 8 1.091 110.181 170.34 0.0000
14 H1M Hc E 11 10 8 1.091 109.644 -69.76 0.0000
15 O2N O E 10 8 6 1.227 121.897 4.65 -0.6050
16 C3 Cg M 6 4 3 1.551 110.856 -34.26 0.1760
17 H3 H1 E 16 6 4 1.091 108.463 65.04 0.0000
18 C4 Cg 3 16 6 4 1.547 111.657 -53.80 0.3260
19 H4 H1 E 18 16 6 1.091 109.161 175.84 0.0000
20 C5 Cg 3 18 16 6 1.548 111.081 55.51 0.1120
21 H5 H1 E 20 18 16 1.091 106.814 64.45 0.0000
22 C6 Cg 3 20 18 16 1.543 114.704 -178.15 0.3620
23 H62 H1 E 22 20 18 1.090 110.167 -176.18 0.0000
24 H61 H1 E 22 20 18 1.090 109.608 -57.43 0.0000
25 O6 Oh S 22 20 18 1.435 111.052 62.92 -0.7110
26 H6O Ho E 25 22 20 0.972 106.687 -28.27 0.4240
27 O5 Os E 20 18 16 1.497 110.914 -51.89 -0.4660
28 O4 Os E 18 16 6 1.450 108.917 -66.09 -0.4530
29 O3 Os M 16 6 4 1.462 112.217 -176.56 -0.4470
LOOP
O5 C1
DONE
WVB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.423 98.572 -136.34 0.3050
5 H1 H2 E 4 3 2 1.091 71.466 -92.28 0.0000
6 O5 Os M 4 3 2 1.472 131.894 169.48 -0.4080
7 C5 Cg M 6 4 3 1.495 116.111 147.03 0.1360
8 H5 H1 E 7 6 4 1.092 107.966 -63.70 0.0000
9 C6 Cg 3 7 6 4 1.539 109.857 178.62 0.3530
10 H62 H1 E 9 7 6 1.090 110.929 -56.55 0.0000
11 H61 H1 E 9 7 6 1.091 110.331 -176.87 0.0000
12 O6 Oh S 9 7 6 1.436 108.896 63.69 -0.7140
13 H6O Ho E 12 9 7 0.962 107.704 -58.75 0.4270
14 C4 Cg M 7 6 4 1.544 110.300 53.58 0.2530
15 H4 H1 E 14 7 6 1.091 109.265 -173.55 0.0000
16 O4 Os E 14 7 6 1.445 109.653 67.69 -0.4440
17 C3 Cg M 14 7 6 1.544 111.265 -52.85 0.1520
18 H3 H1 E 17 14 7 1.092 108.104 -62.30 0.0000
19 C2 Cg B 17 14 7 1.558 111.369 56.32 0.5440
20 H2 H1 E 19 17 14 1.091 108.714 61.92 0.0000
21 N2 Ng B 19 17 14 1.481 110.595 -177.69 -0.6860
22 H2N H E 21 19 17 1.005 118.080 75.06 0.2540
23 C2N C B 21 19 17 1.336 122.747 -106.72 0.5860
24 O2N O E 23 21 19 1.227 122.402 0.23 -0.5640
25 CME Cg 3 23 21 19 1.543 116.272 179.61 0.0560
26 H3M Hc E 25 23 21 1.092 110.645 35.56 0.0000
27 H2M Hc E 25 23 21 1.091 109.982 155.53 0.0000
28 H1M Hc E 25 23 21 1.091 109.419 -84.79 0.0000
29 O3 Os M 17 14 7 1.462 108.677 -178.29 -0.4440
LOOP
C2 C1
DONE
WWA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.550 -135.71 0.4621
5 H1 H2 E 4 3 2 1.090 140.848 159.80 0.0000
6 C2 Cg M 4 3 2 1.554 101.409 17.32 0.2750
7 H2 H1 E 6 4 3 1.092 108.155 87.79 0.0000
8 N2 Ng B 6 4 3 1.482 111.229 -154.80 -0.4751
9 H2N H E 8 6 4 1.007 117.562 110.34 0.2142
10 C2N C B 8 6 4 1.336 123.787 -73.97 0.5909
11 CME Cg 3 10 8 6 1.539 115.681 -177.62 -0.0340
12 H3M Hc E 11 10 8 1.091 109.810 -60.19 0.0000
13 H2M Hc E 11 10 8 1.091 110.252 179.93 0.0000
14 H1M Hc E 11 10 8 1.091 109.868 60.00 0.0000
15 O2N O E 10 8 6 1.229 122.265 3.32 -0.5757
16 C3 Cg M 6 4 3 1.549 109.899 -30.46 0.2520
17 H3 H1 E 16 6 4 1.091 108.295 65.94 0.0000
18 C4 Cg 3 16 6 4 1.550 112.400 -53.90 0.3213
19 H4 H1 E 18 16 6 1.091 108.333 -69.37 0.0000
20 C5 Cg 3 18 16 6 1.547 112.664 51.61 0.2421
21 H5 H1 E 20 18 16 1.092 107.873 70.23 0.0000
22 C6 Cg 3 20 18 16 1.545 113.564 -171.33 0.2995
23 H62 H1 E 22 20 18 1.090 109.575 173.73 0.0000
24 H61 H1 E 22 20 18 1.090 109.924 -68.06 0.0000
25 O6 Oh S 22 20 18 1.443 112.033 52.74 -0.6618
26 H6O Ho E 25 22 20 0.961 109.813 -82.79 0.3959
27 O5 Os E 20 18 16 1.495 111.317 -46.63 -0.5415
28 O4 Os E 18 16 6 1.458 109.485 172.59 -0.4821
29 O3 Os M 16 6 4 1.455 110.348 -176.42 -0.4768
LOOP
O5 C1
DONE
WWB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.516 98.511 -136.43 0.3870
5 H1 H2 E 4 3 2 1.091 72.898 -90.19 0.0000
6 O5 Os M 4 3 2 1.464 129.676 168.95 -0.4980
7 C5 Cg M 6 4 3 1.498 114.507 143.60 0.3210
8 H5 H1 E 7 6 4 1.092 108.050 -62.29 0.0000
9 C6 Cg 3 7 6 4 1.542 108.838 -179.98 0.2470
10 H62 H1 E 9 7 6 1.091 110.098 -62.68 0.0000
11 H61 H1 E 9 7 6 1.090 110.437 177.81 0.0000
12 O6 Oh S 9 7 6 1.442 110.379 57.48 -0.6630
13 H6O Ho E 12 9 7 0.962 108.929 -56.35 0.4130
14 C4 Cg M 7 6 4 1.549 109.860 56.38 0.2770
15 H4 H1 E 14 7 6 1.092 109.334 70.38 0.0000
16 O4 Os E 14 7 6 1.447 108.932 -170.99 -0.4980
17 C3 Cg M 14 7 6 1.551 111.754 -50.66 0.2170
18 H3 H1 E 17 14 7 1.092 108.749 -66.35 0.0000
19 C2 Cg B 17 14 7 1.550 112.012 52.70 0.2940
20 H2 H1 E 19 17 14 1.092 107.937 -171.40 0.0000
21 N2 Ng B 19 17 14 1.485 111.811 69.61 -0.5580
22 H2N H E 21 19 17 1.007 117.378 -91.94 0.2650
23 C2N C B 21 19 17 1.337 123.528 90.12 0.5850
24 O2N O E 23 21 19 1.229 121.350 -4.57 -0.6000
25 CME Cg 3 23 21 19 1.544 116.722 177.13 0.0560
26 H3M Hc E 25 23 21 1.092 111.211 -15.23 0.0000
27 H2M Hc E 25 23 21 1.091 109.840 -135.47 0.0000
28 H1M Hc E 25 23 21 1.090 109.199 104.92 0.0000
29 O3 Os M 17 14 7 1.458 109.433 176.28 -0.4390
LOOP
C2 C1
DONE
WXA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.552 98.376 -135.65 0.4820
5 H1 H2 E 4 3 2 1.090 143.066 154.55 0.0000
6 C2 Cg M 4 3 2 1.552 98.681 14.07 0.1970
7 H2 H1 E 6 4 3 1.091 107.726 -152.01 0.0000
8 O2 Oh S 6 4 3 1.464 111.006 90.26 -0.6560
9 H2O Ho E 8 6 4 0.967 109.241 -39.05 0.4090
10 C3 Cg M 6 4 3 1.543 111.214 -33.26 0.3590
11 H3 H1 E 10 6 4 1.092 109.408 69.19 0.0000
12 C4 Cg 3 10 6 4 1.547 112.192 -52.80 0.2470
13 H4 H1 E 12 10 6 1.091 109.623 -66.19 0.0000
14 C5 Cg 3 12 10 6 1.539 110.634 53.97 0.3350
15 H5E H1 E 14 12 10 1.090 109.984 -172.58 0.0000
16 H5A H1 E 14 12 10 1.091 110.140 68.68 0.0000
17 O5 Os E 14 12 10 1.489 111.025 -51.97 -0.5880
18 O4 Os E 12 10 6 1.453 110.240 174.10 -0.4940
19 O3 Os M 10 6 4 1.451 108.116 -172.55 -0.4850
LOOP
O5 C1
DONE
WXB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.682 98.802 -135.60 0.2480
5 H1 H2 E 4 3 2 1.091 72.415 -93.43 0.0000
6 O5 Os M 4 3 2 1.466 132.232 166.71 -0.4470
7 C5 Cg M 6 4 3 1.482 115.196 148.40 0.3030
8 H5E H1 E 7 6 4 1.090 109.061 178.41 0.0000
9 H5A H1 E 7 6 4 1.092 109.076 -63.64 0.0000
10 C4 Cg M 7 6 4 1.541 109.795 57.60 0.2860
11 H4 H1 E 10 7 6 1.091 109.061 67.02 0.0000
12 O4 Os E 10 7 6 1.447 108.470 -174.60 -0.4870
13 C3 Cg M 10 7 6 1.546 111.571 -54.26 0.2280
14 H3 H1 E 13 10 7 1.092 109.010 -67.31 0.0000
15 C2 Cg B 13 10 7 1.547 111.370 53.00 0.4250
16 H2 H1 E 15 13 10 1.092 109.571 69.62 0.0000
17 O2 Oh S 15 13 10 1.452 108.733 -171.44 -0.6990
18 H2O Ho E 17 15 13 0.965 106.939 170.97 0.3980
19 O3 Os M 13 10 7 1.458 108.945 174.50 -0.4490
LOOP
C2 C1
DONE
WYA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.519 98.653 -135.65 0.4680
5 H1 H2 E 4 3 2 1.090 141.692 162.29 0.0000
6 C2 Cg M 4 3 2 1.558 103.961 13.89 0.2450
7 H2 H1 E 6 4 3 1.092 106.853 -149.41 0.0000
8 N2 Ng B 6 4 3 1.486 111.224 93.53 -0.5520
9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360
10 C2N C B 8 6 4 1.338 124.714 152.48 0.5880
11 CME Cg 3 10 8 6 1.544 117.110 -175.73 0.0630
12 H3M Hc E 11 10 8 1.092 111.363 2.06 0.0000
13 H2M Hc E 11 10 8 1.091 109.387 122.31 0.0000
14 H1M Hc E 11 10 8 1.090 109.379 -118.32 0.0000
15 O2N O E 10 8 6 1.228 121.379 4.88 -0.5790
16 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650
17 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000
18 C4 Cg 3 16 6 4 1.546 112.211 -50.71 0.3220
19 H4 H1 E 18 16 6 1.091 108.977 -70.26 0.0000
20 C5 Cg 3 18 16 6 1.544 112.523 51.74 0.2460
21 H5 H1 E 20 18 16 1.092 108.088 68.11 0.0000
22 C6 Cg 3 20 18 16 1.544 112.817 -173.43 0.3280
23 H62 H1 E 22 20 18 1.090 110.073 -62.63 0.0000
24 H61 H1 E 22 20 18 1.090 109.603 179.01 0.0000
25 O6 Oh S 22 20 18 1.444 111.701 58.39 -0.6880
26 H6O Ho E 25 22 20 0.960 109.460 179.56 0.4210
27 O5 Os E 20 18 16 1.500 111.305 -49.14 -0.5680
28 O4 Os E 18 16 6 1.448 107.905 171.55 -0.4780
29 O3 Os M 16 6 4 1.457 109.988 -171.07 -0.4110
LOOP
O5 C1
DONE
WYB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.493 98.498 -136.36 0.2870
5 H1 H2 E 4 3 2 1.091 71.450 -93.59 0.0000
6 O5 Os M 4 3 2 1.468 130.511 167.53 -0.4330
7 C5 Cg M 6 4 3 1.493 115.188 144.42 0.2080
8 H5 H1 E 7 6 4 1.092 108.293 -60.80 0.0000
9 C6 Cg 3 7 6 4 1.540 109.520 -179.10 0.2890
10 H62 H1 E 9 7 6 1.091 110.298 -62.00 0.0000
11 H61 H1 E 9 7 6 1.090 110.526 178.17 0.0000
12 O6 Oh S 9 7 6 1.439 109.712 58.17 -0.6890
13 H6O Ho E 12 9 7 0.961 108.379 -54.80 0.4240
14 C4 Cg M 7 6 4 1.542 108.679 57.57 0.3020
15 H4 H1 E 14 7 6 1.092 109.552 66.23 0.0000
16 O4 Os E 14 7 6 1.444 108.611 -175.00 -0.4740
17 C3 Cg M 14 7 6 1.547 111.743 -55.34 0.1800
18 H3 H1 E 17 14 7 1.092 108.855 -63.61 0.0000
19 C2 Cg B 17 14 7 1.555 110.847 55.82 0.4800
20 H2 H1 E 19 17 14 1.092 108.016 63.51 0.0000
21 N2 Ng B 19 17 14 1.484 110.897 -176.40 -0.7220
22 H2N H E 21 19 17 1.006 117.592 78.54 0.3000
23 C2N C B 21 19 17 1.336 123.143 -111.93 0.6480
24 O2N O E 23 21 19 1.226 122.116 6.61 -0.5760
25 CME Cg 3 23 21 19 1.542 116.434 -175.43 0.0340
26 H3M Hc E 25 23 21 1.092 110.630 37.74 0.0000
27 H2M Hc E 25 23 21 1.091 110.076 157.79 0.0000
28 H1M Hc E 25 23 21 1.091 109.335 -82.58 0.0000
29 O3 Os M 17 14 7 1.462 108.350 179.31 -0.4520
LOOP
C2 C1
DONE
WZA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.420 99.000 -130.34 0.3980
5 H1 H2 E 4 3 2 1.090 21.912 102.13 0.0000
6 C2 Cg M 4 3 2 1.551 109.472 7.93 0.3260
7 H2 H1 E 6 4 3 1.091 107.487 74.75 0.0000
8 O2 Oh S 6 4 3 1.467 110.139 -42.45 -0.7320
9 H2O Ho E 8 6 4 0.965 107.076 -40.93 0.4060
10 C3 Cg M 6 4 3 1.547 112.398 -166.09 0.3000
11 H3 H1 E 10 6 4 1.092 108.680 71.61 0.0000
12 C4 Cg 3 10 6 4 1.555 112.948 -49.44 0.1930
13 H4 H1 E 12 10 6 1.091 109.268 -72.54 0.0000
14 C5 Cg 3 12 10 6 1.550 113.190 48.46 0.1870
15 H5 H1 E 14 12 10 1.092 106.693 67.16 0.0000
16 C6 C B 14 12 10 1.597 111.674 -179.86 0.7980
17 O6A O2 E 16 14 12 1.259 117.589 -37.92 -0.7870
18 O6B O2 E 16 14 12 1.252 118.424 145.06 -0.7870
19 O5 Os E 14 12 10 1.515 110.155 -47.11 -0.5440
20 O4 Os E 12 10 6 1.452 109.657 168.36 -0.4540
21 O3 Os M 10 6 4 1.458 107.208 -171.22 -0.4980
LOOP
O5 C1
DONE
WZB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.413 98.374 -136.24 0.2510
5 H1 H2 E 4 3 2 1.091 70.111 -94.11 0.0000
6 O5 Os M 4 3 2 1.460 133.490 168.28 -0.4130
7 C5 Cg M 6 4 3 1.502 116.304 144.38 0.0750
8 H5 H1 E 7 6 4 1.092 106.868 -58.62 0.0000
9 C6 C B 7 6 4 1.584 116.788 -176.23 0.8930
10 O6B O2 E 9 7 6 1.258 117.333 -166.06 -0.8180
11 O6A O2 E 9 7 6 1.252 118.262 15.31 -0.8180
12 C4 Cg M 7 6 4 1.542 108.303 57.48 0.2670
13 H4 H1 E 12 7 6 1.092 108.248 69.44 0.0000
14 O4 Os E 12 7 6 1.449 108.907 -172.84 -0.4980
15 C3 Cg M 12 7 6 1.552 113.280 -51.87 0.2660
16 H3 H1 E 15 12 7 1.092 108.760 -69.98 0.0000
17 C2 Cg B 15 12 7 1.551 112.291 50.40 0.4110
18 H2 H1 E 17 15 12 1.092 109.200 71.99 0.0000
19 O2 Oh S 17 15 12 1.458 111.055 -168.01 -0.7400
20 H2O Ho E 19 17 15 0.962 106.072 172.93 0.4220
21 O3 Os M 15 12 7 1.459 107.412 172.72 -0.4920
LOOP
C2 C1
DONE
WaA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.188 125.377 -138.64 0.4480
5 H1 H2 E 4 3 2 1.091 32.906 146.73 0.0000
6 O5 Os M 4 3 2 1.484 133.629 99.38 -0.5640
7 C5 Cg M 6 4 3 1.479 117.874 -165.14 0.3790
8 H5A H1 E 7 6 4 1.091 109.412 64.62 0.0000
9 H5E H1 E 7 6 4 1.090 109.141 -176.99 0.0000
10 C4 Cg M 7 6 4 1.532 108.551 -56.56 0.2450
11 H4 H1 E 10 7 6 1.091 108.287 -64.52 0.0000
12 O4 Os E 10 7 6 1.437 109.023 178.50 -0.5080
13 C3 Cg M 10 7 6 1.543 112.944 55.64 0.3350
14 H3 H1 E 13 10 7 1.091 109.892 -174.01 0.0000
15 C2 Cg B 13 10 7 1.543 111.532 -51.47 0.2680
16 H2 H1 E 15 13 10 1.092 109.910 169.41 0.0000
17 O2 Oh S 15 13 10 1.437 107.286 -74.11 -0.7350
18 H2O Ho E 17 15 13 0.960 109.480 -58.08 0.4430
19 O3 Os M 13 10 7 1.441 110.011 67.03 -0.5050
LOOP
C2 C1
DONE
WaB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.197 114.912 -133.16 0.3790
5 H1 H2 E 4 3 2 1.091 60.190 -69.03 0.0000
6 C2 Cg M 4 3 2 1.563 137.254 -156.94 0.3000
7 H2 H1 E 6 4 3 1.091 109.469 14.39 0.0000
8 O2 Oh S 6 4 3 1.460 111.691 -105.49 -0.7000
9 H2O Ho E 8 6 4 0.965 107.206 46.97 0.4180
10 C3 Cg M 6 4 3 1.543 109.402 134.96 0.2970
11 H3 H1 E 10 6 4 1.091 109.527 174.23 0.0000
12 C4 Cg 3 10 6 4 1.551 111.469 53.21 0.2240
13 H4 H1 E 12 10 6 1.091 108.923 64.26 0.0000
14 C5 Cg 3 12 10 6 1.546 111.087 -54.81 0.3560
15 H5A H1 E 14 12 10 1.091 110.570 -66.53 0.0000
16 H5E H1 E 14 12 10 1.090 109.958 174.33 0.0000
17 O5 Os E 14 12 10 1.485 110.184 54.27 -0.5290
18 O4 Os E 12 10 6 1.458 110.429 -177.71 -0.4840
19 O3 Os M 10 6 4 1.454 108.942 -67.85 -0.4550
LOOP
O5 C1
DONE
WbA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.597 116.875 -129.05 0.1300
5 C1 Cg 3 4 3 2 1.560 38.289 130.05 0.4280
6 H11 H1 E 5 4 3 1.090 109.813 -63.29 0.0000
7 H12 H1 E 5 4 3 1.091 110.098 55.13 0.0000
8 O1 Oh S 5 4 3 1.443 112.003 175.62 -0.6780
9 H1O Ho E 8 5 4 0.961 107.457 -73.22 0.3990
10 O6 Os M 4 3 2 1.483 117.931 41.66 -0.5070
11 C6 Cg M 10 4 3 1.491 117.309 -140.69 0.3410
12 H6A H1 E 11 10 4 1.091 108.839 69.58 0.0000
13 H6E H1 E 11 10 4 1.090 108.907 -173.08 0.0000
14 C5 Cg M 11 10 4 1.544 111.103 -51.77 0.2240
15 H5 H1 E 14 11 10 1.091 108.357 -70.02 0.0000
16 O5 Oh S 14 11 10 1.455 108.467 172.51 -0.6900
17 H5O Ho E 16 14 11 0.963 109.307 159.42 0.4290
18 C4 Cg M 14 11 10 1.550 111.673 50.56 0.3350
19 H4 H1 E 18 14 11 1.092 110.207 65.56 0.0000
20 O4 Os E 18 14 11 1.461 109.228 -175.33 -0.4970
21 C3 Cg M 18 14 11 1.548 109.394 -55.39 0.3720
22 H3 H1 E 21 18 14 1.092 107.364 -59.65 0.0000
23 O3 Os M 21 18 14 1.456 111.878 -176.69 -0.4800
LOOP
C3 C2
DONE
WbB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.272 115.141 -133.35 0.2270
5 C1 Cg 3 4 3 2 1.563 58.191 -68.63 0.2810
6 H11 H1 E 5 4 3 1.090 110.121 173.79 0.0000
7 H12 H1 E 5 4 3 1.091 110.325 -67.50 0.0000
8 O1 Oh S 5 4 3 1.444 111.743 53.37 -0.6260
9 H1O Ho E 8 5 4 0.960 109.452 -179.75 0.3950
10 C3 Cg M 4 3 2 1.564 137.751 -159.39 0.4640
11 H3 H1 E 10 4 3 1.092 108.642 -99.82 0.0000
12 C4 Cg 3 10 4 3 1.550 112.585 140.12 0.1080
13 H4 H1 E 12 10 4 1.092 109.044 -68.01 0.0000
14 C5 Cg 3 12 10 4 1.545 110.670 52.19 0.3400
15 H5 H1 E 14 12 10 1.091 109.543 69.26 0.0000
16 C6 Cg 3 14 12 10 1.543 112.662 -52.18 0.3110
17 H6A H1 E 16 14 12 1.091 110.545 -68.04 0.0000
18 H6E H1 E 16 14 12 1.090 110.160 172.58 0.0000
19 O6 Os E 16 14 12 1.485 109.751 52.43 -0.4770
20 O5 Oh S 14 12 10 1.444 107.942 -172.32 -0.7200
21 H5O Ho E 20 14 12 0.966 106.322 -48.08 0.4290
22 O4 Os E 12 10 4 1.460 110.433 173.08 -0.4340
23 O3 Os M 10 4 3 1.453 110.350 18.53 -0.4920
LOOP
O6 C2
DONE
WbD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.957 117.418 -130.32 0.2410
5 C1 Cg 3 4 3 2 1.546 22.070 -155.25 0.3130
6 H11 H1 E 5 4 3 1.091 109.856 0.87 0.0000
7 H12 H1 E 5 4 3 1.090 110.325 119.99 0.0000
8 O1 Oh S 5 4 3 1.443 110.871 -119.49 -0.6680
9 H1O Ho E 8 5 4 0.961 109.037 163.85 0.4140
10 O5 Os M 4 3 2 1.565 96.957 71.60 -0.4520
11 C5 Cg M 10 4 3 1.587 113.494 153.37 0.2710
12 H5 H1 E 11 10 4 1.091 109.010 115.27 0.0000
13 C6 Cg 3 11 10 4 1.543 109.502 -125.08 0.2810
14 H61 H1 E 13 11 10 1.090 110.249 169.67 0.0000
15 H62 H1 E 13 11 10 1.091 109.980 50.42 0.0000
16 O6 Oh S 13 11 10 1.443 110.886 -70.57 -0.6790
17 H6O Ho E 16 13 11 0.959 110.164 -69.40 0.4110
18 C4 Cg M 11 10 4 1.626 104.732 -0.82 0.2250
19 H4 H1 E 18 11 10 1.091 107.421 106.22 0.0000
20 O4 Os E 18 11 10 1.457 113.168 -134.63 -0.4690
21 C3 Cg M 18 11 10 1.636 107.413 -10.45 0.4400
22 H3 H1 E 21 18 11 1.090 107.628 -98.64 0.0000
23 O3 Os M 21 18 11 1.453 110.696 144.44 -0.5220
LOOP
C3 C2
DONE
WbU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.314 114.653 -133.53 0.2470
5 C1 Cg 3 4 3 2 1.553 43.383 -64.68 0.2990
6 H11 H1 E 5 4 3 1.091 109.538 173.60 0.0000
7 H12 H1 E 5 4 3 1.091 110.361 -67.58 0.0000
8 O1 Oh S 5 4 3 1.445 111.462 53.50 -0.6270
9 H1O Ho E 8 5 4 0.960 109.374 172.60 0.3820
10 C3 Cg M 4 3 2 1.635 135.193 -142.32 0.3820
11 H3 H1 E 10 4 3 1.091 108.980 -85.98 0.0000
12 C4 Cg 3 10 4 3 1.637 107.249 157.15 0.2830
13 H4 H1 E 12 10 4 1.091 108.865 -102.82 0.0000
14 C5 Cg 3 12 10 4 1.624 107.577 13.45 0.2100
15 H5 H1 E 14 12 10 1.091 108.969 -127.62 0.0000
16 C6 Cg 3 14 12 10 1.541 114.994 109.54 0.3320
17 H61 H1 E 16 14 12 1.090 109.861 59.82 0.0000
18 H62 H1 E 16 14 12 1.090 110.302 -59.54 0.0000
19 O6 Oh S 16 14 12 1.442 110.695 179.56 -0.7010
20 H6O Ho E 19 16 14 0.959 110.169 -52.94 0.4090
21 O5 Os E 14 12 10 1.582 104.801 -11.31 -0.3850
22 O4 Os E 12 10 4 1.453 111.864 137.73 -0.5150
23 O3 Os M 10 4 3 1.455 113.678 34.22 -0.5100
LOOP
O5 C2
DONE
WcA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.586 116.969 -129.11 0.3450
5 C1 Cg 3 4 3 2 1.567 44.165 126.75 0.3860
6 H11 H1 E 5 4 3 1.091 110.132 -50.25 0.0000
7 H12 H1 E 5 4 3 1.091 109.446 67.92 0.0000
8 O1 Oh S 5 4 3 1.446 112.801 -171.35 -0.6960
9 H1O Ho E 8 5 4 0.968 106.626 -39.29 0.4020
10 O6 Os M 4 3 2 1.483 117.808 35.58 -0.6200
11 C6 Cg M 10 4 3 1.483 118.572 -140.03 0.4370
12 H6A H1 E 11 10 4 1.091 109.541 67.42 0.0000
13 H6E H1 E 11 10 4 1.090 108.752 -174.83 0.0000
14 C5 Cg M 11 10 4 1.538 109.646 -54.60 0.1950
15 H5 H1 E 14 11 10 1.091 108.701 -59.59 0.0000
16 O5 Oh S 14 11 10 1.462 111.474 -178.00 -0.7090
17 H5O Ho E 16 14 11 0.964 110.741 83.12 0.4150
18 C4 Cg M 14 11 10 1.544 109.577 58.96 0.3670
19 H4 H1 E 18 14 11 1.091 108.427 -177.56 0.0000
20 O4 Os E 18 14 11 1.450 110.035 65.74 -0.5200
21 C3 Cg M 18 14 11 1.551 112.343 -57.29 0.2470
22 H3 H1 E 21 18 14 1.092 108.943 168.11 0.0000
23 O3 Os M 21 18 14 1.466 107.388 -76.78 -0.4430
LOOP
C3 C2
DONE
WcB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.348 115.227 -133.37 0.2440
5 C1 Cg 3 4 3 2 1.563 56.302 -67.37 0.2970
6 H11 H1 E 5 4 3 1.088 110.800 167.68 0.0000
7 H12 H1 E 5 4 3 1.091 110.065 -73.30 0.0000
8 O1 Oh S 5 4 3 1.447 111.733 47.62 -0.6690
9 H1O Ho E 8 5 4 0.961 109.456 178.60 0.4010
10 C3 Cg M 4 3 2 1.569 136.938 -155.77 0.3170
11 H3 H1 E 10 4 3 1.091 109.321 19.65 0.0000
12 C4 Cg 3 10 4 3 1.551 113.143 142.19 0.3440
13 H4 H1 E 12 10 4 1.091 109.341 168.38 0.0000
14 C5 Cg 3 12 10 4 1.549 111.995 47.93 0.1950
15 H5 H1 E 14 12 10 1.091 108.324 67.05 0.0000
16 C6 Cg 3 14 12 10 1.539 112.024 -51.70 0.3650
17 H6A H1 E 16 14 12 1.091 110.698 -66.37 0.0000
18 H6E H1 E 16 14 12 1.090 110.083 174.22 0.0000
19 O6 Os E 16 14 12 1.482 109.460 54.46 -0.4600
20 O5 Oh S 14 12 10 1.457 110.756 -175.28 -0.6840
21 H5O Ho E 20 14 12 0.965 109.084 44.29 0.4150
22 O4 Os E 12 10 4 1.459 109.536 -74.38 -0.4750
23 O3 Os M 10 4 3 1.453 110.172 -98.32 -0.4840
LOOP
O6 C2
DONE
WcD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.889 117.408 -130.13 0.2840
5 C1 Cg 3 4 3 2 1.556 17.540 -147.50 0.3700
6 H11 H1 E 5 4 3 1.091 110.210 18.90 0.0000
7 H12 H1 E 5 4 3 1.091 109.651 137.75 0.0000
8 O1 Oh S 5 4 3 1.441 111.328 -102.08 -0.6880
9 H1O Ho E 8 5 4 0.970 106.366 -49.38 0.4140
10 O5 Os M 4 3 2 1.564 97.899 67.10 -0.4980
11 C5 Cg M 10 4 3 1.584 113.350 147.62 0.3090
12 H5 H1 E 11 10 4 1.092 109.375 118.93 0.0000
13 C6 Cg 3 11 10 4 1.538 110.489 -119.98 0.2650
14 H61 H1 E 13 11 10 1.090 109.956 165.98 0.0000
15 H62 H1 E 13 11 10 1.091 109.952 47.12 0.0000
16 O6 Oh S 13 11 10 1.442 111.246 -74.00 -0.6640
17 H6O Ho E 16 13 11 0.960 110.855 -67.48 0.4120
18 C4 Cg M 11 10 4 1.621 104.926 0.33 0.3320
19 H4 H1 E 18 11 10 1.091 111.196 -131.00 0.0000
20 O4 Os E 18 11 10 1.453 109.530 109.63 -0.5340
21 C3 Cg M 18 11 10 1.638 107.987 -8.85 0.2820
22 H3 H1 E 21 18 11 1.091 111.251 134.95 0.0000
23 O3 Os M 21 18 11 1.460 108.216 -106.61 -0.4780
LOOP
C3 C2
DONE
WcU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.083 122.370 -140.57 0.2390
5 C1 Cg 3 4 3 2 1.537 53.448 -6.93 0.2870
6 H11 H1 E 5 4 3 1.091 109.952 -154.15 0.0000
7 H12 H1 E 5 4 3 1.091 110.638 -34.86 0.0000
8 O1 Oh S 5 4 3 1.437 110.256 86.15 -0.6240
9 H1O Ho E 8 5 4 0.960 109.490 179.97 0.4010
10 C3 Cg M 4 3 2 1.636 113.047 -107.26 0.3330
11 H3 H1 E 10 4 3 1.091 111.948 41.20 0.0000
12 C4 Cg 3 10 4 3 1.624 107.103 164.76 0.2930
13 H4 H1 E 12 10 4 1.092 112.868 136.79 0.0000
14 C5 Cg 3 12 10 4 1.622 107.882 12.29 0.3100
15 H5 H1 E 14 12 10 1.092 110.981 -127.12 0.0000
16 C6 Cg 3 14 12 10 1.529 112.711 109.36 0.2720
17 H61 H1 E 16 14 12 1.090 110.315 59.90 0.0000
18 H62 H1 E 16 14 12 1.091 110.618 -60.32 0.0000
19 O6 Oh S 16 14 12 1.433 108.667 179.51 -0.6520
20 H6O Ho E 19 16 14 0.960 109.494 -59.32 0.3970
21 O5 Os E 14 12 10 1.577 105.503 -8.77 -0.4490
22 O4 Os E 12 10 4 1.434 107.032 -103.41 -0.5260
23 O3 Os M 10 4 3 1.439 111.311 -80.89 -0.4750
LOOP
O5 C2
DONE
WdA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.386 115.065 -132.97 0.3980
5 H1 H2 E 4 3 2 1.090 122.721 39.39 0.0000
6 O5 Os M 4 3 2 1.470 69.754 -59.92 -0.4870
7 C5 Cg M 6 4 3 1.490 117.560 -72.03 0.2750
8 H5A H1 E 7 6 4 1.092 108.478 71.52 0.0000
9 H5E H1 E 7 6 4 1.090 108.927 -171.44 0.0000
10 C4 Cg M 7 6 4 1.543 111.684 -49.69 0.3510
11 H4 H1 E 10 7 6 1.091 109.854 -69.03 0.0000
12 O4 Os E 10 7 6 1.447 108.472 171.92 -0.4830
13 C3 Cg M 10 7 6 1.545 110.247 52.70 0.1840
14 H3 H1 E 13 10 7 1.091 108.583 60.91 0.0000
15 C2 Cg B 13 10 7 1.549 111.008 -57.45 0.2460
16 H2 H1 E 15 13 10 1.091 109.256 175.96 0.0000
17 O2 Oh S 15 13 10 1.458 110.247 -65.62 -0.6780
18 H2O Ho E 17 15 13 0.962 110.757 -168.88 0.4320
19 O3 Os M 13 10 7 1.459 110.859 178.21 -0.4320
LOOP
C2 C1
DONE
WdB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.553 116.316 -128.93 0.4480
5 H1 H2 E 4 3 2 1.091 113.723 25.37 0.0000
6 C2 Cg M 4 3 2 1.543 134.009 -175.87 0.2260
7 H2 H1 E 6 4 3 1.091 110.247 141.57 0.0000
8 O2 Oh S 6 4 3 1.446 108.761 21.88 -0.6450
9 H2O Ho E 8 6 4 0.960 109.425 59.50 0.4150
10 C3 Cg M 6 4 3 1.543 109.102 -97.36 0.2010
11 H3 H1 E 10 6 4 1.092 108.078 -65.99 0.0000
12 C4 Cg 3 10 6 4 1.543 112.432 54.46 0.3350
13 H4 H1 E 12 10 6 1.091 110.326 70.31 0.0000
14 C5 Cg 3 12 10 6 1.539 111.797 -51.79 0.2750
15 H5A H1 E 14 12 10 1.092 110.541 -69.74 0.0000
16 H5E H1 E 14 12 10 1.090 110.214 170.80 0.0000
17 O5 Os E 14 12 10 1.480 110.071 50.34 -0.5190
18 O4 Os E 12 10 6 1.436 108.765 -169.83 -0.4670
19 O3 Os M 10 6 4 1.440 109.342 176.73 -0.4630
LOOP
O5 C1
DONE
WeA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Oh S 9 7 6 1.434 108.916 -64.43 -0.6630
13 H6O Ho E 12 9 7 0.960 109.470 -59.69 0.4060
14 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
15 H4 H1 E 14 7 6 1.091 108.456 -65.22 0.0000
16 O4 Os E 14 7 6 1.439 109.886 177.28 -0.5000
17 C3 Cg M 14 7 6 1.544 113.133 54.81 0.3280
18 H3 H1 E 17 14 7 1.091 109.843 -174.05 0.0000
19 C2 Cg B 17 14 7 1.541 111.809 -51.50 0.1790
20 H2 H1 E 19 17 14 1.092 109.967 169.74 0.0000
21 O2 Oh S 19 17 14 1.437 107.327 -73.67 -0.6900
22 H2O Ho E 21 19 17 0.960 109.486 -178.36 0.4470
23 O3 Os M 17 14 7 1.442 110.012 67.08 -0.4880
LOOP
C2 C1
DONE
WeB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 O2 Oh S 6 4 3 1.463 112.571 -104.80 -0.6970
9 H2O Ho E 8 6 4 0.966 108.305 55.11 0.4320
10 C3 Cg M 6 4 3 1.540 108.887 135.69 0.3150
11 H3 H1 E 10 6 4 1.091 109.473 176.26 0.0000
12 C4 Cg 3 10 6 4 1.554 111.264 55.47 0.3200
13 H4 H1 E 12 10 6 1.091 108.716 63.72 0.0000
14 C5 Cg 3 12 10 6 1.549 111.196 -55.77 0.2570
15 H5 H1 E 14 12 10 1.092 109.111 -65.44 0.0000
16 C6 Cg 3 14 12 10 1.541 112.018 174.42 0.2780
17 H61 H1 E 16 14 12 1.090 110.614 60.34 0.0000
18 H62 H1 E 16 14 12 1.091 110.136 -59.38 0.0000
19 O6 Oh S 16 14 12 1.439 109.977 -179.42 -0.6770
20 H6O Ho E 19 16 14 0.962 108.042 50.79 0.4080
21 O5 Os E 14 12 10 1.501 109.730 53.07 -0.5320
22 O4 Os E 12 10 6 1.457 110.079 -178.65 -0.4980
23 O3 Os M 10 6 4 1.454 108.210 -66.23 -0.4720
LOOP
O5 C1
DONE
WfA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.290 114.938 -133.05 0.3990
5 H1 H2 E 4 3 2 1.090 120.789 32.75 0.0000
6 O5 Os M 4 3 2 1.472 68.244 -66.42 -0.4940
7 C5 Cg M 6 4 3 1.495 116.875 -70.92 0.1870
8 H5 H1 E 7 6 4 1.091 107.622 67.25 0.0000
9 C6 Cg 3 7 6 4 1.531 107.907 -177.50 0.0650
10 H61 Hc E 9 7 6 1.091 112.013 60.69 0.0000
11 H62 Hc E 9 7 6 1.091 111.136 -59.35 0.0000
12 H63 Hc E 9 7 6 1.090 111.280 -178.78 0.0000
13 C4 Cg M 7 6 4 1.554 111.650 -50.04 0.2630
14 H4 H1 E 13 7 6 1.091 108.736 170.14 0.0000
15 O4 Os E 13 7 6 1.452 110.366 -71.52 -0.4860
16 C3 Cg M 13 7 6 1.549 111.442 50.00 0.2280
17 H3 H1 E 16 13 7 1.091 108.535 63.68 0.0000
18 C2 Cg B 16 13 7 1.550 109.944 -55.77 0.4560
19 H2 H1 E 18 16 13 1.091 109.004 -59.37 0.0000
20 O2 Oh S 18 16 13 1.463 111.178 -176.89 -0.8040
21 H2O Ho E 20 18 16 0.961 108.560 80.99 0.4530
22 O3 Os M 16 13 7 1.464 109.243 -179.40 -0.4610
LOOP
C2 C1
DONE
WfB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.094 122.532 -140.40 0.4180
5 H1 H2 E 4 3 2 1.091 73.877 -8.00 0.0000
6 C2 Cg M 4 3 2 1.545 109.309 -114.38 0.3460
7 H2 H1 E 6 4 3 1.092 110.063 -86.50 0.0000
8 O2 Oh S 6 4 3 1.439 107.580 32.59 -0.7650
9 H2O Ho E 8 6 4 0.960 109.418 -59.18 0.4400
10 C3 Cg M 6 4 3 1.542 111.933 150.88 0.2550
11 H3 H1 E 10 6 4 1.092 108.986 -69.25 0.0000
12 C4 Cg 3 10 6 4 1.542 112.898 50.54 0.2290
13 H4 H1 E 12 10 6 1.091 109.948 -175.33 0.0000
14 C5 Cg 3 12 10 6 1.543 109.625 -54.44 0.1060
15 H5 H1 E 14 12 10 1.092 108.258 -61.07 0.0000
16 C6 Cg 3 14 12 10 1.531 115.663 178.40 0.0920
17 H61 Hc E 16 14 12 1.091 111.160 177.14 0.0000
18 H62 Hc E 16 14 12 1.091 112.070 -62.71 0.0000
19 H63 Hc E 16 14 12 1.091 111.199 57.72 0.0000
20 O5 Os E 14 12 10 1.481 108.818 56.43 -0.4420
21 O4 Os E 12 10 6 1.445 109.758 64.85 -0.4300
22 O3 Os M 10 6 4 1.440 109.807 172.76 -0.4430
LOOP
O5 C1
DONE
WgA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Oh S 9 7 6 1.444 110.823 -72.03 -0.6820
13 H6O Ho E 12 9 7 0.960 109.735 -78.35 0.4180
14 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
15 H4 H1 E 14 7 6 1.092 109.342 -68.48 0.0000
16 O4 Os E 14 7 6 1.451 108.995 172.71 -0.4680
17 C3 Cg M 14 7 6 1.547 111.254 52.54 0.2860
18 H3 H1 E 17 14 7 1.092 109.616 66.99 0.0000
19 C2 Cg B 17 14 7 1.543 112.114 -54.50 0.2460
20 H2 H1 E 19 17 14 1.091 108.373 -65.99 0.0000
21 O2 Oh S 19 17 14 1.465 110.086 176.46 -0.7130
22 H2O Ho E 21 19 17 0.967 109.170 -83.89 0.4370
23 O3 Os M 17 14 7 1.452 108.604 -174.42 -0.4660
LOOP
C2 C1
DONE
WgB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 O2 Oh S 6 4 3 1.458 110.080 20.25 -0.7180
9 H2O Ho E 8 6 4 0.966 108.053 -54.43 0.4370
10 C3 Cg M 6 4 3 1.545 110.380 140.59 0.2840
11 H3 H1 E 10 6 4 1.092 109.008 -69.00 0.0000
12 C4 Cg 3 10 6 4 1.548 112.113 51.91 0.2760
13 H4 H1 E 12 10 6 1.092 109.378 67.39 0.0000
14 C5 Cg 3 12 10 6 1.543 111.306 -53.55 0.2250
15 H5 H1 E 14 12 10 1.092 109.126 -64.00 0.0000
16 C6 Cg 3 14 12 10 1.541 112.515 175.39 0.2820
17 H61 H1 E 16 14 12 1.090 110.609 61.43 0.0000
18 H62 H1 E 16 14 12 1.091 110.212 -58.37 0.0000
19 O6 Oh S 16 14 12 1.440 109.810 -178.39 -0.6880
20 H6O Ho E 19 16 14 0.962 108.265 53.10 0.4240
21 O5 Os E 14 12 10 1.495 108.909 54.04 -0.4710
22 O4 Os E 12 10 6 1.448 109.104 -173.75 -0.4680
23 O3 Os M 10 6 4 1.454 109.219 172.60 -0.4710
LOOP
O5 C1
DONE
WhA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.373 114.818 -133.12 0.3940
5 H1 H2 E 4 3 2 1.090 123.975 26.37 0.0000
6 O5 Os M 4 3 2 1.473 66.142 -70.59 -0.4610
7 C5 Cg M 6 4 3 1.486 117.952 -69.56 0.2790
8 H5 H1 E 7 6 4 1.092 108.099 67.53 0.0000
9 C6 Cg 3 7 6 4 1.530 106.736 -176.09 0.0230
10 H61 Hc E 9 7 6 1.091 111.668 63.20 0.0000
11 H62 Hc E 9 7 6 1.091 111.314 -56.98 0.0000
12 H63 Hc E 9 7 6 1.090 111.509 -176.49 0.0000
13 C4 Cg M 7 6 4 1.549 110.695 -51.67 0.1870
14 H4 H1 E 13 7 6 1.091 109.781 -68.51 0.0000
15 O4 Os E 13 7 6 1.456 109.491 172.11 -0.4330
16 C3 Cg M 13 7 6 1.545 110.317 52.49 0.2360
17 H3 H1 E 16 13 7 1.092 108.830 64.14 0.0000
18 C2 Cg B 16 13 7 1.545 112.380 -55.89 0.2480
19 H2 H1 E 18 16 13 1.091 109.364 174.25 0.0000
20 O2 Oh S 18 16 13 1.456 109.714 -67.50 -0.6700
21 H2O Ho E 20 18 16 0.965 106.818 -49.47 0.4210
22 O3 Os M 16 13 7 1.452 109.689 -178.23 -0.4180
LOOP
C2 C1
DONE
WhB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 42.030 124.543 -153.41 0.3810
5 H1 H2 E 4 3 2 1.091 139.785 159.66 0.0000
6 C2 Cg M 4 3 2 1.542 96.846 27.94 0.2430
7 H2 H1 E 6 4 3 1.091 110.263 89.84 0.0000
8 O2 Oh S 6 4 3 1.446 108.900 -29.97 -0.6730
9 H2O Ho E 8 6 4 0.960 109.408 -178.72 0.4320
10 C3 Cg M 6 4 3 1.542 108.951 -149.17 0.1820
11 H3 H1 E 10 6 4 1.092 107.999 -65.80 0.0000
12 C4 Cg 3 10 6 4 1.543 112.684 54.72 0.3880
13 H4 H1 E 12 10 6 1.092 109.930 71.13 0.0000
14 C5 Cg 3 12 10 6 1.547 112.131 -51.25 0.1720
15 H5 H1 E 14 12 10 1.092 109.230 -69.17 0.0000
16 C6M Cg 3 14 12 10 1.530 114.214 169.13 0.0390
17 H3M Hc E 16 14 12 1.091 111.441 61.33 0.0000
18 H2M Hc E 16 14 12 1.091 111.709 -58.98 0.0000
19 H1M Hc E 16 14 12 1.091 111.297 -179.18 0.0000
20 O5 Os E 14 12 10 1.483 109.717 48.94 -0.4270
21 O4 Os E 12 10 6 1.438 108.082 -169.72 -0.4900
22 O3 Os M 10 6 4 1.440 109.222 177.05 -0.4410
LOOP
O5 C1
DONE
WjA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 32.606 116.955 -129.13 0.1140
5 C1 Cg 3 4 3 2 1.562 37.871 133.82 0.4100
6 H11 H1 E 5 4 3 1.091 110.432 -44.43 0.0000
7 H12 H1 E 5 4 3 1.091 109.780 74.50 0.0000
8 O1 Oh S 5 4 3 1.437 111.258 -165.16 -0.6560
9 H1O Ho E 8 5 4 0.970 105.489 -31.79 0.4050
10 O6 Os M 4 3 2 1.482 115.122 42.33 -0.5040
11 C6 Cg M 10 4 3 1.489 118.583 -143.57 0.3680
12 H6A H1 E 11 10 4 1.091 108.585 71.14 0.0000
13 H6E H1 E 11 10 4 1.090 108.936 -171.67 0.0000
14 C5 Cg M 11 10 4 1.541 111.422 -50.10 0.2730
15 H5 H1 E 14 11 10 1.091 109.320 -69.49 0.0000
16 O5 Oh S 14 11 10 1.453 108.662 172.04 -0.6990
17 H5O Ho E 16 14 11 0.965 108.090 -177.58 0.4190
18 C4 Cg M 14 11 10 1.547 110.532 51.66 0.2810
19 H4 H1 E 18 14 11 1.091 108.842 63.65 0.0000
20 O4 Os E 18 14 11 1.460 110.450 -178.37 -0.4530
21 C3 Cg M 18 14 11 1.550 111.417 -56.44 0.2710
22 H3 H1 E 21 18 14 1.091 109.045 176.24 0.0000
23 O3 Os M 21 18 14 1.458 108.952 -66.09 -0.4230
LOOP
C3 C2
DONE
WjB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.167 115.000 -133.41 0.4130
5 C1 Cg 3 4 3 2 1.565 63.386 -70.64 0.2800
6 H11 H1 E 5 4 3 1.089 110.419 -177.38 0.0000
7 H12 H1 E 5 4 3 1.091 109.821 -59.25 0.0000
8 O1 Oh S 5 4 3 1.444 112.820 62.20 -0.7220
9 H1O Ho E 8 5 4 0.965 107.671 -41.74 0.4320
10 C3 Cg M 4 3 2 1.569 133.651 -166.33 0.3630
11 H3 H1 E 10 4 3 1.091 109.772 23.93 0.0000
12 C4 Cg 3 10 4 3 1.551 110.614 144.95 0.1550
13 H4 H1 E 12 10 4 1.090 108.392 -65.40 0.0000
14 C5 Cg 3 12 10 4 1.550 111.966 54.12 0.3740
15 H5 H1 E 14 12 10 1.091 109.534 68.96 0.0000
16 C6 Cg 3 14 12 10 1.547 111.895 -52.01 0.2920
17 H6A H1 E 16 14 12 1.091 110.065 -70.83 0.0000
18 H6E H1 E 16 14 12 1.090 109.985 170.44 0.0000
19 O6 Os E 16 14 12 1.484 111.063 49.63 -0.5510
20 O5 Oh S 14 12 10 1.455 108.361 -172.59 -0.7290
21 H5O Ho E 20 14 12 0.962 111.074 69.64 0.4260
22 O4 Os E 12 10 4 1.459 109.947 177.92 -0.4400
23 O3 Os M 10 4 3 1.461 111.127 -95.90 -0.4870
LOOP
O6 C2
DONE
WjD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 31.894 117.352 -130.23 0.1920
5 C1 Cg 3 4 3 2 1.554 16.572 -148.09 0.3890
6 H11 H1 E 5 4 3 1.091 110.219 17.52 0.0000
7 H12 H1 E 5 4 3 1.091 109.769 136.51 0.0000
8 O1 Oh S 5 4 3 1.438 111.155 -103.20 -0.6540
9 H1O Ho E 8 5 4 0.969 105.999 -50.29 0.3800
10 O5 Os M 4 3 2 1.567 99.436 71.06 -0.4100
11 C5 Cg M 10 4 3 1.585 113.292 149.88 0.1900
12 H5 H1 E 11 10 4 1.091 109.254 118.42 0.0000
13 C6 Cg 3 11 10 4 1.542 109.417 -121.68 0.3400
14 H61 H1 E 13 11 10 1.090 110.186 170.13 0.0000
15 H62 H1 E 13 11 10 1.090 110.250 50.63 0.0000
16 O6 Oh S 13 11 10 1.441 110.517 -70.42 -0.7250
17 H6O Ho E 16 13 11 0.959 110.296 -58.30 0.4250
18 C4 Cg M 11 10 4 1.625 104.597 1.92 0.2330
19 H4 H1 E 18 11 10 1.090 107.076 101.60 0.0000
20 O4 Os E 18 11 10 1.458 113.707 -139.62 -0.4510
21 C3 Cg M 18 11 10 1.642 107.375 -13.44 0.3930
22 H3 H1 E 21 18 11 1.091 111.073 142.12 0.0000
23 O3 Os M 21 18 11 1.455 107.927 -98.38 -0.4960
LOOP
C3 C2
DONE
WjU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.483 114.667 -133.47 0.3510
5 C1 Cg 3 4 3 2 1.554 41.375 -67.07 0.3330
6 H11 H1 E 5 4 3 1.090 109.574 170.02 0.0000
7 H12 H1 E 5 4 3 1.090 110.121 -71.39 0.0000
8 O1 Oh S 5 4 3 1.448 111.622 49.66 -0.6970
9 H1O Ho E 8 5 4 0.961 109.656 173.81 0.4150
10 C3 Cg M 4 3 2 1.643 134.152 -137.11 0.2230
11 H3 H1 E 10 4 3 1.090 111.499 28.62 0.0000
12 C4 Cg 3 10 4 3 1.639 106.529 149.37 0.2840
13 H4 H1 E 12 10 4 1.091 107.844 -100.60 0.0000
14 C5 Cg 3 12 10 4 1.619 107.844 15.28 0.1000
15 H5 H1 E 14 12 10 1.089 109.205 -129.69 0.0000
16 C6 Cg 3 14 12 10 1.537 115.282 106.51 0.3490
17 H61 H1 E 16 14 12 1.090 111.054 58.46 0.0000
18 H62 H1 E 16 14 12 1.089 110.316 -62.25 0.0000
19 O6 Oh S 16 14 12 1.435 108.026 178.22 -0.6840
20 H6O Ho E 19 16 14 0.962 107.568 44.32 0.4110
21 O5 Os E 14 12 10 1.585 104.895 -12.75 -0.3890
22 O4 Os E 12 10 4 1.442 112.118 140.35 -0.4410
23 O3 Os M 10 4 3 1.460 110.322 -92.24 -0.4490
LOOP
O5 C2
DONE
WkA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Oh S 9 7 6 1.434 108.908 -64.18 -0.6910
13 H6O Ho E 12 9 7 0.960 109.471 -59.53 0.4220
14 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
15 H4 H1 E 14 7 6 1.091 109.347 173.46 0.0000
16 O4 Os E 14 7 6 1.440 109.315 -68.60 -0.4860
17 C3 Cg M 14 7 6 1.541 113.058 50.90 0.3540
18 H3 H1 E 17 14 7 1.091 110.148 -170.51 0.0000
19 C2 Cg B 17 14 7 1.544 111.196 -48.50 0.2810
20 H2 H1 E 19 17 14 1.091 106.696 -68.80 0.0000
21 O2 Oh S 19 17 14 1.439 110.836 175.80 -0.7160
22 H2O Ho E 21 19 17 0.960 109.409 -65.65 0.4270
23 O3 Os M 17 14 7 1.440 107.217 72.05 -0.5020
LOOP
C2 C1
DONE
WkB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 O2 Oh S 6 4 3 1.462 111.766 18.28 -0.7100
9 H2O Ho E 8 6 4 0.965 108.091 -56.20 0.4260
10 C3 Cg M 6 4 3 1.547 110.415 140.23 0.2530
11 H3 H1 E 10 6 4 1.091 109.195 174.71 0.0000
12 C4 Cg 3 10 6 4 1.545 111.988 53.40 0.2170
13 H4 H1 E 12 10 6 1.091 109.393 -172.98 0.0000
14 C5 Cg 3 12 10 6 1.553 111.117 -52.75 0.3030
15 H5 H1 E 14 12 10 1.092 107.789 -66.12 0.0000
16 C6 Cg 3 14 12 10 1.542 113.025 175.07 0.2590
17 H61 H1 E 16 14 12 1.090 110.096 53.77 0.0000
18 H62 H1 E 16 14 12 1.090 110.533 -65.83 0.0000
19 O6 Oh S 16 14 12 1.441 110.162 173.71 -0.6700
20 H6O Ho E 19 16 14 0.962 108.273 57.74 0.4160
21 O5 Os E 14 12 10 1.499 110.891 51.77 -0.5140
22 O4 Os E 12 10 6 1.455 108.780 69.68 -0.4690
23 O3 Os M 10 6 4 1.452 110.271 -66.88 -0.4620
LOOP
O5 C1
DONE
WlA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Oh S 9 7 6 1.434 108.858 -64.45 -0.6840
13 H6O Ho E 12 9 7 0.960 109.466 -59.52 0.4180
14 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
15 H4 H1 E 14 7 6 1.091 109.671 175.54 0.0000
16 O4 Os E 14 7 6 1.445 108.372 -65.83 -0.4310
17 C3 Cg M 14 7 6 1.544 110.422 54.45 0.2530
18 H3 H1 E 17 14 7 1.091 108.559 66.00 0.0000
19 C2 Cg B 17 14 7 1.541 111.714 -54.48 0.3390
20 H2 H1 E 19 17 14 1.091 108.995 -66.63 0.0000
21 O2 Oh S 19 17 14 1.440 110.049 175.31 -0.7240
22 H2O Ho E 21 19 17 0.960 109.415 -62.60 0.4310
23 O3 Os M 17 14 7 1.440 109.147 -176.39 -0.4620
LOOP
C2 C1
DONE
WlB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 O2 Oh S 6 4 3 1.459 109.860 20.73 -0.7260
9 H2O Ho E 8 6 4 0.965 107.724 -55.10 0.4320
10 C3 Cg M 6 4 3 1.547 110.130 140.44 0.2590
11 H3 H1 E 10 6 4 1.092 108.676 -66.21 0.0000
12 C4 Cg 3 10 6 4 1.546 112.254 53.31 0.2030
13 H4 H1 E 12 10 6 1.091 109.260 -175.38 0.0000
14 C5 Cg 3 12 10 6 1.545 110.517 -55.04 0.1400
15 H5 H1 E 14 12 10 1.092 107.648 -63.90 0.0000
16 C6 Cg 3 14 12 10 1.539 113.155 176.88 0.3190
17 H61 H1 E 16 14 12 1.090 110.337 53.86 0.0000
18 H62 H1 E 16 14 12 1.091 110.848 -66.38 0.0000
19 O6 Oh S 16 14 12 1.437 109.027 173.44 -0.6930
20 H6O Ho E 19 16 14 0.961 107.830 58.33 0.4190
21 O5 Os E 14 12 10 1.495 110.103 53.62 -0.4020
22 O4 Os E 12 10 6 1.449 109.638 65.91 -0.4210
23 O3 Os M 10 6 4 1.455 110.815 175.60 -0.4550
LOOP
O5 C1
DONE
WmA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Oh S 9 7 6 1.444 110.952 -70.49 -0.6880
13 H6O Ho E 12 9 7 0.960 109.923 -72.72 0.4220
14 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
15 H4 H1 E 14 7 6 1.091 109.924 -69.18 0.0000
16 O4 Os E 14 7 6 1.452 108.824 171.70 -0.4890
17 C3 Cg M 14 7 6 1.549 110.605 52.31 0.2520
18 H3 H1 E 17 14 7 1.092 108.663 62.49 0.0000
19 C2 Cg B 17 14 7 1.545 111.609 -57.15 0.2450
20 H2 H1 E 19 17 14 1.091 109.207 175.17 0.0000
21 O2 Oh S 19 17 14 1.459 109.731 -66.73 -0.7170
22 H2O Ho E 21 19 17 0.965 108.621 -45.43 0.4460
23 O3 Os M 17 14 7 1.461 110.813 -179.59 -0.4590
LOOP
C2 C1
DONE
WmB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 O2 Oh S 6 4 3 1.459 109.767 -99.50 -0.6640
9 H2O Ho E 8 6 4 0.964 107.524 55.50 0.4310
10 C3 Cg M 6 4 3 1.547 107.300 140.06 0.2630
11 H3 H1 E 10 6 4 1.092 107.890 -58.13 0.0000
12 C4 Cg 3 10 6 4 1.553 110.623 60.52 0.3490
13 H4 H1 E 12 10 6 1.091 109.997 63.90 0.0000
14 C5 Cg 3 12 10 6 1.550 110.419 -57.43 0.2060
15 H5 H1 E 14 12 10 1.092 108.705 -67.76 0.0000
16 C6 Cg 3 14 12 10 1.539 111.873 172.30 0.2730
17 H61 H1 E 16 14 12 1.090 110.558 59.60 0.0000
18 H62 H1 E 16 14 12 1.091 110.262 -60.18 0.0000
19 O6 Oh S 16 14 12 1.439 109.850 179.68 -0.6800
20 H6O Ho E 19 16 14 0.962 108.414 55.86 0.4190
21 O5 Os E 14 12 10 1.498 110.843 50.51 -0.3930
22 O4 Os E 12 10 6 1.452 109.624 -176.73 -0.4970
23 O3 Os M 10 6 4 1.457 110.746 -174.70 -0.4560
LOOP
O5 C1
DONE
WnA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Oh S 9 7 6 1.434 109.011 -63.74 -0.6630
13 H6O Ho E 12 9 7 0.960 109.493 -59.88 0.3960
14 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
15 H4 H1 E 14 7 6 1.091 108.424 -67.01 0.0000
16 O4 Os E 14 7 6 1.439 109.651 175.64 -0.4830
17 C3 Cg M 14 7 6 1.543 113.659 53.11 0.3300
18 H3 H1 E 17 14 7 1.091 110.022 -173.93 0.0000
19 C2 Cg B 17 14 7 1.541 108.602 -53.52 0.2280
20 H2 H1 E 19 17 14 1.091 106.837 -65.32 0.0000
21 O2 Oh S 19 17 14 1.439 110.703 179.06 -0.6680
22 H2O Ho E 21 19 17 0.960 109.386 -64.03 0.4150
23 O3 Os M 17 14 7 1.445 109.798 66.31 -0.4670
LOOP
C2 C1
DONE
WnB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 O2 Oh S 6 4 3 1.458 111.714 19.64 -0.7030
9 H2O Ho E 8 6 4 0.966 108.382 -58.42 0.4240
10 C3 Cg M 6 4 3 1.544 110.844 141.66 0.2340
11 H3 H1 E 10 6 4 1.092 109.398 175.17 0.0000
12 C4 Cg 3 10 6 4 1.546 109.920 54.68 0.2860
13 H4 H1 E 12 10 6 1.091 108.699 62.12 0.0000
14 C5 Cg 3 12 10 6 1.547 111.303 -57.50 0.1980
15 H5 H1 E 14 12 10 1.091 109.233 -61.92 0.0000
16 C6 Cg 3 14 12 10 1.541 112.741 177.70 0.3130
17 H61 H1 E 16 14 12 1.090 110.689 61.33 0.0000
18 H62 H1 E 16 14 12 1.090 110.338 -58.85 0.0000
19 O6 Oh S 16 14 12 1.438 109.178 -178.76 -0.6890
20 H6O Ho E 19 16 14 0.962 107.694 47.58 0.4180
21 O5 Os E 14 12 10 1.500 108.536 56.16 -0.5070
22 O4 Os E 12 10 6 1.447 109.608 179.74 -0.4710
23 O3 Os M 10 6 4 1.458 109.599 -65.98 -0.4200
LOOP
O5 C1
DONE
WoA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.463 117.245 -129.47 0.3050
5 H1 H2 E 4 3 2 1.090 34.578 150.44 0.0000
6 O5 Os M 4 3 2 1.471 105.819 50.53 -0.4240
7 C5 Cg M 6 4 3 1.515 118.146 -155.23 0.0540
8 H5 H1 E 7 6 4 1.092 107.817 65.63 0.0000
9 C6 C B 7 6 4 1.566 116.761 -173.10 0.8960
10 O6B O2 E 9 7 6 1.255 117.285 49.97 -0.8220
11 O6A O2 E 9 7 6 1.252 116.529 -135.07 -0.8220
12 C4 Cg M 7 6 4 1.540 109.060 -52.35 0.2670
13 H4 H1 E 12 7 6 1.091 109.560 176.88 0.0000
14 O4 Os E 12 7 6 1.455 107.562 -64.91 -0.4690
15 C3 Cg M 12 7 6 1.551 109.735 56.67 0.2510
16 H3 H1 E 15 12 7 1.092 108.010 56.95 0.0000
17 C2 Cg B 15 12 7 1.548 110.284 -61.11 0.4130
18 H2 H1 E 17 15 12 1.091 109.347 -64.48 0.0000
19 O2 Oh S 17 15 12 1.464 110.220 176.88 -0.7710
20 H2O Ho E 19 17 15 0.966 105.614 -87.16 0.4310
21 O3 Os M 15 12 7 1.460 111.816 174.01 -0.5030
LOOP
C2 C1
DONE
WoB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.219 115.043 -133.41 0.3010
5 H1 H2 E 4 3 2 1.091 63.366 -68.89 0.0000
6 C2 Cg M 4 3 2 1.559 138.871 -159.91 0.3830
7 H2 H1 E 6 4 3 1.091 109.614 -94.43 0.0000
8 O2 Oh S 6 4 3 1.460 107.566 23.78 -0.7320
9 H2O Ho E 8 6 4 0.962 106.473 -54.35 0.4010
10 C3 Cg M 6 4 3 1.553 110.962 144.51 0.2590
11 H3 H1 E 10 6 4 1.092 108.228 -67.30 0.0000
12 C4 Cg 3 10 6 4 1.548 111.733 51.56 0.2600
13 H4 H1 E 12 10 6 1.091 108.447 -176.52 0.0000
14 C5 Cg 3 12 10 6 1.538 110.856 -55.81 0.0490
15 H5 H1 E 14 12 10 1.092 107.135 -59.52 0.0000
16 C6 C B 14 12 10 1.574 110.283 -172.73 0.8380
17 O6A O2 E 16 14 12 1.254 118.706 -136.36 -0.7940
18 O6B O2 E 16 14 12 1.256 116.247 49.13 -0.7940
19 O5 Os E 14 12 10 1.506 109.239 55.41 -0.4140
20 O4 Os E 12 10 6 1.450 109.430 65.27 -0.4530
21 O3 Os M 10 6 4 1.466 112.472 174.09 -0.4980
LOOP
O5 C1
DONE
WpA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 38.107 125.493 -138.65 0.4170
5 C1 Cg 3 4 3 2 1.541 32.225 137.95 0.3270
6 H11 H1 E 5 4 3 1.091 110.426 -89.86 0.0000
7 H12 H1 E 5 4 3 1.091 110.581 29.73 0.0000
8 O1 Oh S 5 4 3 1.436 110.176 150.08 -0.6440
9 H1O Ho E 8 5 4 0.960 109.427 -60.11 0.3930
10 O6 Os M 4 3 2 1.488 134.068 95.67 -0.5980
11 C6 Cg M 10 4 3 1.482 118.332 -161.65 0.3930
12 H6A H1 E 11 10 4 1.091 109.250 66.45 0.0000
13 H6E H1 E 11 10 4 1.090 109.091 -175.40 0.0000
14 C5 Cg M 11 10 4 1.536 109.077 -54.75 0.1530
15 H5 H1 E 14 11 10 1.091 108.321 -65.28 0.0000
16 O5 Oh S 14 11 10 1.437 108.893 177.77 -0.6930
17 H5O Ho E 16 14 11 0.960 109.495 178.45 0.4280
18 C4 Cg M 14 11 10 1.541 113.177 55.00 0.3940
19 H4 H1 E 18 14 11 1.091 110.012 -174.96 0.0000
20 O4 Os E 18 14 11 1.445 109.714 65.32 -0.4640
21 C3 Cg M 18 14 11 1.543 108.511 -54.52 0.1500
22 H3 H1 E 21 18 14 1.091 106.088 -66.29 0.0000
23 O3 Os M 21 18 14 1.441 110.125 178.95 -0.4500
LOOP
C3 C2
DONE
WpB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 33.269 115.092 -133.40 0.4070
5 C1 Cg 3 4 3 2 1.572 55.875 -67.58 0.3790
6 H11 H1 E 5 4 3 1.088 110.382 170.92 0.0000
7 H12 H1 E 5 4 3 1.091 110.003 -70.52 0.0000
8 O1 Oh S 5 4 3 1.452 112.720 50.63 -0.7200
9 H1O Ho E 8 5 4 0.961 109.403 178.93 0.4100
10 C3 Cg M 4 3 2 1.562 136.654 -159.34 0.1800
11 H3 H1 E 10 4 3 1.092 107.885 -98.54 0.0000
12 C4 Cg 3 10 4 3 1.548 113.222 144.34 0.3280
13 H4 H1 E 12 10 4 1.091 109.035 170.62 0.0000
14 C5 Cg 3 12 10 4 1.546 111.648 50.00 0.1880
15 H5 H1 E 14 12 10 1.091 108.531 65.60 0.0000
16 C6 Cg 3 14 12 10 1.540 111.137 -53.12 0.3640
17 H6A H1 E 16 14 12 1.091 110.957 -65.43 0.0000
18 H6E H1 E 16 14 12 1.090 110.095 174.89 0.0000
19 O6 Os E 16 14 12 1.483 108.996 55.37 -0.5400
20 O5 Oh S 14 12 10 1.454 110.567 -176.42 -0.7050
21 H5O Ho E 20 14 12 0.967 108.400 37.89 0.4330
22 O4 Os E 12 10 4 1.453 109.303 -71.38 -0.4650
23 O3 Os M 10 4 3 1.462 112.137 18.93 -0.4530
LOOP
O6 C2
DONE
WpD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 37.358 125.057 -139.13 0.3240
5 C1 Cg 3 4 3 2 1.533 11.296 11.27 0.2860
6 H11 H1 E 5 4 3 1.091 110.553 139.19 0.0000
7 H12 H1 E 5 4 3 1.091 110.436 -100.78 0.0000
8 O1 Oh S 5 4 3 1.434 109.386 19.30 -0.6910
9 H1O Ho E 8 5 4 0.960 109.478 -179.30 0.4190
10 O5 Os M 4 3 2 1.578 107.245 118.43 -0.4530
11 C5 Cg M 10 4 3 1.580 112.574 125.89 0.1940
12 H5 H1 E 11 10 4 1.092 109.225 119.03 0.0000
13 C6 Cg 3 11 10 4 1.529 108.517 -121.64 0.2910
14 H61 H1 E 13 11 10 1.090 110.281 176.00 0.0000
15 H62 H1 E 13 11 10 1.091 110.695 55.73 0.0000
16 O6 Oh S 13 11 10 1.433 108.604 -64.48 -0.6950
17 H6O Ho E 16 13 11 0.960 109.454 -59.02 0.4110
18 C4 Cg M 11 10 4 1.626 105.532 -0.49 0.2820
19 H4 H1 E 18 11 10 1.091 112.773 -134.13 0.0000
20 O4 Os E 18 11 10 1.437 105.885 105.93 -0.4560
21 C3 Cg M 18 11 10 1.629 106.867 -10.85 0.3340
22 H3 H1 E 21 18 11 1.090 106.567 -97.07 0.0000
23 O3 Os M 21 18 11 1.441 113.670 145.25 -0.4400
LOOP
C3 C2
DONE
WpU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C2 Cg M 3 2 1 39.007 122.119 -140.40 0.2880
5 C1 Cg 3 4 3 2 1.541 49.994 0.67 0.3650
6 H11 H1 E 5 4 3 1.090 109.918 -145.53 0.0000
7 H12 H1 E 5 4 3 1.091 110.660 -26.12 0.0000
8 O1 Oh S 5 4 3 1.437 110.203 94.77 -0.6870
9 H1O Ho E 8 5 4 0.960 109.513 -179.45 0.4180
10 C3 Cg M 4 3 2 1.631 108.524 -109.61 0.3340
11 H3 H1 E 10 4 3 1.091 109.543 -74.21 0.0000
12 C4 Cg 3 10 4 3 1.631 107.756 169.64 0.1920
13 H4 H1 E 12 10 4 1.091 111.099 133.10 0.0000
14 C5 Cg 3 12 10 4 1.623 107.338 10.25 0.3690
15 H5 H1 E 14 12 10 1.092 111.285 -129.81 0.0000
16 C6 Cg 3 14 12 10 1.529 112.798 106.76 0.2150
17 H61 H1 E 16 14 12 1.090 110.301 60.35 0.0000
18 H62 H1 E 16 14 12 1.091 110.659 -59.91 0.0000
19 O6 Oh S 16 14 12 1.433 108.649 179.93 -0.6780
20 H6O Ho E 19 16 14 0.960 109.500 -58.51 0.4210
21 O5 Os E 14 12 10 1.576 105.494 -11.41 -0.4800
22 O4 Os E 12 10 4 1.438 110.850 -105.23 -0.4670
23 O3 Os M 10 4 3 1.441 112.255 44.83 -0.4840
LOOP
O5 C2
DONE
WqA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.363 114.978 -133.03 0.4650
5 H1 H1 E 4 3 2 1.090 121.763 32.99 0.0000
6 O5 Os M 4 3 2 1.467 70.798 -67.46 -0.5590
7 C5 Cg M 6 4 3 1.487 117.291 -66.87 0.2340
8 H5 H1 E 7 6 4 1.092 108.269 65.21 0.0000
9 C6 Cg 3 7 6 4 1.531 106.976 -178.31 0.0600
10 H61 Hc E 9 7 6 1.091 111.279 -57.12 0.0000
11 H62 Hc E 9 7 6 1.091 111.508 -176.59 0.0000
12 H63 Hc E 9 7 6 1.091 111.703 63.05 0.0000
13 C4 Cg M 7 6 4 1.546 110.112 -53.83 0.2080
14 H4 H1 E 13 7 6 1.092 109.076 -69.57 0.0000
15 O4 Os E 13 7 6 1.456 108.902 171.97 -0.4550
16 C3 Cg M 13 7 6 1.550 111.848 51.22 0.3120
17 H3 H1 E 16 13 7 1.092 109.484 68.56 0.0000
18 C2 Cg B 16 13 7 1.550 112.115 -52.85 0.2810
19 H2 H1 E 18 16 13 1.091 108.369 -65.92 0.0000
20 O2 Oh S 18 16 13 1.464 112.236 175.32 -0.6950
21 H2O Ho E 20 18 16 0.963 109.360 -65.35 0.4220
22 O3 Os M 16 13 7 1.451 107.191 -173.73 -0.4670
LOOP
C2 C1
DONE
WqB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.342 114.850 -133.09 0.3910
5 H1 H1 E 4 3 2 1.091 66.637 -64.20 0.0000
6 C2 Cg M 4 3 2 1.554 136.503 -160.98 0.3230
7 H2 H1 E 6 4 3 1.092 109.276 -93.94 0.0000
8 O2 Oh S 6 4 3 1.460 110.327 25.57 -0.7130
9 H2O Ho E 8 6 4 0.966 107.987 -53.85 0.4200
10 C3 Cg M 6 4 3 1.546 109.870 145.94 0.3000
11 H3 H1 E 10 6 4 1.092 108.841 -69.08 0.0000
12 C4 Cg 3 10 6 4 1.549 112.577 51.86 0.2500
13 H4 H1 E 12 10 6 1.092 109.316 68.82 0.0000
14 C5 Cg 3 12 10 6 1.548 111.410 -52.00 0.2710
15 H5 H1 E 14 12 10 1.092 109.263 -66.11 0.0000
16 C6 Cg 3 14 12 10 1.530 114.065 172.27 0.0480
17 H61 Hc E 16 14 12 1.091 111.262 -178.50 0.0000
18 H62 Hc E 16 14 12 1.091 111.509 62.03 0.0000
19 H63 Hc E 16 14 12 1.091 111.710 -58.34 0.0000
20 O5 Os E 14 12 10 1.486 109.336 52.29 -0.5350
21 O4 Os E 12 10 6 1.451 109.144 -172.28 -0.4860
22 O3 Os M 10 6 4 1.454 109.133 172.74 -0.4630
LOOP
O5 C1
DONE
WrA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.108 125.437 -138.65 0.4880
5 H1 H2 E 4 3 2 1.090 34.452 139.99 0.0000
6 O5 Os M 4 3 2 1.483 136.062 95.09 -0.5610
7 C5 Cg M 6 4 3 1.483 117.768 -164.72 0.3770
8 H5A H1 E 7 6 4 1.091 109.204 66.57 0.0000
9 H5E H1 E 7 6 4 1.090 109.080 -175.36 0.0000
10 C4 Cg M 7 6 4 1.537 109.246 -54.64 0.1220
11 H4 H1 E 10 7 6 1.091 108.264 -65.95 0.0000
12 O4 Os E 10 7 6 1.437 108.837 177.17 -0.4380
13 C3 Cg M 10 7 6 1.542 113.340 54.31 0.3450
14 H3 H1 E 13 10 7 1.091 110.108 -174.25 0.0000
15 C2 Cg B 13 10 7 1.542 108.334 -53.79 0.2530
16 H2 H1 E 15 13 10 1.091 106.798 -65.63 0.0000
17 O2 Oh S 15 13 10 1.439 110.674 178.86 -0.7110
18 H2O Ho E 17 15 13 0.960 109.367 -64.08 0.4190
19 O3 Os M 13 10 7 1.445 109.754 65.90 -0.4880
LOOP
C2 C1
DONE
WrB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.205 115.033 -133.24 0.4810
5 H1 H2 E 4 3 2 1.090 58.746 -70.52 0.0000
6 C2 Cg M 4 3 2 1.563 140.544 -157.28 0.3850
7 H2 H1 E 6 4 3 1.092 108.121 -109.69 0.0000
8 O2 Oh S 6 4 3 1.459 113.253 8.58 -0.7320
9 H2O Ho E 8 6 4 0.963 108.588 -45.68 0.4140
10 C3 Cg M 6 4 3 1.550 109.259 132.95 0.2030
11 H3 H1 E 10 6 4 1.091 109.709 178.53 0.0000
12 C4 Cg 3 10 6 4 1.548 108.635 58.66 0.2360
13 H4 H1 E 12 10 6 1.091 108.914 60.36 0.0000
14 C5 Cg 3 12 10 6 1.549 110.878 -58.91 0.3350
15 H5A H1 E 14 12 10 1.091 110.751 -65.58 0.0000
16 H5E H1 E 14 12 10 1.090 110.011 175.14 0.0000
17 O5 Os E 14 12 10 1.488 109.926 55.20 -0.5760
18 O4 Os E 12 10 6 1.453 110.299 178.35 -0.4780
19 O3 Os M 10 6 4 1.460 111.251 -60.93 -0.4620
LOOP
O5 C1
DONE
WtA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Oh S 9 7 6 1.434 108.863 -64.48 -0.6690
13 H6O Ho E 12 9 7 0.960 109.462 -59.57 0.4010
14 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
15 H4 H1 E 14 7 6 1.091 109.540 173.93 0.0000
16 O4 Os E 14 7 6 1.443 109.067 -67.36 -0.5080
17 C3 Cg M 14 7 6 1.543 109.739 53.52 0.1240
18 H3 H1 E 17 14 7 1.091 106.734 65.74 0.0000
19 C2 Cg B 17 14 7 1.545 114.910 -52.34 0.2450
20 H2 H1 E 19 17 14 1.091 109.723 171.12 0.0000
21 O2 Oh S 19 17 14 1.440 110.347 -69.94 -0.6550
22 H2O Ho E 21 19 17 0.960 109.490 -179.95 0.4360
23 O3 Os M 17 14 7 1.439 110.707 -178.75 -0.4390
LOOP
C2 C1
DONE
WtB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 O2 Oh S 6 4 3 1.444 109.193 -100.97 -0.6370
9 H2O Ho E 8 6 4 0.960 109.413 58.90 0.3970
10 C3 Cg M 6 4 3 1.545 108.990 139.13 0.1740
11 H3 H1 E 10 6 4 1.091 106.777 -66.52 0.0000
12 C4 Cg 3 10 6 4 1.547 114.890 51.64 0.3140
13 H4 H1 E 12 10 6 1.091 109.570 -171.49 0.0000
14 C5 Cg 3 12 10 6 1.547 110.218 -50.96 0.0310
15 H5 H1 E 14 12 10 1.092 107.394 -65.47 0.0000
16 C6 Cg 3 14 12 10 1.535 115.137 174.64 0.3490
17 H61 H1 E 16 14 12 1.090 110.278 53.24 0.0000
18 H62 H1 E 16 14 12 1.091 110.886 -67.01 0.0000
19 O6 Oh S 16 14 12 1.434 108.837 172.73 -0.6660
20 H6O Ho E 19 16 14 0.960 109.430 59.34 0.4060
21 O5 Os E 14 12 10 1.487 109.426 51.66 -0.3540
22 O4 Os E 12 10 6 1.443 110.169 69.26 -0.4070
23 O3 Os M 10 6 4 1.439 110.677 177.92 -0.4470
LOOP
O5 C1
DONE
WuA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.331 115.066 -133.04 0.3630
5 H1 H2 E 4 3 2 1.090 112.585 40.61 0.0000
6 O5 Os M 4 3 2 1.464 75.208 -64.60 -0.5150
7 C5 Cg M 6 4 3 1.503 115.778 174.97 0.2320
8 H5 H1 E 7 6 4 1.091 106.633 176.67 0.0000
9 C6 C B 7 6 4 1.591 118.545 -64.62 0.6970
10 O6B O2 E 9 7 6 1.255 117.111 177.25 -0.7570
11 O6A O2 E 9 7 6 1.252 118.306 0.19 -0.7570
12 C4 Cg M 7 6 4 1.541 106.777 61.95 0.2230
13 H4 H1 E 12 7 6 1.092 108.348 60.65 0.0000
14 O4 Os E 12 7 6 1.461 110.851 178.69 -0.5080
15 C3 Cg M 12 7 6 1.551 110.331 -57.99 0.4170
16 H3 H1 E 15 12 7 1.092 108.572 -66.35 0.0000
17 C2 Cg B 15 12 7 1.555 113.490 54.77 0.2590
18 H2 H1 E 17 15 12 1.092 108.782 71.56 0.0000
19 O2 Oh S 17 15 12 1.469 110.384 -169.42 -0.6850
20 H2O Ho E 19 17 15 0.960 110.184 53.77 0.3850
21 O3 Os M 15 12 7 1.454 107.203 176.93 -0.5480
LOOP
C2 C1
DONE
WuB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.227 114.589 -133.46 0.2780
5 H1 H2 E 4 3 2 1.090 72.253 -57.04 0.0000
6 C2 Cg M 4 3 2 1.557 131.485 -157.03 0.2890
7 H2 H1 E 6 4 3 1.091 107.118 137.49 0.0000
8 O2 Oh S 6 4 3 1.455 112.599 20.48 -0.6800
9 H2O Ho E 8 6 4 0.964 105.470 -160.22 0.4220
10 C3 Cg M 6 4 3 1.545 111.752 -104.72 0.2860
11 H3 H1 E 10 6 4 1.091 110.248 64.55 0.0000
12 C4 Cg 3 10 6 4 1.552 109.635 -56.61 0.3080
13 H4 H1 E 12 10 6 1.092 107.907 -61.83 0.0000
14 C5 Cg 3 12 10 6 1.546 112.015 56.37 0.1940
15 H5 H1 E 14 12 10 1.091 107.278 -167.70 0.0000
16 C6 C B 14 12 10 1.581 111.637 77.65 0.7500
17 O6A O2 E 16 14 12 1.252 117.516 -129.70 -0.7830
18 O6B O2 E 16 14 12 1.255 117.682 48.62 -0.7830
19 O5 Os E 14 12 10 1.512 108.685 -52.87 -0.4300
20 O4 Os E 12 10 6 1.456 110.245 -178.60 -0.5170
21 O3 Os M 10 6 4 1.460 109.228 -175.94 -0.5280
LOOP
O5 C1
DONE
WvA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.287 114.935 -133.03 0.3890
5 H1 H2 E 4 3 2 1.090 123.196 38.74 0.0000
6 O5 Os M 4 3 2 1.470 74.128 -62.95 -0.4660
7 C5 Cg M 6 4 3 1.497 117.776 -69.87 0.1120
8 H5 H1 E 7 6 4 1.091 107.067 65.15 0.0000
9 C6 Cg 3 7 6 4 1.543 110.655 -179.51 0.3620
10 H61 H1 E 9 7 6 1.090 109.608 -176.18 0.0000
11 H62 H1 E 9 7 6 1.090 110.167 -57.43 0.0000
12 O6 Oh S 9 7 6 1.435 111.052 63.47 -0.7110
13 H6O Ho E 12 9 7 0.972 106.687 28.27 0.4240
14 C4 Cg M 7 6 4 1.548 110.914 -51.03 0.3260
15 H4 H1 E 14 7 6 1.091 109.088 172.26 0.0000
16 O4 Os E 14 7 6 1.450 110.237 -68.94 -0.4530
17 C3 Cg M 14 7 6 1.547 111.081 51.89 0.1760
18 H3 H1 E 17 14 7 1.091 107.961 63.63 0.0000
19 C2 Cg B 17 14 7 1.551 111.657 -55.51 0.3990
20 H2 H1 E 19 17 14 1.092 107.862 -63.61 0.0000
21 N2 Ng B 19 17 14 1.483 110.775 178.49 -0.5950
22 H2N H E 21 19 17 1.007 117.335 -40.12 0.2380
23 C2N C B 21 19 17 1.336 122.570 153.82 0.6250
24 O2N O E 23 21 19 1.227 121.897 -4.65 -0.6050
25 CME Cg 3 23 21 19 1.541 116.317 175.68 0.0320
26 H1M Hc E 25 23 21 1.091 109.644 69.76 0.0000
27 H2M Hc E 25 23 21 1.091 110.181 -170.34 0.0000
28 H3M Hc E 25 23 21 1.091 110.069 -50.52 0.0000
29 O3 Os M 17 14 7 1.462 109.029 179.93 -0.4470
LOOP
C2 C1
DONE
WvB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.231 114.893 -133.39 0.3050
5 H1 H2 E 4 3 2 1.091 65.505 -67.74 0.0000
6 C2 Cg M 4 3 2 1.568 137.512 -160.40 0.5440
7 H2 H1 E 6 4 3 1.091 107.972 -101.23 0.0000
8 N2 Ng B 6 4 3 1.481 111.069 18.97 -0.6860
9 H2N H E 8 6 4 1.005 118.080 45.86 0.2540
10 C2N C B 8 6 4 1.336 122.747 -132.36 0.5860
11 CME Cg 3 10 8 6 1.543 116.272 -179.61 0.0560
12 H1M Hc E 11 10 8 1.091 109.419 84.79 0.0000
13 H2M Hc E 11 10 8 1.091 109.982 -155.53 0.0000
14 H3M Hc E 11 10 8 1.092 110.645 -35.56 0.0000
15 O2N O E 10 8 6 1.227 122.402 -0.23 -0.5640
16 C3 Cg M 6 4 3 1.558 108.807 140.94 0.1520
17 H3 H1 E 16 6 4 1.092 108.105 -63.18 0.0000
18 C4 Cg 3 16 6 4 1.544 111.369 55.44 0.2530
19 H4 H1 E 18 16 6 1.091 109.237 -177.04 0.0000
20 C5 Cg 3 18 16 6 1.544 111.265 -56.32 0.1360
21 H5 H1 E 20 18 16 1.092 107.572 -64.67 0.0000
22 C6 Cg 3 20 18 16 1.539 112.869 176.15 0.3530
23 H61 H1 E 22 20 18 1.091 110.331 53.32 0.0000
24 H62 H1 E 22 20 18 1.090 110.929 -67.00 0.0000
25 O6 Oh S 22 20 18 1.436 108.896 172.76 -0.7140
26 H6O Ho E 25 22 20 0.962 107.704 58.75 0.4270
27 O5 Os E 20 18 16 1.495 110.300 52.85 -0.4080
28 O4 Os E 18 16 6 1.445 108.904 64.66 -0.4440
29 O3 Os M 16 6 4 1.462 113.219 178.26 -0.4440
LOOP
O5 C1
DONE
WwA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.378 115.021 -132.94 0.4621
5 H1 H2 E 4 3 2 1.090 120.003 38.85 0.0000
6 O5 Os M 4 3 2 1.469 73.200 -63.39 -0.5415
7 C5 Cg M 6 4 3 1.495 117.898 -69.31 0.2421
8 H5 H1 E 7 6 4 1.092 106.799 68.49 0.0000
9 C6 Cg 3 7 6 4 1.545 109.924 -175.74 0.2995
10 H61 H1 E 9 7 6 1.090 109.924 -166.49 0.0000
11 H62 H1 E 9 7 6 1.090 109.575 -48.28 0.0000
12 O6 Oh S 9 7 6 1.443 112.033 72.71 -0.6618
13 H6O Ho E 12 9 7 0.961 109.813 82.79 0.3959
14 C4 Cg M 7 6 4 1.547 111.317 -49.02 0.3213
15 H4 H1 E 14 7 6 1.091 109.249 -73.83 0.0000
16 O4 Os E 14 7 6 1.458 108.618 168.10 -0.4821
17 C3 Cg M 14 7 6 1.550 112.664 46.63 0.2520
18 H3 H1 E 17 14 7 1.091 108.491 68.12 0.0000
19 C2 Cg B 17 14 7 1.549 112.400 -51.61 0.2750
20 H2 H1 E 19 17 14 1.092 108.473 171.95 0.0000
21 N2 Ng B 19 17 14 1.482 111.789 -70.12 -0.4751
22 H2N H E 21 19 17 1.007 117.562 12.93 0.2142
23 C2N C B 21 19 17 1.336 123.787 -162.76 0.5909
24 O2N O E 23 21 19 1.229 122.265 -3.32 -0.5757
25 CME Cg 3 23 21 19 1.539 115.681 177.62 -0.0340
26 H1M Hc E 25 23 21 1.091 109.868 -60.00 0.0000
27 H2M Hc E 25 23 21 1.091 110.252 -179.93 0.0000
28 H3M Hc E 25 23 21 1.091 109.810 60.19 0.0000
29 O3 Os M 17 14 7 1.455 109.482 -174.62 -0.4768
LOOP
C2 C1
DONE
WwB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.322 114.834 -133.45 0.3870
5 H1 H2 E 4 3 2 1.091 67.634 -69.01 0.0000
6 C2 Cg M 4 3 2 1.557 139.933 -164.47 0.2940
7 H2 H1 E 6 4 3 1.092 107.791 25.05 0.0000
8 N2 Ng B 6 4 3 1.485 112.591 -94.31 -0.5580
9 H2N H E 8 6 4 1.007 117.378 -30.20 0.2650
10 C2N C B 8 6 4 1.337 123.528 147.74 0.5850
11 CME Cg 3 10 8 6 1.544 116.722 -177.13 0.0560
12 H1M Hc E 11 10 8 1.090 109.199 -104.92 0.0000
13 H2M Hc E 11 10 8 1.091 109.840 135.47 0.0000
14 H3M Hc E 11 10 8 1.092 111.211 15.23 0.0000
15 O2N O E 10 8 6 1.229 121.350 4.57 -0.6000
16 C3 Cg M 6 4 3 1.550 108.254 141.57 0.2170
17 H3 H1 E 16 6 4 1.092 107.807 -64.62 0.0000
18 C4 Cg 3 16 6 4 1.551 112.012 54.98 0.2770
19 H4 H1 E 18 16 6 1.092 109.220 68.41 0.0000
20 C5 Cg 3 18 16 6 1.549 111.754 -52.70 0.3210
21 H5 H1 E 20 18 16 1.092 108.891 -67.49 0.0000
22 C6 Cg 3 20 18 16 1.542 112.546 172.10 0.2470
23 H61 H1 E 22 20 18 1.090 110.437 60.16 0.0000
24 H62 H1 E 22 20 18 1.091 110.098 -59.35 0.0000
25 O6 Oh S 22 20 18 1.442 110.379 -179.51 -0.6630
26 H6O Ho E 25 22 20 0.962 108.929 56.35 0.4130
27 O5 Os E 20 18 16 1.498 109.860 50.66 -0.4980
28 O4 Os E 18 16 6 1.447 108.869 -173.07 -0.4980
29 O3 Os M 16 6 4 1.458 111.031 177.66 -0.4390
LOOP
O5 C1
DONE
WxA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.412 115.134 -132.97 0.4820
5 H1 H2 E 4 3 2 1.090 123.148 41.70 0.0000
6 O5 Os M 4 3 2 1.463 72.514 -59.75 -0.5880
7 C5 Cg M 6 4 3 1.489 117.248 -67.03 0.3350
8 H5A H1 E 7 6 4 1.091 108.858 68.16 0.0000
9 H5E H1 E 7 6 4 1.090 108.909 -174.49 0.0000
10 C4 Cg M 7 6 4 1.539 111.025 -53.24 0.2470
11 H4 H1 E 10 7 6 1.091 108.937 -68.60 0.0000
12 O4 Os E 10 7 6 1.453 108.593 173.08 -0.4940
13 C3 Cg M 10 7 6 1.547 110.634 51.97 0.3590
14 H3 H1 E 13 10 7 1.092 109.703 67.85 0.0000
15 C2 Cg B 13 10 7 1.543 112.192 -53.97 0.1970
16 H2 H1 E 15 13 10 1.091 108.478 -65.50 0.0000
17 O2 Oh S 15 13 10 1.464 110.541 176.58 -0.6560
18 H2O Ho E 17 15 13 0.967 109.241 -84.85 0.4090
19 O3 Os M 13 10 7 1.451 108.617 -173.43 -0.4850
LOOP
C2 C1
DONE
WxB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.464 114.825 -132.75 0.2480
5 H1 H2 E 4 3 2 1.091 66.134 -66.21 0.0000
6 C2 Cg M 4 3 2 1.557 136.744 -161.60 0.4250
7 H2 H1 E 6 4 3 1.092 109.351 -93.35 0.0000
8 O2 Oh S 6 4 3 1.452 109.095 25.68 -0.6990
9 H2O Ho E 8 6 4 0.965 106.939 -49.61 0.3980
10 C3 Cg M 6 4 3 1.547 111.138 145.56 0.2280
11 H3 H1 E 10 6 4 1.092 109.005 -68.97 0.0000
12 C4 Cg 3 10 6 4 1.546 111.370 51.34 0.2860
13 H4 H1 E 12 10 6 1.091 109.653 67.94 0.0000
14 C5 Cg 3 12 10 6 1.541 111.571 -53.00 0.3030
15 H5A H1 E 14 12 10 1.092 110.518 -66.11 0.0000
16 H5E H1 E 14 12 10 1.090 110.176 174.39 0.0000
17 O5 Os E 14 12 10 1.482 109.795 54.26 -0.4470
18 O4 Os E 12 10 6 1.447 109.213 -172.90 -0.4870
19 O3 Os M 10 6 4 1.458 109.994 172.23 -0.4490
LOOP
O5 C1
DONE
WyA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.337 115.005 -132.87 0.4680
5 H1 H2 E 4 3 2 1.090 120.341 36.84 0.0000
6 O5 Os M 4 3 2 1.463 68.163 -62.20 -0.5680
7 C5 Cg M 6 4 3 1.500 118.098 -74.28 0.2460
8 H5 H1 E 7 6 4 1.092 107.019 68.26 0.0000
9 C6 Cg 3 7 6 4 1.544 110.054 -175.47 0.3280
10 H61 H1 E 9 7 6 1.090 109.603 -54.04 0.0000
11 H62 H1 E 9 7 6 1.090 110.073 -172.40 0.0000
12 O6 Oh S 9 7 6 1.444 111.701 66.58 -0.6880
13 H6O Ho E 12 9 7 0.960 109.460 -179.56 0.4210
14 C4 Cg M 7 6 4 1.544 111.305 -49.64 0.3220
15 H4 H1 E 14 7 6 1.091 109.775 -72.41 0.0000
16 O4 Os E 14 7 6 1.448 108.615 168.54 -0.4780
17 C3 Cg M 14 7 6 1.546 112.523 49.14 0.1650
18 H3 H1 E 17 14 7 1.092 109.255 68.91 0.0000
19 C2 Cg B 17 14 7 1.547 112.211 -51.74 0.2450
20 H2 H1 E 19 17 14 1.092 107.659 -66.49 0.0000
21 N2 Ng B 19 17 14 1.486 111.285 175.94 -0.5520
22 H2N H E 21 19 17 1.009 115.982 -94.71 0.2360
23 C2N C B 21 19 17 1.338 124.714 81.84 0.5880
24 O2N O E 23 21 19 1.228 121.379 -4.88 -0.5790
25 CME Cg 3 23 21 19 1.544 117.110 175.73 0.0630
26 H1M Hc E 25 23 21 1.090 109.379 118.32 0.0000
27 H2M Hc E 25 23 21 1.091 109.387 -122.31 0.0000
28 H3M Hc E 25 23 21 1.092 111.363 -2.06 0.0000
29 O3 Os M 17 14 7 1.457 108.091 -173.19 -0.4110
LOOP
C2 C1
DONE
WyB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.305 114.875 -133.41 0.2870
5 H1 H2 E 4 3 2 1.091 64.963 -66.48 0.0000
6 C2 Cg M 4 3 2 1.566 139.050 -158.60 0.4800
7 H2 H1 E 6 4 3 1.092 107.602 -101.85 0.0000
8 N2 Ng B 6 4 3 1.484 111.108 18.10 -0.7220
9 H2N H E 8 6 4 1.006 117.592 43.53 0.3000
10 C2N C B 8 6 4 1.336 123.143 -126.00 0.6480
11 CME Cg 3 10 8 6 1.542 116.434 175.43 0.0340
12 H1M Hc E 11 10 8 1.091 109.335 82.58 0.0000
13 H2M Hc E 11 10 8 1.091 110.076 -157.79 0.0000
14 H3M Hc E 11 10 8 1.092 110.630 -37.74 0.0000
15 O2N O E 10 8 6 1.226 122.116 -6.61 -0.5760
16 C3 Cg M 6 4 3 1.555 109.532 140.96 0.1800
17 H3 H1 E 16 6 4 1.092 108.635 -66.15 0.0000
18 C4 Cg 3 16 6 4 1.547 110.847 53.41 0.3020
19 H4 H1 E 18 16 6 1.092 109.529 65.76 0.0000
20 C5 Cg 3 18 16 6 1.542 111.743 -55.82 0.2080
21 H5 H1 E 20 18 16 1.092 109.079 -62.53 0.0000
22 C6 Cg 3 20 18 16 1.540 112.556 176.83 0.2890
23 H61 H1 E 22 20 18 1.090 110.526 60.82 0.0000
24 H62 H1 E 22 20 18 1.091 110.298 -59.01 0.0000
25 O6 Oh S 22 20 18 1.439 109.712 -179.18 -0.6890
26 H6O Ho E 25 22 20 0.961 108.379 54.80 0.4240
27 O5 Os E 20 18 16 1.493 108.679 55.34 -0.4330
28 O4 Os E 18 16 6 1.444 108.505 -175.54 -0.4740
29 O3 Os M 16 6 4 1.462 112.173 174.68 -0.4520
LOOP
O5 C1
DONE
WzA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.493 117.276 -129.39 0.3980
5 H1 H2 E 4 3 2 1.090 32.570 152.52 0.0000
6 O5 Os M 4 3 2 1.458 108.055 55.77 -0.5440
7 C5 Cg M 6 4 3 1.515 118.156 -151.21 0.1870
8 H5 H1 E 7 6 4 1.092 105.702 62.73 0.0000
9 C6 C B 7 6 4 1.597 117.705 178.26 0.7980
10 O6B O2 E 9 7 6 1.252 118.424 -16.19 -0.7870
11 O6A O2 E 9 7 6 1.259 117.589 166.79 -0.7870
12 C4 Cg M 7 6 4 1.550 110.155 -52.17 0.1930
13 H4 H1 E 12 7 6 1.091 108.479 -74.33 0.0000
14 O4 Os E 12 7 6 1.452 107.400 168.29 -0.4540
15 C3 Cg M 12 7 6 1.555 113.190 47.11 0.3000
16 H3 H1 E 15 12 7 1.092 108.970 72.43 0.0000
17 C2 Cg B 15 12 7 1.547 112.948 -48.46 0.3260
18 H2 H1 E 17 15 12 1.091 108.371 -69.20 0.0000
19 O2 Oh S 17 15 12 1.467 110.467 172.90 -0.7320
20 H2O Ho E 19 17 15 0.965 107.076 -83.83 0.4060
21 O3 Os M 15 12 7 1.458 110.360 -168.45 -0.4980
LOOP
C2 C1
DONE
WzB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 115.039 -133.39 0.2510
5 H1 H2 E 4 3 2 1.091 63.566 -66.62 0.0000
6 C2 Cg M 4 3 2 1.556 136.448 -159.63 0.4110
7 H2 H1 E 6 4 3 1.092 109.113 -96.54 0.0000
8 O2 Oh S 6 4 3 1.458 107.250 21.17 -0.7400
9 H2O Ho E 8 6 4 0.962 106.072 -51.06 0.4220
10 C3 Cg M 6 4 3 1.551 111.345 142.85 0.2660
11 H3 H1 E 10 6 4 1.092 108.729 -71.83 0.0000
12 C4 Cg 3 10 6 4 1.552 112.291 48.56 0.2670
13 H4 H1 E 12 10 6 1.092 109.244 70.35 0.0000
14 C5 Cg 3 12 10 6 1.542 113.280 -50.40 0.0750
15 H5 H1 E 14 12 10 1.092 107.974 -63.51 0.0000
16 C6 C B 14 12 10 1.584 111.106 -178.60 0.8930
17 O6A O2 E 16 14 12 1.252 118.262 -140.20 -0.8180
18 O6B O2 E 16 14 12 1.258 117.333 41.17 -0.8180
19 O5 Os E 14 12 10 1.502 108.303 51.87 -0.4130
20 O4 Os E 12 10 6 1.449 108.610 -171.54 -0.4980
21 O3 Os M 10 6 4 1.459 111.009 168.82 -0.4920
LOOP
O5 C1
DONE
XEA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 C3 Cg 3 6 4 3 1.541 114.896 172.06 0.3280
9 H3 H1 E 8 6 4 1.091 110.106 -167.45 0.0000
10 C4 Cg 3 8 6 4 1.544 111.809 -45.05 0.2610
11 H4 H1 E 10 8 6 1.091 108.188 -68.68 0.0000
12 C5 Cg 3 10 8 6 1.541 113.133 51.50 0.3740
13 H5 H1 E 12 10 8 1.092 109.237 63.30 0.0000
14 C6 Cg 3 12 10 8 1.535 114.012 -174.39 0.2590
15 H62 H1 E 14 12 10 1.090 110.525 -56.55 0.0000
16 H61 H1 E 14 12 10 1.091 110.727 63.66 0.0000
17 O6 Os E 14 12 10 1.434 108.916 -175.95 -0.4510
18 O5 Os E 12 10 8 1.485 107.816 -54.81 -0.5870
19 O4 Oh S 10 8 6 1.439 109.304 174.29 -0.7210
20 H4O Ho E 19 10 8 0.960 109.412 -61.37 0.4150
21 O3 Oh S 8 6 4 1.442 106.866 75.38 -0.7140
22 H3O Ho E 21 8 6 0.960 109.461 58.71 0.4200
23 O2 Os M 6 4 3 1.437 106.903 53.10 -0.4370
LOOP
O5 C1
DONE
XEB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Os E 9 7 6 1.439 109.977 57.72 -0.4630
13 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
14 H4 H1 E 13 7 6 1.091 108.584 66.50 0.0000
15 O4 Oh S 13 7 6 1.457 110.564 -175.67 -0.7240
16 H4O Ho E 15 13 7 0.964 110.039 -157.92 0.4200
17 C3 Cg M 13 7 6 1.554 111.196 -53.07 0.3150
18 H3 H1 E 17 13 7 1.091 109.198 176.72 0.0000
19 O3 Oh S 17 13 7 1.454 110.601 -64.53 -0.6810
20 H3O Ho E 19 17 13 0.965 108.397 -50.06 0.4030
21 C2 Cg M 17 13 7 1.540 111.264 55.77 0.1840
22 H2 H1 E 21 17 13 1.091 109.856 -175.33 0.0000
23 O2 Os M 21 17 13 1.463 107.825 66.95 -0.4590
LOOP
C2 C1
DONE
XGA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 C3 Cg 3 6 4 3 1.543 111.424 -164.87 0.2860
9 H3 H1 E 8 6 4 1.092 109.239 69.49 0.0000
10 C4 Cg 3 8 6 4 1.547 112.114 -52.22 0.2540
11 H4 H1 E 10 8 6 1.092 109.454 -66.45 0.0000
12 C5 Cg 3 10 8 6 1.543 111.254 54.50 0.2830
13 H5 H1 E 12 10 8 1.092 108.261 65.38 0.0000
14 C6 Cg 3 12 10 8 1.546 112.538 -174.79 0.2760
15 H62 H1 E 14 12 10 1.090 110.682 -45.93 0.0000
16 H61 H1 E 14 12 10 1.091 110.014 73.31 0.0000
17 O6 Os E 14 12 10 1.444 110.823 -165.78 -0.4580
18 O5 Os E 12 10 8 1.500 109.539 -52.54 -0.5740
19 O4 Oh S 10 8 6 1.451 108.956 174.69 -0.7100
20 H4O Ho E 19 10 8 0.968 107.227 50.66 0.4360
21 O3 Oh S 8 6 4 1.452 108.531 -172.18 -0.6990
22 H3O Ho E 21 8 6 0.967 107.382 -43.08 0.4270
23 O2 Os M 6 4 3 1.465 111.499 -41.43 -0.4700
LOOP
O5 C1
DONE
XGB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Os E 9 7 6 1.440 109.810 57.27 -0.4580
13 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
14 H4 H1 E 13 7 6 1.092 109.352 66.92 0.0000
15 O4 Oh S 13 7 6 1.448 108.899 -174.36 -0.7140
16 H4O Ho E 15 13 7 0.967 107.435 172.17 0.4400
17 C3 Cg M 13 7 6 1.548 111.306 -54.04 0.2840
18 H3 H1 E 17 13 7 1.092 109.104 -67.30 0.0000
19 O3 Oh S 17 13 7 1.454 108.817 174.47 -0.7090
20 H3O Ho E 19 17 13 0.967 107.396 -174.95 0.4320
21 C2 Cg M 17 13 7 1.545 112.113 53.55 0.3100
22 H2 H1 E 21 17 13 1.092 109.394 68.33 0.0000
23 O2 Os M 21 17 13 1.458 108.975 -172.91 -0.4750
LOOP
C2 C1
DONE
XKA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 C3 Cg 3 6 4 3 1.544 115.219 178.76 0.3540
9 H3 H1 E 8 6 4 1.091 109.846 -171.16 0.0000
10 C4 Cg 3 8 6 4 1.541 111.196 -48.97 0.1960
11 H4 H1 E 10 8 6 1.091 109.723 170.85 0.0000
12 C5 Cg 3 10 8 6 1.549 113.058 48.50 0.3010
13 H5 H1 E 12 10 8 1.092 107.347 66.38 0.0000
14 C6 Cg 3 12 10 8 1.535 114.885 -173.99 0.2870
15 H62 H1 E 14 12 10 1.090 110.246 -52.70 0.0000
16 H61 H1 E 14 12 10 1.091 110.887 67.51 0.0000
17 O6 Os E 14 12 10 1.434 108.908 -172.15 -0.4630
18 O5 Os E 12 10 8 1.489 109.902 -50.90 -0.5400
19 O4 Oh S 10 8 6 1.440 107.338 -72.13 -0.7120
20 H4O Ho E 19 10 8 0.960 109.466 -178.56 0.4200
21 O3 Oh S 8 6 4 1.440 110.218 69.79 -0.7440
22 H3O Ho E 21 8 6 0.960 109.437 59.70 0.4360
23 O2 Os M 6 4 3 1.439 110.808 -54.40 -0.4830
LOOP
O5 C1
DONE
XKB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Os E 9 7 6 1.441 110.162 62.18 -0.4480
13 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
14 H4 H1 E 13 7 6 1.091 108.867 -172.31 0.0000
15 O4 Oh S 13 7 6 1.455 110.952 69.39 -0.7000
16 H4O Ho E 15 13 7 0.964 110.377 163.16 0.4250
17 C3 Cg M 13 7 6 1.545 111.117 -51.77 0.2530
18 H3 H1 E 17 13 7 1.091 109.391 173.95 0.0000
19 O3 Oh S 17 13 7 1.452 107.992 -68.85 -0.7100
20 H3O Ho E 19 17 13 0.968 107.267 175.38 0.4420
21 C2 Cg M 17 13 7 1.547 111.988 52.75 0.3080
22 H2 H1 E 21 17 13 1.091 108.509 65.85 0.0000
23 O2 Os M 21 17 13 1.462 109.337 -176.76 -0.4780
LOOP
C2 C1
DONE
XLA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 C3 Cg 3 6 4 3 1.541 112.432 -178.15 0.2530
9 H3 H1 E 8 6 4 1.091 109.206 67.02 0.0000
10 C4 Cg 3 8 6 4 1.544 111.714 -53.08 0.2040
11 H4 H1 E 10 8 6 1.091 109.766 175.51 0.0000
12 C5 Cg 3 10 8 6 1.544 110.422 54.48 0.2160
13 H5 H1 E 12 10 8 1.092 107.514 62.91 0.0000
14 C6 Cg 3 12 10 8 1.535 114.934 -177.18 0.3080
15 H62 H1 E 14 12 10 1.090 110.251 -53.15 0.0000
16 H61 H1 E 14 12 10 1.091 110.918 67.08 0.0000
17 O6 Os E 14 12 10 1.434 108.858 -172.60 -0.4600
18 O5 Os E 12 10 8 1.490 109.289 -54.45 -0.5270
19 O4 Oh S 10 8 6 1.445 109.785 -64.95 -0.6730
20 H4O Ho E 19 10 8 0.960 109.470 179.80 0.4360
21 O3 Oh S 8 6 4 1.440 110.035 -174.48 -0.7010
22 H3O Ho E 21 8 6 0.960 109.438 -57.69 0.4330
23 O2 Os M 6 4 3 1.440 109.403 -55.56 -0.4870
LOOP
O5 C1
DONE
XLB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Os E 9 7 6 1.437 109.027 63.12 -0.4680
13 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
14 H4 H1 E 13 7 6 1.091 109.333 -173.92 0.0000
15 O4 Oh S 13 7 6 1.449 109.628 67.34 -0.6640
16 H4O Ho E 15 13 7 0.967 107.158 -172.89 0.4370
17 C3 Cg M 13 7 6 1.546 110.517 -53.62 0.2590
18 H3 H1 E 17 13 7 1.092 108.098 -64.81 0.0000
19 O3 Oh S 17 13 7 1.455 109.126 178.29 -0.6940
20 H3O Ho E 19 17 13 0.967 107.449 -176.92 0.4330
21 C2 Cg M 17 13 7 1.547 112.254 55.04 0.3570
22 H2 H1 E 21 17 13 1.092 109.716 67.43 0.0000
23 O2 Os M 21 17 13 1.459 108.705 -173.71 -0.4880
LOOP
C2 C1
DONE
XMA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 C3 Cg 3 6 4 3 1.545 110.571 -158.93 0.2520
9 H3 H1 E 8 6 4 1.092 108.528 64.93 0.0000
10 C4 Cg 3 8 6 4 1.549 111.609 -54.79 0.3260
11 H4 H1 E 10 8 6 1.091 109.865 -64.38 0.0000
12 C5 Cg 3 10 8 6 1.546 110.605 57.15 0.2760
13 H5 H1 E 12 10 8 1.092 108.214 65.71 0.0000
14 C6 Cg 3 12 10 8 1.544 112.153 -174.59 0.2660
15 H62 H1 E 14 12 10 1.090 110.579 -46.84 0.0000
16 H61 H1 E 14 12 10 1.091 110.051 72.33 0.0000
17 O6 Os E 14 12 10 1.444 110.952 -166.67 -0.4600
18 O5 Os E 12 10 8 1.497 110.394 -52.31 -0.5070
19 O4 Oh S 10 8 6 1.452 108.734 176.59 -0.7330
20 H4O Ho E 19 10 8 0.966 107.267 52.91 0.4380
21 O3 Oh S 8 6 4 1.461 109.595 -177.93 -0.6960
22 H3O Ho E 21 8 6 0.964 109.699 -74.81 0.4310
23 O2 Os M 6 4 3 1.459 110.007 79.71 -0.4650
LOOP
O5 C1
DONE
XMB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Os E 9 7 6 1.439 109.850 57.44 -0.4550
13 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
14 H4 H1 E 13 7 6 1.091 109.789 70.94 0.0000
15 O4 Oh S 13 7 6 1.452 108.352 -170.58 -0.7460
16 H4O Ho E 15 13 7 0.963 108.380 -159.72 0.4430
17 C3 Cg M 13 7 6 1.553 110.419 -50.51 0.2630
18 H3 H1 E 17 13 7 1.092 108.588 -60.79 0.0000
19 O3 Oh S 17 13 7 1.457 111.995 -178.50 -0.6920
20 H3O Ho E 19 17 13 0.962 109.624 81.59 0.4300
21 C2 Cg M 17 13 7 1.547 110.623 57.43 0.2410
22 H2 H1 E 21 17 13 1.091 110.076 180.00 0.0000
23 O2 Os M 21 17 13 1.459 110.769 59.28 -0.4270
LOOP
C2 C1
DONE
XNA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 C3 Cg 3 6 4 3 1.541 114.996 179.46 0.3300
9 H3 H1 E 8 6 4 1.091 109.966 -173.17 0.0000
10 C4 Cg 3 8 6 4 1.543 108.602 -52.73 0.1670
11 H4 H1 E 10 8 6 1.091 108.011 -66.83 0.0000
12 C5 Cg 3 10 8 6 1.545 113.659 53.52 0.4040
13 H5 H1 E 12 10 8 1.092 109.059 65.09 0.0000
14 C6 Cg 3 12 10 8 1.535 113.747 -172.97 0.2800
15 H62 H1 E 14 12 10 1.090 110.540 -56.41 0.0000
16 H61 H1 E 14 12 10 1.091 110.668 63.75 0.0000
17 O6 Os E 14 12 10 1.434 109.011 -175.88 -0.4610
18 O5 Os E 12 10 8 1.489 108.589 -53.11 -0.6110
19 O4 Oh S 10 8 6 1.439 109.206 176.30 -0.7330
20 H4O Ho E 19 10 8 0.960 109.442 -63.39 0.4440
21 O3 Oh S 8 6 4 1.445 109.604 67.22 -0.7140
22 H3O Ho E 21 8 6 0.960 109.446 176.58 0.4410
23 O2 Os M 6 4 3 1.439 110.664 -54.19 -0.4470
LOOP
O5 C1
DONE
XNB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Os E 9 7 6 1.438 109.178 57.79 -0.4650
13 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
14 H4 H1 E 13 7 6 1.091 108.641 63.49 0.0000
15 O4 Oh S 13 7 6 1.447 110.674 -178.31 -0.7070
16 H4O Ho E 15 13 7 0.966 108.053 84.25 0.4300
17 C3 Cg M 13 7 6 1.546 111.303 -56.16 0.2340
18 H3 H1 E 17 13 7 1.092 109.685 177.82 0.0000
19 O3 Oh S 17 13 7 1.458 109.719 -63.09 -0.6150
20 H3O Ho E 19 17 13 0.967 107.516 169.04 0.3890
21 C2 Cg M 17 13 7 1.544 109.920 57.50 0.3010
22 H2 H1 E 21 17 13 1.093 108.226 64.66 0.0000
23 O2 Os M 21 17 13 1.458 109.185 -178.16 -0.4730
LOOP
C2 C1
DONE
XTA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 C3 Cg 3 6 4 3 1.545 112.024 178.31 0.1240
9 H3 H1 E 8 6 4 1.091 106.708 69.61 0.0000
10 C4 Cg 3 8 6 4 1.543 114.910 -48.48 0.4340
11 H4 H1 E 10 8 6 1.091 109.633 172.69 0.0000
12 C5 Cg 3 10 8 6 1.544 109.739 52.34 0.1570
13 H5 H1 E 12 10 8 1.092 107.463 63.77 0.0000
14 C6 Cg 3 12 10 8 1.535 114.896 -176.35 0.3040
15 H62 H1 E 14 12 10 1.090 110.263 -52.86 0.0000
16 H61 H1 E 14 12 10 1.091 110.896 67.37 0.0000
17 O6 Os E 14 12 10 1.434 108.863 -172.31 -0.4620
18 O5 Os E 12 10 8 1.488 109.541 -53.52 -0.4800
19 O4 Oh S 10 8 6 1.443 110.261 -67.82 -0.7310
20 H4O Ho E 19 10 8 0.960 109.459 -179.88 0.4170
21 O3 Oh S 8 6 4 1.439 110.774 -174.86 -0.6870
22 H3O Ho E 21 8 6 0.960 109.479 -54.69 0.4420
23 O2 Os M 6 4 3 1.440 106.453 57.61 -0.4130
LOOP
O5 C1
DONE
XTB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Os E 9 7 6 1.434 108.837 64.00 -0.4540
13 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
14 H4 H1 E 13 7 6 1.091 109.475 -172.25 0.0000
15 O4 Oh S 13 7 6 1.443 108.917 69.31 -0.6260
16 H4O Ho E 15 13 7 0.960 109.455 59.28 0.4130
17 C3 Cg M 13 7 6 1.547 110.218 -51.66 0.1740
18 H3 H1 E 17 13 7 1.091 106.762 -67.21 0.0000
19 O3 Oh S 17 13 7 1.439 110.707 177.22 -0.6780
20 H3O Ho E 19 17 13 0.960 109.373 -64.34 0.4250
21 C2 Cg M 17 13 7 1.545 114.890 50.96 0.3400
22 H2 H1 E 21 17 13 1.091 109.957 -172.30 0.0000
23 O2 Os M 21 17 13 1.444 109.766 67.90 -0.4340
LOOP
C2 C1
DONE
XeA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Os E 9 7 6 1.434 108.916 -64.43 -0.4510
13 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
14 H4 H1 E 13 7 6 1.091 108.456 -65.22 0.0000
15 O4 Oh S 13 7 6 1.439 109.886 177.28 -0.7210
16 H4O Ho E 15 13 7 0.960 109.412 -63.34 0.4150
17 C3 Cg M 13 7 6 1.544 113.133 54.81 0.3280
18 H3 H1 E 17 13 7 1.091 109.843 -174.05 0.0000
19 O3 Oh S 17 13 7 1.442 110.012 67.08 -0.7140
20 H3O Ho E 19 17 13 0.960 109.461 179.72 0.4200
21 C2 Cg M 17 13 7 1.541 111.809 -51.50 0.1790
22 H2 H1 E 21 17 13 1.092 109.967 169.74 0.0000
23 O2 Os M 21 17 13 1.437 107.327 -73.67 -0.4370
LOOP
C2 C1
DONE
XeB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 C3 Cg 3 6 4 3 1.540 108.887 135.69 0.3150
9 H3 H1 E 8 6 4 1.091 109.473 176.26 0.0000
10 C4 Cg 3 8 6 4 1.554 111.264 55.47 0.3200
11 H4 H1 E 10 8 6 1.091 108.716 63.72 0.0000
12 C5 Cg 3 10 8 6 1.549 111.196 -55.77 0.2570
13 H5 H1 E 12 10 8 1.092 109.111 -65.44 0.0000
14 C6 Cg 3 12 10 8 1.541 112.018 174.42 0.2780
15 H61 H1 E 14 12 10 1.090 110.614 60.34 0.0000
16 H62 H1 E 14 12 10 1.091 110.136 -59.38 0.0000
17 O6 Os E 14 12 10 1.439 109.977 -179.42 -0.4630
18 O5 Os E 12 10 8 1.501 109.730 53.07 -0.5320
19 O4 Oh S 10 8 6 1.457 110.079 -178.65 -0.7240
20 H4O Ho E 19 10 8 0.964 110.039 -78.83 0.4200
21 O3 Oh S 8 6 4 1.454 108.210 -66.23 -0.6810
22 H3O Ho E 21 8 6 0.965 108.397 172.17 0.4030
23 O2 Os M 6 4 3 1.463 112.571 -104.80 -0.4590
LOOP
O5 C1
DONE
XgA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Os E 9 7 6 1.444 110.823 -72.03 -0.4580
13 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
14 H4 H1 E 13 7 6 1.092 109.342 -68.48 0.0000
15 O4 Oh S 13 7 6 1.451 108.995 172.71 -0.7100
16 H4O Ho E 15 13 7 0.968 107.227 -172.23 0.4360
17 C3 Cg M 13 7 6 1.547 111.254 52.54 0.2860
18 H3 H1 E 17 13 7 1.092 109.616 66.99 0.0000
19 O3 Oh S 17 13 7 1.452 108.604 -174.42 -0.6990
20 H3O Ho E 19 17 13 0.967 107.382 165.20 0.4270
21 C2 Cg M 17 13 7 1.543 112.114 -54.50 0.2460
22 H2 H1 E 21 17 13 1.091 108.373 -65.99 0.0000
23 O2 Os M 21 17 13 1.465 110.086 176.46 -0.4700
LOOP
C2 C1
DONE
XgB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 C3 Cg 3 6 4 3 1.545 110.380 140.59 0.2840
9 H3 H1 E 8 6 4 1.092 109.008 -69.00 0.0000
10 C4 Cg 3 8 6 4 1.548 112.113 51.91 0.2760
11 H4 H1 E 10 8 6 1.092 109.378 67.39 0.0000
12 C5 Cg 3 10 8 6 1.543 111.306 -53.55 0.2250
13 H5 H1 E 12 10 8 1.092 109.126 -64.00 0.0000
14 C6 Cg 3 12 10 8 1.541 112.515 175.39 0.2820
15 H61 H1 E 14 12 10 1.090 110.609 61.43 0.0000
16 H62 H1 E 14 12 10 1.091 110.212 -58.37 0.0000
17 O6 Os E 14 12 10 1.440 109.810 -178.39 -0.4580
18 O5 Os E 12 10 8 1.495 108.909 54.04 -0.4710
19 O4 Oh S 10 8 6 1.448 109.104 -173.75 -0.7140
20 H4O Ho E 19 10 8 0.967 107.435 -50.50 0.4400
21 O3 Oh S 8 6 4 1.454 109.219 172.60 -0.7090
22 H3O Ho E 21 8 6 0.967 107.396 52.27 0.4320
23 O2 Os M 6 4 3 1.458 110.080 20.25 -0.4750
LOOP
O5 C1
DONE
XkA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Os E 9 7 6 1.434 108.908 -64.18 -0.4630
13 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
14 H4 H1 E 13 7 6 1.091 109.347 173.46 0.0000
15 O4 Oh S 13 7 6 1.440 109.315 -68.60 -0.7120
16 H4O Ho E 15 13 7 0.960 109.466 -58.47 0.4200
17 C3 Cg M 13 7 6 1.541 113.058 50.90 0.3540
18 H3 H1 E 17 13 7 1.091 110.148 -170.51 0.0000
19 O3 Oh S 17 13 7 1.440 107.217 72.05 -0.7440
20 H3O Ho E 19 17 13 0.960 109.437 179.14 0.4360
21 C2 Cg M 17 13 7 1.544 111.196 -48.50 0.2810
22 H2 H1 E 21 17 13 1.091 106.696 -68.80 0.0000
23 O2 Os M 21 17 13 1.439 110.836 175.80 -0.4830
LOOP
C2 C1
DONE
XkB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 C3 Cg 3 6 4 3 1.547 110.415 140.23 0.2530
9 H3 H1 E 8 6 4 1.091 109.195 174.71 0.0000
10 C4 Cg 3 8 6 4 1.545 111.988 53.40 0.2170
11 H4 H1 E 10 8 6 1.091 109.393 -172.98 0.0000
12 C5 Cg 3 10 8 6 1.553 111.117 -52.75 0.3030
13 H5 H1 E 12 10 8 1.092 107.789 -66.12 0.0000
14 C6 Cg 3 12 10 8 1.542 113.025 175.07 0.2590
15 H61 H1 E 14 12 10 1.090 110.096 53.77 0.0000
16 H62 H1 E 14 12 10 1.090 110.533 -65.83 0.0000
17 O6 Os E 14 12 10 1.441 110.162 173.71 -0.4480
18 O5 Os E 12 10 8 1.499 110.891 51.77 -0.5140
19 O4 Oh S 10 8 6 1.455 108.780 69.68 -0.7000
20 H4O Ho E 19 10 8 0.964 110.377 74.31 0.4250
21 O3 Oh S 8 6 4 1.452 110.271 -66.88 -0.7100
22 H3O Ho E 21 8 6 0.968 107.267 -52.72 0.4420
23 O2 Os M 6 4 3 1.462 111.766 18.28 -0.4780
LOOP
O5 C1
DONE
XlA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Os E 9 7 6 1.434 108.858 -64.45 -0.4600
13 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
14 H4 H1 E 13 7 6 1.091 109.671 175.54 0.0000
15 O4 Oh S 13 7 6 1.445 108.372 -65.83 -0.6730
16 H4O Ho E 15 13 7 0.960 109.470 -59.12 0.4360
17 C3 Cg M 13 7 6 1.544 110.422 54.45 0.2530
18 H3 H1 E 17 13 7 1.091 108.559 66.00 0.0000
19 O3 Oh S 17 13 7 1.440 109.147 -176.39 -0.7010
20 H3O Ho E 19 17 13 0.960 109.438 -179.39 0.4330
21 C2 Cg M 17 13 7 1.541 111.714 -54.48 0.3390
22 H2 H1 E 21 17 13 1.091 108.995 -66.63 0.0000
23 O2 Os M 21 17 13 1.440 110.049 175.31 -0.4870
LOOP
C2 C1
DONE
XlB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 C3 Cg 3 6 4 3 1.547 110.130 140.44 0.2590
9 H3 H1 E 8 6 4 1.092 108.676 -66.21 0.0000
10 C4 Cg 3 8 6 4 1.546 112.254 53.31 0.2030
11 H4 H1 E 10 8 6 1.091 109.260 -175.38 0.0000
12 C5 Cg 3 10 8 6 1.545 110.517 -55.04 0.1400
13 H5 H1 E 12 10 8 1.092 107.648 -63.90 0.0000
14 C6 Cg 3 12 10 8 1.539 113.155 176.88 0.3190
15 H61 H1 E 14 12 10 1.090 110.337 53.86 0.0000
16 H62 H1 E 14 12 10 1.091 110.848 -66.38 0.0000
17 O6 Os E 14 12 10 1.437 109.027 173.44 -0.4680
18 O5 Os E 12 10 8 1.495 110.103 53.62 -0.4020
19 O4 Oh S 10 8 6 1.449 109.638 65.91 -0.6640
20 H4O Ho E 19 10 8 0.967 107.158 51.40 0.4370
21 O3 Oh S 8 6 4 1.455 110.815 175.60 -0.6940
22 H3O Ho E 21 8 6 0.967 107.449 52.82 0.4330
23 O2 Os M 6 4 3 1.459 109.860 20.73 -0.4880
LOOP
O5 C1
DONE
XmA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Os E 9 7 6 1.444 110.952 -70.49 -0.4600
13 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
14 H4 H1 E 13 7 6 1.091 109.924 -69.18 0.0000
15 O4 Oh S 13 7 6 1.452 108.824 171.70 -0.7330
16 H4O Ho E 15 13 7 0.966 107.267 -173.46 0.4380
17 C3 Cg M 13 7 6 1.549 110.605 52.31 0.2520
18 H3 H1 E 17 13 7 1.092 108.663 62.49 0.0000
19 O3 Oh S 17 13 7 1.461 110.813 -179.59 -0.6960
20 H3O Ho E 19 17 13 0.964 109.699 -161.58 0.4310
21 C2 Cg M 17 13 7 1.545 111.609 -57.15 0.2450
22 H2 H1 E 21 17 13 1.091 109.207 175.17 0.0000
23 O2 Os M 21 17 13 1.459 109.731 -66.73 -0.4650
LOOP
C2 C1
DONE
XmB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 C3 Cg 3 6 4 3 1.547 107.300 140.06 0.2630
9 H3 H1 E 8 6 4 1.092 107.890 -58.13 0.0000
10 C4 Cg 3 8 6 4 1.553 110.623 60.52 0.3490
11 H4 H1 E 10 8 6 1.091 109.997 63.90 0.0000
12 C5 Cg 3 10 8 6 1.550 110.419 -57.43 0.2060
13 H5 H1 E 12 10 8 1.092 108.705 -67.76 0.0000
14 C6 Cg 3 12 10 8 1.539 111.873 172.30 0.2730
15 H61 H1 E 14 12 10 1.090 110.558 59.60 0.0000
16 H62 H1 E 14 12 10 1.091 110.262 -60.18 0.0000
17 O6 Os E 14 12 10 1.439 109.850 179.68 -0.4550
18 O5 Os E 12 10 8 1.498 110.843 50.51 -0.3930
19 O4 Oh S 10 8 6 1.452 109.624 -176.73 -0.7460
20 H4O Ho E 19 10 8 0.963 108.380 -79.71 0.4430
21 O3 Oh S 8 6 4 1.457 110.746 -174.70 -0.6920
22 H3O Ho E 21 8 6 0.962 109.624 154.41 0.4300
23 O2 Os M 6 4 3 1.459 109.767 -99.50 -0.4270
LOOP
O5 C1
DONE
XnA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Os E 9 7 6 1.434 109.011 -63.74 -0.4610
13 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
14 H4 H1 E 13 7 6 1.091 108.424 -67.01 0.0000
15 O4 Oh S 13 7 6 1.439 109.651 175.64 -0.7330
16 H4O Ho E 15 13 7 0.960 109.442 -61.75 0.4440
17 C3 Cg M 13 7 6 1.543 113.659 53.11 0.3300
18 H3 H1 E 17 13 7 1.091 110.022 -173.93 0.0000
19 O3 Oh S 17 13 7 1.445 109.798 66.31 -0.7140
20 H3O Ho E 19 17 13 0.960 109.446 64.20 0.4410
21 C2 Cg M 17 13 7 1.541 108.602 -53.52 0.2280
22 H2 H1 E 21 17 13 1.091 106.837 -65.32 0.0000
23 O2 Os M 21 17 13 1.439 110.703 179.06 -0.4470
LOOP
C2 C1
DONE
XnB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 C3 Cg 3 6 4 3 1.544 110.844 141.66 0.2340
9 H3 H1 E 8 6 4 1.092 109.398 175.17 0.0000
10 C4 Cg 3 8 6 4 1.546 109.920 54.68 0.2860
11 H4 H1 E 10 8 6 1.091 108.699 62.12 0.0000
12 C5 Cg 3 10 8 6 1.547 111.303 -57.50 0.1980
13 H5 H1 E 12 10 8 1.091 109.233 -61.92 0.0000
14 C6 Cg 3 12 10 8 1.541 112.741 177.70 0.3130
15 H61 H1 E 14 12 10 1.090 110.689 61.33 0.0000
16 H62 H1 E 14 12 10 1.090 110.338 -58.85 0.0000
17 O6 Os E 14 12 10 1.438 109.178 -178.76 -0.4650
18 O5 Os E 12 10 8 1.500 108.536 56.16 -0.5070
19 O4 Oh S 10 8 6 1.447 109.608 179.74 -0.7070
20 H4O Ho E 19 10 8 0.966 108.053 38.89 0.4300
21 O3 Oh S 8 6 4 1.458 109.599 -65.98 -0.6150
22 H3O Ho E 21 8 6 0.967 107.516 -48.26 0.3890
23 O2 Os M 6 4 3 1.458 111.714 19.64 -0.4730
LOOP
O5 C1
DONE
XtA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Os E 9 7 6 1.434 108.863 -64.48 -0.4620
13 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
14 H4 H1 E 13 7 6 1.091 109.540 173.93 0.0000
15 O4 Oh S 13 7 6 1.443 109.067 -67.36 -0.7310
16 H4O Ho E 15 13 7 0.960 109.459 -59.56 0.4170
17 C3 Cg M 13 7 6 1.543 109.739 53.52 0.1240
18 H3 H1 E 17 13 7 1.091 106.734 65.74 0.0000
19 O3 Oh S 17 13 7 1.439 110.707 -178.75 -0.6870
20 H3O Ho E 19 17 13 0.960 109.479 -176.63 0.4420
21 C2 Cg M 17 13 7 1.545 114.910 -52.34 0.2450
22 H2 H1 E 21 17 13 1.091 109.723 171.12 0.0000
23 O2 Os M 21 17 13 1.440 110.347 -69.94 -0.4130
LOOP
C2 C1
DONE
XtB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 C3 Cg 3 6 4 3 1.545 108.990 139.13 0.1740
9 H3 H1 E 8 6 4 1.091 106.777 -66.52 0.0000
10 C4 Cg 3 8 6 4 1.547 114.890 51.64 0.3140
11 H4 H1 E 10 8 6 1.091 109.570 -171.49 0.0000
12 C5 Cg 3 10 8 6 1.547 110.218 -50.96 0.0310
13 H5 H1 E 12 10 8 1.092 107.394 -65.47 0.0000
14 C6 Cg 3 12 10 8 1.535 115.137 174.64 0.3490
15 H61 H1 E 14 12 10 1.090 110.278 53.24 0.0000
16 H62 H1 E 14 12 10 1.091 110.886 -67.01 0.0000
17 O6 Os E 14 12 10 1.434 108.837 172.73 -0.4540
18 O5 Os E 12 10 8 1.487 109.426 51.66 -0.3540
19 O4 Oh S 10 8 6 1.443 110.169 69.26 -0.6260
20 H4O Ho E 19 10 8 0.960 109.455 179.72 0.4130
21 O3 Oh S 8 6 4 1.439 110.677 177.92 -0.6780
22 H3O Ho E 21 8 6 0.960 109.373 -64.24 0.4250
23 O2 Os M 6 4 3 1.444 109.193 -100.97 -0.4340
LOOP
O5 C1
DONE
YAA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.676 79.166 -133.49 0.4480
5 H1 H2 E 4 3 2 1.091 24.223 90.04 0.0000
6 C2 Cg M 4 3 2 1.547 97.401 -30.99 0.2680
7 H2 H1 E 6 4 3 1.092 109.940 -51.47 0.0000
8 C3 Cg 3 6 4 3 1.543 115.075 -176.20 0.3350
9 H3 H1 E 8 6 4 1.091 110.217 -167.01 0.0000
10 C4 Cg 3 8 6 4 1.543 111.532 -44.66 0.2450
11 H4 H1 E 10 8 6 1.091 108.482 -68.58 0.0000
12 C5 Cg 3 10 8 6 1.532 112.944 51.47 0.3790
13 H5E H1 E 12 10 8 1.090 110.447 -175.26 0.0000
14 H5A H1 E 12 10 8 1.091 110.923 64.60 0.0000
15 O5 Os E 12 10 8 1.479 108.551 -55.64 -0.5640
16 O4 Os E 10 8 6 1.437 110.197 173.67 -0.5080
17 O3 Oh S 8 6 4 1.441 106.949 75.66 -0.7720
18 H3O Ho E 17 8 6 0.960 109.473 59.41 0.4610
19 O2 Os M 6 4 3 1.437 106.880 64.80 -0.4860
LOOP
O5 C1
DONE
YAB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.397 98.712 -136.08 0.3790
5 H1 H2 E 4 3 2 1.091 66.137 -93.73 0.0000
6 O5 Os M 4 3 2 1.466 132.905 172.33 -0.5290
7 C5 Cg M 6 4 3 1.485 114.414 139.79 0.3560
8 H5E H1 E 7 6 4 1.090 108.916 176.99 0.0000
9 H5A H1 E 7 6 4 1.091 109.188 -65.32 0.0000
10 C4 Cg M 7 6 4 1.546 110.184 56.30 0.2240
11 H4 H1 E 10 7 6 1.091 108.191 65.24 0.0000
12 O4 Os E 10 7 6 1.458 110.447 -177.16 -0.4840
13 C3 Cg M 10 7 6 1.551 111.087 -54.27 0.2970
14 H3 H1 E 13 10 7 1.091 109.244 175.99 0.0000
15 O3 Oh S 13 10 7 1.454 109.593 -65.87 -0.6680
16 H3O Ho E 15 13 10 0.966 107.607 -47.31 0.4070
17 C2 Cg M 13 10 7 1.543 111.469 54.81 0.3000
18 H2 H1 E 17 13 10 1.091 109.979 -173.48 0.0000
19 O2 Os M 17 13 10 1.460 108.027 68.57 -0.4760
LOOP
C2 C1
DONE
YDA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.544 98.481 -135.71 0.3980
5 H1 H2 E 4 3 2 1.090 143.293 157.80 0.0000
6 C2 Cg M 4 3 2 1.559 100.528 13.66 0.2460
7 H2 H1 E 6 4 3 1.091 109.379 88.56 0.0000
8 C3 Cg 3 6 4 3 1.549 110.494 -31.75 0.1840
9 H3 H1 E 8 6 4 1.091 107.825 63.24 0.0000
10 C4 Cg 3 8 6 4 1.545 111.008 -55.58 0.3510
11 H4 H1 E 10 8 6 1.091 110.279 -64.03 0.0000
12 C5 Cg 3 10 8 6 1.543 110.247 57.45 0.2750
13 H5E H1 E 12 10 8 1.090 110.034 -173.80 0.0000
14 H5A H1 E 12 10 8 1.092 109.852 67.71 0.0000
15 O5 Os E 12 10 8 1.490 111.684 -52.70 -0.4870
16 O4 Os E 10 8 6 1.447 108.954 176.38 -0.4830
17 O3 Oh S 8 6 4 1.459 111.377 -179.63 -0.6550
18 H3O Ho E 17 8 6 0.962 110.146 -45.63 0.4170
19 O2 Os M 6 4 3 1.458 109.515 -153.38 -0.4400
LOOP
O5 C1
DONE
YDB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.719 100.298 -130.46 0.4480
5 H1 H2 E 4 3 2 1.091 138.149 179.98 0.0000
6 O5 Os M 4 3 2 1.480 43.169 119.64 -0.5190
7 C5 Cg M 6 4 3 1.480 115.118 -158.52 0.2750
8 H5E H1 E 7 6 4 1.090 109.162 177.52 0.0000
9 H5A H1 E 7 6 4 1.092 108.688 -64.77 0.0000
10 C4 Cg M 7 6 4 1.539 110.071 56.42 0.3350
11 H4 H1 E 10 7 6 1.091 109.494 72.24 0.0000
12 O4 Os E 10 7 6 1.436 107.087 -169.38 -0.4670
13 C3 Cg M 10 7 6 1.543 111.797 -50.34 0.2010
14 H3 H1 E 13 10 7 1.092 109.081 -68.08 0.0000
15 O3 Oh S 13 10 7 1.440 109.833 173.78 -0.7010
16 H3O Ho E 15 13 10 0.960 109.476 58.38 0.4320
17 C2 Cg M 13 10 7 1.543 112.432 51.79 0.2260
18 H2 H1 E 17 13 10 1.091 110.138 -175.60 0.0000
19 O2 Os M 17 13 10 1.446 109.378 64.40 -0.4240
LOOP
C2 C1
DONE
YEA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 C3 Cg 3 6 4 3 1.541 114.896 172.06 0.3280
9 H3 H1 E 8 6 4 1.091 110.106 -167.45 0.0000
10 C4 Cg 3 8 6 4 1.544 111.809 -45.05 0.2610
11 H4 H1 E 10 8 6 1.091 108.188 -68.68 0.0000
12 C5 Cg 3 10 8 6 1.541 113.133 51.50 0.3740
13 H5 H1 E 12 10 8 1.092 109.237 63.30 0.0000
14 C6 Cg 3 12 10 8 1.535 114.012 -174.39 0.2590
15 H62 H1 E 14 12 10 1.090 110.525 -56.55 0.0000
16 H61 H1 E 14 12 10 1.091 110.727 63.66 0.0000
17 O6 Oh S 14 12 10 1.434 108.916 -175.95 -0.6630
18 H6O Ho E 17 14 12 0.960 109.470 59.69 0.4060
19 O5 Os E 12 10 8 1.485 107.816 -54.81 -0.5870
20 O4 Os E 10 8 6 1.439 109.304 174.29 -0.5000
21 O3 Oh S 8 6 4 1.442 106.866 75.38 -0.7140
22 H3O Ho E 21 8 6 0.960 109.461 58.71 0.4200
23 O2 Os M 6 4 3 1.437 106.903 53.10 -0.4370
LOOP
O5 C1
DONE
YEB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Oh S 9 7 6 1.439 109.977 57.72 -0.6770
13 H6O Ho E 12 9 7 0.962 108.042 -50.79 0.4080
14 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
15 H4 H1 E 14 7 6 1.091 108.584 66.50 0.0000
16 O4 Os E 14 7 6 1.457 110.564 -175.67 -0.4980
17 C3 Cg M 14 7 6 1.554 111.196 -53.07 0.3150
18 H3 H1 E 17 14 7 1.091 109.198 176.72 0.0000
19 O3 Oh S 17 14 7 1.454 110.601 -64.53 -0.6810
20 H3O Ho E 19 17 14 0.965 108.397 -50.06 0.4030
21 C2 Cg M 17 14 7 1.540 111.264 55.77 0.1840
22 H2 H1 E 21 17 14 1.091 109.856 -175.33 0.0000
23 O2 Os M 21 17 14 1.463 107.825 66.95 -0.4590
LOOP
C2 C1
DONE
YFA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.482 98.666 -135.91 0.3990
5 H1 H2 E 4 3 2 1.090 143.009 167.64 0.0000
6 C2 Cg M 4 3 2 1.566 103.719 15.57 0.4560
7 H2 H1 E 6 4 3 1.091 107.661 -140.81 0.0000
8 C3 Cg 3 6 4 3 1.550 109.810 -22.26 0.2280
9 H3 H1 E 8 6 4 1.091 109.256 60.66 0.0000
10 C4 Cg 3 8 6 4 1.549 109.944 -58.35 0.2630
11 H4 H1 E 10 8 6 1.091 108.978 175.77 0.0000
12 C5 Cg 3 10 8 6 1.554 111.442 55.77 0.1870
13 H5 H1 E 12 10 8 1.091 107.126 67.59 0.0000
14 C6 Cg 3 12 10 8 1.531 115.122 -173.47 0.0650
15 H63 Hc E 14 12 10 1.090 111.280 -55.79 0.0000
16 H62 Hc E 14 12 10 1.091 111.136 -175.22 0.0000
17 H61 Hc E 14 12 10 1.091 112.013 64.74 0.0000
18 O5 Os E 12 10 8 1.495 111.650 -50.00 -0.4940
19 O4 Os E 10 8 6 1.452 109.204 -66.42 -0.4860
20 O3 Oh S 8 6 4 1.464 112.278 179.81 -0.6930
21 H3O Ho E 20 8 6 0.965 108.720 -78.93 0.4260
22 O2 Os M 6 4 3 1.463 112.192 101.91 -0.5450
LOOP
O5 C1
DONE
YFB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 27.023 80.980 -137.29 0.4180
5 H1 H2 E 4 3 2 1.091 89.699 -141.90 0.0000
6 O5 Os M 4 3 2 1.479 135.888 101.36 -0.4420
7 C5 Cg M 6 4 3 1.481 116.331 175.37 0.1060
8 H5 H1 E 7 6 4 1.092 108.301 -57.82 0.0000
9 C6 Cg 3 7 6 4 1.531 108.182 -173.94 0.0920
10 H63 Hc E 9 7 6 1.091 111.199 179.97 0.0000
11 H62 Hc E 9 7 6 1.091 112.070 -59.60 0.0000
12 H61 Hc E 9 7 6 1.091 111.160 60.55 0.0000
13 C4 Cg M 7 6 4 1.543 108.818 59.65 0.2290
14 H4 H1 E 13 7 6 1.091 109.875 -177.36 0.0000
15 O4 Os E 13 7 6 1.445 108.672 63.53 -0.4300
16 C3 Cg M 13 7 6 1.542 109.625 -56.43 0.2550
17 H3 H1 E 16 13 7 1.092 107.830 -66.01 0.0000
18 O3 Oh S 16 13 7 1.440 109.284 176.95 -0.6760
19 H3O Ho E 18 16 13 0.960 109.419 178.46 0.4270
20 C2 Cg M 16 13 7 1.542 112.898 54.44 0.3460
21 H2 H1 E 20 16 13 1.092 109.972 72.13 0.0000
22 O2 Os M 20 16 13 1.439 107.835 -168.68 -0.5190
LOOP
C2 C1
DONE
YGA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 C3 Cg 3 6 4 3 1.543 111.424 -164.87 0.2860
9 H3 H1 E 8 6 4 1.092 109.239 69.49 0.0000
10 C4 Cg 3 8 6 4 1.547 112.114 -52.22 0.2540
11 H4 H1 E 10 8 6 1.092 109.454 -66.45 0.0000
12 C5 Cg 3 10 8 6 1.543 111.254 54.50 0.2830
13 H5 H1 E 12 10 8 1.092 108.261 65.38 0.0000
14 C6 Cg 3 12 10 8 1.546 112.538 -174.79 0.2760
15 H62 H1 E 14 12 10 1.090 110.682 -45.93 0.0000
16 H61 H1 E 14 12 10 1.091 110.014 73.31 0.0000
17 O6 Oh S 14 12 10 1.444 110.823 -165.78 -0.6820
18 H6O Ho E 17 14 12 0.960 109.735 78.35 0.4180
19 O5 Os E 12 10 8 1.500 109.539 -52.54 -0.5740
20 O4 Os E 10 8 6 1.451 108.956 174.69 -0.4680
21 O3 Oh S 8 6 4 1.452 108.531 -172.18 -0.6990
22 H3O Ho E 21 8 6 0.967 107.382 -43.08 0.4270
23 O2 Os M 6 4 3 1.465 111.499 -41.43 -0.4700
LOOP
O5 C1
DONE
YGB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Oh S 9 7 6 1.440 109.810 57.27 -0.6880
13 H6O Ho E 12 9 7 0.962 108.265 -53.10 0.4240
14 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
15 H4 H1 E 14 7 6 1.092 109.352 66.92 0.0000
16 O4 Os E 14 7 6 1.448 108.899 -174.36 -0.4680
17 C3 Cg M 14 7 6 1.548 111.306 -54.04 0.2840
18 H3 H1 E 17 14 7 1.092 109.104 -67.30 0.0000
19 O3 Oh S 17 14 7 1.454 108.817 174.47 -0.7090
20 H3O Ho E 19 17 14 0.967 107.396 -174.95 0.4320
21 C2 Cg M 17 14 7 1.545 112.113 53.55 0.3100
22 H2 H1 E 21 17 14 1.092 109.394 68.33 0.0000
23 O2 Os M 21 17 14 1.458 108.975 -172.91 -0.4750
LOOP
C2 C1
DONE
YHA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.582 98.678 -136.05 0.3940
5 H1 H2 E 4 3 2 1.090 147.150 175.74 0.0000
6 C2 Cg M 4 3 2 1.554 100.578 20.48 0.2480
7 H2 H1 E 6 4 3 1.091 109.542 95.73 0.0000
8 C3 Cg 3 6 4 3 1.545 110.654 -24.92 0.2360
9 H3 H1 E 8 6 4 1.092 108.370 66.81 0.0000
10 C4 Cg 3 8 6 4 1.545 112.380 -53.49 0.1870
11 H4 H1 E 10 8 6 1.091 109.690 -65.16 0.0000
12 C5 Cg 3 10 8 6 1.549 110.317 55.89 0.2790
13 H5 H1 E 12 10 8 1.092 108.902 66.22 0.0000
14 C6 Cg 3 12 10 8 1.530 113.869 -172.74 0.0230
15 H63 Hc E 14 12 10 1.090 111.509 -61.06 0.0000
16 H62 Hc E 14 12 10 1.091 111.314 179.43 0.0000
17 H61 Hc E 14 12 10 1.091 111.668 59.25 0.0000
18 O5 Os E 12 10 8 1.486 110.695 -52.49 -0.4610
19 O4 Os E 10 8 6 1.456 108.727 175.97 -0.4330
20 O3 Oh S 8 6 4 1.452 109.719 -175.81 -0.6490
21 H3O Ho E 20 8 6 0.965 106.808 176.43 0.4250
22 O2 Os M 6 4 3 1.456 109.547 -146.01 -0.4430
LOOP
O5 C1
DONE
YHB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 29.347 69.123 -148.90 0.3810
5 H1 H2 E 4 3 2 1.091 126.377 48.27 0.0000
6 O5 Os M 4 3 2 1.479 92.197 -66.81 -0.4270
7 C5 Cg M 6 4 3 1.483 115.750 -171.42 0.1720
8 H5 H1 E 7 6 4 1.092 107.917 -63.31 0.0000
9 C6M Cg 3 7 6 4 1.530 107.056 -179.94 0.0390
10 H1M Hc E 9 7 6 1.091 111.297 57.52 0.0000
11 H2M Hc E 9 7 6 1.091 111.709 -62.68 0.0000
12 H3M Hc E 9 7 6 1.091 111.441 177.01 0.0000
13 C4 Cg M 7 6 4 1.547 109.717 55.61 0.3880
14 H4 H1 E 13 7 6 1.092 109.750 73.54 0.0000
15 O4 Os E 13 7 6 1.438 107.632 -167.68 -0.4900
16 C3 Cg M 13 7 6 1.543 112.131 -48.94 0.1820
17 H3 H1 E 16 13 7 1.092 109.049 -68.66 0.0000
18 O3 Oh S 16 13 7 1.440 109.818 173.25 -0.6650
19 H3O Ho E 18 16 13 0.960 109.425 57.73 0.4180
20 C2 Cg M 16 13 7 1.542 112.684 51.25 0.2430
21 H2 H1 E 20 16 13 1.091 110.140 -175.78 0.0000
22 O2 Os M 20 16 13 1.446 109.350 64.20 -0.4350
LOOP
C2 C1
DONE
YKA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 C3 Cg 3 6 4 3 1.544 115.219 178.76 0.3540
9 H3 H1 E 8 6 4 1.091 109.846 -171.16 0.0000
10 C4 Cg 3 8 6 4 1.541 111.196 -48.97 0.1960
11 H4 H1 E 10 8 6 1.091 109.723 170.85 0.0000
12 C5 Cg 3 10 8 6 1.549 113.058 48.50 0.3010
13 H5 H1 E 12 10 8 1.092 107.347 66.38 0.0000
14 C6 Cg 3 12 10 8 1.535 114.885 -173.99 0.2870
15 H62 H1 E 14 12 10 1.090 110.246 -52.70 0.0000
16 H61 H1 E 14 12 10 1.091 110.887 67.51 0.0000
17 O6 Oh S 14 12 10 1.434 108.908 -172.15 -0.6910
18 H6O Ho E 17 14 12 0.960 109.471 59.53 0.4220
19 O5 Os E 12 10 8 1.489 109.902 -50.90 -0.5400
20 O4 Os E 10 8 6 1.440 107.338 -72.13 -0.4860
21 O3 Oh S 8 6 4 1.440 110.218 69.79 -0.7440
22 H3O Ho E 21 8 6 0.960 109.437 59.70 0.4360
23 O2 Os M 6 4 3 1.439 110.808 -54.40 -0.4830
LOOP
O5 C1
DONE
YKB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Oh S 9 7 6 1.441 110.162 62.18 -0.6700
13 H6O Ho E 12 9 7 0.962 108.273 -57.74 0.4160
14 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
15 H4 H1 E 14 7 6 1.091 108.867 -172.31 0.0000
16 O4 Os E 14 7 6 1.455 110.952 69.39 -0.4690
17 C3 Cg M 14 7 6 1.545 111.117 -51.77 0.2530
18 H3 H1 E 17 14 7 1.091 109.391 173.95 0.0000
19 O3 Oh S 17 14 7 1.452 107.992 -68.85 -0.7100
20 H3O Ho E 19 17 14 0.968 107.267 175.38 0.4420
21 C2 Cg M 17 14 7 1.547 111.988 52.75 0.3080
22 H2 H1 E 21 17 14 1.091 108.509 65.85 0.0000
23 O2 Os M 21 17 14 1.462 109.337 -176.76 -0.4780
LOOP
C2 C1
DONE
YLA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 C3 Cg 3 6 4 3 1.541 112.432 -178.15 0.2530
9 H3 H1 E 8 6 4 1.091 109.206 67.02 0.0000
10 C4 Cg 3 8 6 4 1.544 111.714 -53.08 0.2040
11 H4 H1 E 10 8 6 1.091 109.766 175.51 0.0000
12 C5 Cg 3 10 8 6 1.544 110.422 54.48 0.2160
13 H5 H1 E 12 10 8 1.092 107.514 62.91 0.0000
14 C6 Cg 3 12 10 8 1.535 114.934 -177.18 0.3080
15 H62 H1 E 14 12 10 1.090 110.251 -53.15 0.0000
16 H61 H1 E 14 12 10 1.091 110.918 67.08 0.0000
17 O6 Oh S 14 12 10 1.434 108.858 -172.60 -0.6840
18 H6O Ho E 17 14 12 0.960 109.466 59.52 0.4180
19 O5 Os E 12 10 8 1.490 109.289 -54.45 -0.5270
20 O4 Os E 10 8 6 1.445 109.785 -64.95 -0.4310
21 O3 Oh S 8 6 4 1.440 110.035 -174.48 -0.7010
22 H3O Ho E 21 8 6 0.960 109.438 -57.69 0.4330
23 O2 Os M 6 4 3 1.440 109.403 -55.56 -0.4870
LOOP
O5 C1
DONE
YLB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Oh S 9 7 6 1.437 109.027 63.12 -0.6930
13 H6O Ho E 12 9 7 0.961 107.830 -58.33 0.4190
14 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
15 H4 H1 E 14 7 6 1.091 109.333 -173.92 0.0000
16 O4 Os E 14 7 6 1.449 109.628 67.34 -0.4210
17 C3 Cg M 14 7 6 1.546 110.517 -53.62 0.2590
18 H3 H1 E 17 14 7 1.092 108.098 -64.81 0.0000
19 O3 Oh S 17 14 7 1.455 109.126 178.29 -0.6940
20 H3O Ho E 19 17 14 0.967 107.449 -176.92 0.4330
21 C2 Cg M 17 14 7 1.547 112.254 55.04 0.3570
22 H2 H1 E 21 17 14 1.092 109.716 67.43 0.0000
23 O2 Os M 21 17 14 1.459 108.705 -173.71 -0.4880
LOOP
C2 C1
DONE
YMA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 C3 Cg 3 6 4 3 1.545 110.571 -158.93 0.2520
9 H3 H1 E 8 6 4 1.092 108.528 64.93 0.0000
10 C4 Cg 3 8 6 4 1.549 111.609 -54.79 0.3260
11 H4 H1 E 10 8 6 1.091 109.865 -64.38 0.0000
12 C5 Cg 3 10 8 6 1.546 110.605 57.15 0.2760
13 H5 H1 E 12 10 8 1.092 108.214 65.71 0.0000
14 C6 Cg 3 12 10 8 1.544 112.153 -174.59 0.2660
15 H62 H1 E 14 12 10 1.090 110.579 -46.84 0.0000
16 H61 H1 E 14 12 10 1.091 110.051 72.33 0.0000
17 O6 Oh S 14 12 10 1.444 110.952 -166.67 -0.6880
18 H6O Ho E 17 14 12 0.960 109.923 72.72 0.4220
19 O5 Os E 12 10 8 1.497 110.394 -52.31 -0.5070
20 O4 Os E 10 8 6 1.452 108.734 176.59 -0.4890
21 O3 Oh S 8 6 4 1.461 109.595 -177.93 -0.6960
22 H3O Ho E 21 8 6 0.964 109.699 -74.81 0.4310
23 O2 Os M 6 4 3 1.459 110.007 79.71 -0.4650
LOOP
O5 C1
DONE
YMB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Oh S 9 7 6 1.439 109.850 57.44 -0.6800
13 H6O Ho E 12 9 7 0.962 108.414 -55.86 0.4190
14 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
15 H4 H1 E 14 7 6 1.091 109.789 70.94 0.0000
16 O4 Os E 14 7 6 1.452 108.352 -170.58 -0.4970
17 C3 Cg M 14 7 6 1.553 110.419 -50.51 0.2630
18 H3 H1 E 17 14 7 1.092 108.588 -60.79 0.0000
19 O3 Oh S 17 14 7 1.457 111.995 -178.50 -0.6920
20 H3O Ho E 19 17 14 0.962 109.624 81.59 0.4300
21 C2 Cg M 17 14 7 1.547 110.623 57.43 0.2410
22 H2 H1 E 21 17 14 1.091 110.076 180.00 0.0000
23 O2 Os M 21 17 14 1.459 110.769 59.28 -0.4270
LOOP
C2 C1
DONE
YNA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 C3 Cg 3 6 4 3 1.541 114.996 179.46 0.3300
9 H3 H1 E 8 6 4 1.091 109.966 -173.17 0.0000
10 C4 Cg 3 8 6 4 1.543 108.602 -52.73 0.1670
11 H4 H1 E 10 8 6 1.091 108.011 -66.83 0.0000
12 C5 Cg 3 10 8 6 1.545 113.659 53.52 0.4040
13 H5 H1 E 12 10 8 1.092 109.059 65.09 0.0000
14 C6 Cg 3 12 10 8 1.535 113.747 -172.97 0.2800
15 H62 H1 E 14 12 10 1.090 110.540 -56.41 0.0000
16 H61 H1 E 14 12 10 1.091 110.668 63.75 0.0000
17 O6 Oh S 14 12 10 1.434 109.011 -175.88 -0.6630
18 H6O Ho E 17 14 12 0.960 109.493 59.88 0.3960
19 O5 Os E 12 10 8 1.489 108.589 -53.11 -0.6110
20 O4 Os E 10 8 6 1.439 109.206 176.30 -0.4830
21 O3 Oh S 8 6 4 1.445 109.604 67.22 -0.7140
22 H3O Ho E 21 8 6 0.960 109.446 176.58 0.4410
23 O2 Os M 6 4 3 1.439 110.664 -54.19 -0.4470
LOOP
O5 C1
DONE
YNB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Oh S 9 7 6 1.438 109.178 57.79 -0.6890
13 H6O Ho E 12 9 7 0.962 107.694 -47.58 0.4180
14 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
15 H4 H1 E 14 7 6 1.091 108.641 63.49 0.0000
16 O4 Os E 14 7 6 1.447 110.674 -178.31 -0.4710
17 C3 Cg M 14 7 6 1.546 111.303 -56.16 0.2340
18 H3 H1 E 17 14 7 1.092 109.685 177.82 0.0000
19 O3 Oh S 17 14 7 1.458 109.719 -63.09 -0.6150
20 H3O Ho E 19 17 14 0.967 107.516 169.04 0.3890
21 C2 Cg M 17 14 7 1.544 109.920 57.50 0.3010
22 H2 H1 E 21 17 14 1.093 108.226 64.66 0.0000
23 O2 Os M 21 17 14 1.458 109.185 -178.16 -0.4730
LOOP
C2 C1
DONE
YOA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.395 99.023 -130.46 0.3050
5 H1 H2 E 4 3 2 1.090 24.072 100.29 0.0000
6 C2 Cg M 4 3 2 1.563 111.265 10.63 0.4130
7 H2 H1 E 6 4 3 1.091 108.988 73.46 0.0000
8 C3 Cg 3 6 4 3 1.548 110.939 -166.09 0.2510
9 H3 H1 E 8 6 4 1.092 108.206 62.18 0.0000
10 C4 Cg 3 8 6 4 1.551 110.284 -55.76 0.2670
11 H4 H1 E 10 8 6 1.091 109.469 -178.62 0.0000
12 C5 Cg 3 10 8 6 1.540 109.735 61.11 0.0540
13 H5 H1 E 12 10 8 1.092 108.800 60.69 0.0000
14 C6 C B 12 10 8 1.566 106.527 176.50 0.8960
15 O6A O2 E 14 12 10 1.252 116.529 -102.85 -0.8220
16 O6B O2 E 14 12 10 1.255 117.285 72.11 -0.8220
17 O5 Os E 12 10 8 1.515 109.060 -56.67 -0.4240
18 O4 Os E 10 8 6 1.455 111.597 -58.02 -0.4690
19 O3 Oh S 8 6 4 1.460 111.666 179.27 -0.7250
20 H3O Ho E 19 8 6 0.964 107.278 -33.23 0.4160
21 O2 Os M 6 4 3 1.464 109.237 -44.39 -0.5340
LOOP
O5 C1
DONE
YOB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.376 98.399 -136.27 0.3010
5 H1 H2 E 4 3 2 1.091 69.069 -92.25 0.0000
6 O5 Os M 4 3 2 1.462 130.396 170.60 -0.4140
7 C5 Cg M 6 4 3 1.506 116.408 147.12 0.0490
8 H5 H1 E 7 6 4 1.092 106.456 -59.37 0.0000
9 C6 C B 7 6 4 1.574 118.473 -176.63 0.8380
10 O6B O2 E 9 7 6 1.256 116.247 -176.00 -0.7940
11 O6A O2 E 9 7 6 1.254 118.706 9.49 -0.7940
12 C4 Cg M 7 6 4 1.538 109.239 56.00 0.2600
13 H4 H1 E 12 7 6 1.091 109.884 -175.27 0.0000
14 O4 Os E 12 7 6 1.450 109.662 65.53 -0.4530
15 C3 Cg M 12 7 6 1.548 110.856 -55.41 0.2590
16 H3 H1 E 15 12 7 1.092 108.063 -63.15 0.0000
17 O3 Oh S 15 12 7 1.466 108.667 -179.51 -0.7080
18 H3O Ho E 17 15 12 0.961 109.065 79.16 0.4040
19 C2 Cg M 15 12 7 1.553 111.733 55.81 0.3830
20 H2 H1 E 19 15 12 1.091 109.497 69.57 0.0000
21 O2 Os M 19 15 12 1.460 110.302 -170.66 -0.5250
LOOP
C2 C1
DONE
YQA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.541 98.563 -135.84 0.4650
5 H1 H1 E 4 3 2 1.090 143.841 166.97 0.0000
6 C2 Cg M 4 3 2 1.556 100.905 19.24 0.2810
7 H2 H1 E 6 4 3 1.091 107.701 -146.56 0.0000
8 C3 Cg 3 6 4 3 1.550 110.755 -28.22 0.3120
9 H3 H1 E 8 6 4 1.092 109.248 69.54 0.0000
10 C4 Cg 3 8 6 4 1.550 112.115 -52.01 0.2080
11 H4 H1 E 10 8 6 1.092 109.113 -67.92 0.0000
12 C5 Cg 3 10 8 6 1.546 111.848 52.85 0.2340
13 H5 H1 E 12 10 8 1.092 108.966 67.39 0.0000
14 C6 Cg 3 12 10 8 1.531 114.081 -171.50 0.0600
15 H63 Hc E 14 12 10 1.091 111.703 58.97 0.0000
16 H62 Hc E 14 12 10 1.091 111.508 -61.39 0.0000
17 H61 Hc E 14 12 10 1.091 111.279 179.14 0.0000
18 O5 Os E 12 10 8 1.487 110.112 -51.22 -0.5590
19 O4 Os E 10 8 6 1.456 109.169 173.44 -0.4550
20 O3 Oh S 8 6 4 1.451 110.060 -171.22 -0.6970
21 H3O Ho E 20 8 6 0.963 107.525 178.74 0.4240
22 O2 Os M 6 4 3 1.464 109.956 96.40 -0.4670
LOOP
O5 C1
DONE
YQB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.690 -136.00 0.3910
5 H1 H1 E 4 3 2 1.091 73.758 -94.90 0.0000
6 O5 Os M 4 3 2 1.461 131.794 163.13 -0.5350
7 C5 Cg M 6 4 3 1.486 115.375 148.89 0.2710
8 H5 H1 E 7 6 4 1.092 108.323 -60.93 0.0000
9 C6 Cg 3 7 6 4 1.530 107.192 -177.83 0.0480
10 H63 Hc E 9 7 6 1.091 111.710 -62.84 0.0000
11 H62 Hc E 9 7 6 1.091 111.509 176.79 0.0000
12 H61 Hc E 9 7 6 1.091 111.262 57.32 0.0000
13 C4 Cg M 7 6 4 1.548 109.336 58.05 0.2500
14 H4 H1 E 13 7 6 1.092 109.232 68.58 0.0000
15 O4 Os E 13 7 6 1.451 108.892 -172.72 -0.4860
16 C3 Cg M 13 7 6 1.549 111.410 -52.29 0.3000
17 H3 H1 E 16 13 7 1.092 108.988 -68.86 0.0000
18 O3 Oh S 16 13 7 1.454 108.773 173.08 -0.6890
19 H3O Ho E 18 16 13 0.966 107.391 -175.24 0.4200
20 C2 Cg M 16 13 7 1.546 112.577 52.00 0.3230
21 H2 H1 E 20 16 13 1.092 109.469 68.14 0.0000
22 O2 Os M 20 16 13 1.460 109.130 -172.95 -0.4870
LOOP
C2 C1
DONE
YRA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.589 79.139 -133.47 0.4880
5 H1 H2 E 4 3 2 1.090 27.374 95.92 0.0000
6 C2 Cg M 4 3 2 1.547 95.699 -25.09 0.2530
7 H2 H1 E 6 4 3 1.091 106.529 74.90 0.0000
8 C3 Cg 3 6 4 3 1.542 115.155 -166.91 0.3450
9 H3 H1 E 8 6 4 1.091 110.101 -172.87 0.0000
10 C4 Cg 3 8 6 4 1.542 108.334 -52.41 0.1220
11 H4 H1 E 10 8 6 1.091 108.377 -66.41 0.0000
12 C5 Cg 3 10 8 6 1.537 113.340 53.79 0.3770
13 H5E H1 E 12 10 8 1.090 110.366 -174.24 0.0000
14 H5A H1 E 12 10 8 1.091 110.701 65.98 0.0000
15 O5 Os E 12 10 8 1.483 109.246 -54.31 -0.5610
16 O4 Os E 10 8 6 1.437 110.093 175.95 -0.4380
17 O3 Oh S 8 6 4 1.445 109.646 67.35 -0.7370
18 H3O Ho E 17 8 6 0.960 109.441 178.00 0.4430
19 O2 Os M 6 4 3 1.439 110.676 -40.46 -0.4860
LOOP
O5 C1
DONE
YRB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.373 98.520 -136.09 0.4810
5 H1 H2 E 4 3 2 1.090 64.264 -93.14 0.0000
6 O5 Os M 4 3 2 1.470 130.910 172.20 -0.5760
7 C5 Cg M 6 4 3 1.488 115.378 141.01 0.3350
8 H5E H1 E 7 6 4 1.090 108.921 174.98 0.0000
9 H5A H1 E 7 6 4 1.091 109.218 -67.32 0.0000
10 C4 Cg M 7 6 4 1.549 109.926 54.38 0.2360
11 H4 H1 E 10 7 6 1.091 108.456 64.34 0.0000
12 O4 Os E 10 7 6 1.453 110.505 -177.82 -0.4780
13 C3 Cg M 10 7 6 1.548 110.878 -55.20 0.2030
14 H3 H1 E 13 10 7 1.091 109.669 178.81 0.0000
15 O3 Oh S 13 10 7 1.460 108.674 -62.27 -0.6960
16 H3O Ho E 15 13 10 0.965 108.989 -56.44 0.4280
17 C2 Cg M 13 10 7 1.550 108.635 58.91 0.3850
18 H2 H1 E 17 13 10 1.092 108.039 58.75 0.0000
19 O2 Os M 17 13 10 1.459 111.068 175.70 -0.5120
LOOP
C2 C1
DONE
YTA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 C3 Cg 3 6 4 3 1.545 112.024 178.31 0.1240
9 H3 H1 E 8 6 4 1.091 106.708 69.61 0.0000
10 C4 Cg 3 8 6 4 1.543 114.910 -48.48 0.4340
11 H4 H1 E 10 8 6 1.091 109.633 172.69 0.0000
12 C5 Cg 3 10 8 6 1.544 109.739 52.34 0.1570
13 H5 H1 E 12 10 8 1.092 107.463 63.77 0.0000
14 C6 Cg 3 12 10 8 1.535 114.896 -176.35 0.3040
15 H62 H1 E 14 12 10 1.090 110.263 -52.86 0.0000
16 H61 H1 E 14 12 10 1.091 110.896 67.37 0.0000
17 O6 Oh S 14 12 10 1.434 108.863 -172.31 -0.6690
18 H6O Ho E 17 14 12 0.960 109.462 59.57 0.4010
19 O5 Os E 12 10 8 1.488 109.541 -53.52 -0.4800
20 O4 Os E 10 8 6 1.443 110.261 -67.82 -0.5080
21 O3 Oh S 8 6 4 1.439 110.774 -174.86 -0.6870
22 H3O Ho E 21 8 6 0.960 109.479 -54.69 0.4420
23 O2 Os M 6 4 3 1.440 106.453 57.61 -0.4130
LOOP
O5 C1
DONE
YTB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Oh S 9 7 6 1.434 108.837 64.00 -0.6660
13 H6O Ho E 12 9 7 0.960 109.430 -59.34 0.4060
14 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
15 H4 H1 E 14 7 6 1.091 109.475 -172.25 0.0000
16 O4 Os E 14 7 6 1.443 108.917 69.31 -0.4070
17 C3 Cg M 14 7 6 1.547 110.218 -51.66 0.1740
18 H3 H1 E 17 14 7 1.091 106.762 -67.21 0.0000
19 O3 Oh S 17 14 7 1.439 110.707 177.22 -0.6780
20 H3O Ho E 19 17 14 0.960 109.373 -64.34 0.4250
21 C2 Cg M 17 14 7 1.545 114.890 50.96 0.3400
22 H2 H1 E 21 17 14 1.091 109.957 -172.30 0.0000
23 O2 Os M 21 17 14 1.444 109.766 67.90 -0.4340
LOOP
C2 C1
DONE
YTV INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.566 98.776 -135.85 0.4700
5 H1 H1 E 4 3 2 1.090 146.791 164.00 0.0000
6 C2 Cg M 4 3 2 1.563 96.446 20.88 0.1910
7 H2 H1 E 6 4 3 1.091 108.990 87.96 0.0000
8 C3 Cg 3 6 4 3 1.535 113.371 -33.59 -0.0140
9 H32 Hc E 8 6 4 1.093 108.757 71.70 0.0000
10 H31 Hc E 8 6 4 1.093 110.603 -172.97 0.0000
11 C4 Cg 3 8 6 4 1.535 111.168 -49.67 0.3020
12 H4 H1 E 11 8 6 1.091 109.450 -67.40 0.0000
13 C5 Cg 3 11 8 6 1.553 112.112 54.29 0.3010
14 H5 H1 E 13 11 8 1.092 108.905 64.83 0.0000
15 C6 Cg 3 13 11 8 1.530 113.975 -174.02 0.0070
16 H63 Hc E 15 13 11 1.091 111.485 -61.33 0.0000
17 H62 Hc E 15 13 11 1.091 111.681 59.00 0.0000
18 H61 Hc E 15 13 11 1.091 111.306 179.18 0.0000
19 O5 Os E 13 11 8 1.490 110.400 -53.80 -0.5160
20 O4 Os E 11 8 6 1.446 106.980 175.05 -0.4940
21 O2 Os M 6 4 3 1.451 110.808 -154.07 -0.4410
LOOP
O5 C1
DONE
YTv INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 29.383 69.065 -149.02 0.4280
5 H1 H1 E 4 3 2 1.091 126.101 64.42 0.0000
6 O5 Os M 4 3 2 1.478 96.692 -54.47 -0.4960
7 C5 Cg M 6 4 3 1.481 115.346 -169.68 0.2710
8 H5 H1 E 7 6 4 1.092 108.331 -61.04 0.0000
9 C6 Cg 3 7 6 4 1.530 107.109 -178.07 0.0170
10 H63 Hc E 9 7 6 1.091 111.734 -62.25 0.0000
11 H62 Hc E 9 7 6 1.091 111.279 57.96 0.0000
12 H61 Hc E 9 7 6 1.091 111.431 177.43 0.0000
13 C4 Cg M 7 6 4 1.544 108.725 57.81 0.2960
14 H4 H1 E 13 7 6 1.091 109.448 70.86 0.0000
15 O4 Os E 13 7 6 1.436 108.510 -170.47 -0.4980
16 C3 Cg M 13 7 6 1.542 113.120 -51.10 0.0070
17 H32 Hc E 16 13 7 1.093 110.063 -70.43 0.0000
18 H31 Hc E 16 13 7 1.092 110.313 173.67 0.0000
19 C2 Cg M 16 13 7 1.538 111.976 50.24 0.2080
20 H2 H1 E 19 16 13 1.091 109.586 -173.03 0.0000
21 O2 Os M 19 16 13 1.442 107.633 68.93 -0.4270
LOOP
C2 C1
DONE
YUA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.490 98.494 -135.80 0.3630
5 H1 H2 E 4 3 2 1.090 133.285 160.45 0.0000
6 C2 Cg M 4 3 2 1.559 106.137 19.27 0.2590
7 H2 H1 E 6 4 3 1.092 108.691 -14.77 0.0000
8 C3 Cg 3 6 4 3 1.555 110.585 -134.12 0.4170
9 H3 H1 E 8 6 4 1.092 108.809 -73.26 0.0000
10 C4 Cg 3 8 6 4 1.551 113.490 47.73 0.2230
11 H4 H1 E 10 8 6 1.092 108.495 63.78 0.0000
12 C5 Cg 3 10 8 6 1.541 110.331 -54.77 0.2320
13 H5 H1 E 12 10 8 1.091 107.517 172.11 0.0000
14 C6 C B 12 10 8 1.591 111.292 -72.79 0.6970
15 O6A O2 E 14 12 10 1.252 118.306 124.19 -0.7570
16 O6B O2 E 14 12 10 1.255 117.111 -52.87 -0.7570
17 O5 Os E 12 10 8 1.503 106.777 57.99 -0.5150
18 O4 Os E 10 8 6 1.461 110.962 -178.03 -0.5080
19 O3 Oh S 8 6 4 1.454 110.391 168.10 -0.7710
20 H3O Ho E 19 8 6 0.966 105.279 -166.24 0.4170
21 O2 Os M 6 4 3 1.469 109.784 103.84 -0.4940
LOOP
O5 C1
DONE
YUB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.486 98.866 -136.63 0.2780
5 H1 H2 E 4 3 2 1.090 81.785 -98.80 0.0000
6 O5 Os M 4 3 2 1.478 136.016 152.83 -0.4300
7 C5 Cg M 6 4 3 1.512 117.828 -89.26 0.1940
8 H5 H1 E 7 6 4 1.091 106.542 -169.54 0.0000
9 C6 C B 7 6 4 1.581 117.000 73.30 0.7500
10 O6B O2 E 9 7 6 1.255 117.682 -174.70 -0.7830
11 O6A O2 E 9 7 6 1.252 117.516 3.62 -0.7830
12 C4 Cg M 7 6 4 1.546 108.685 -54.23 0.3080
13 H4 H1 E 12 7 6 1.092 107.557 -65.54 0.0000
14 O4 Os E 12 7 6 1.456 111.691 177.10 -0.5170
15 C3 Cg M 12 7 6 1.552 112.015 52.87 0.2860
16 H3 H1 E 15 12 7 1.091 109.935 64.98 0.0000
17 O3 Oh S 15 12 7 1.460 108.958 -175.86 -0.7550
18 H3O Ho E 17 15 12 0.968 105.498 -44.40 0.4210
19 C2 Cg M 15 12 7 1.545 109.635 -56.37 0.2890
20 H2 H1 E 19 15 12 1.091 107.746 -60.80 0.0000
21 O2 Os M 19 15 12 1.455 110.598 -177.09 -0.4520
LOOP
C2 C1
DONE
YXA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.552 98.376 -135.65 0.4820
5 H1 H2 E 4 3 2 1.090 143.066 154.55 0.0000
6 C2 Cg M 4 3 2 1.552 98.681 14.07 0.1970
7 H2 H1 E 6 4 3 1.091 107.726 -152.01 0.0000
8 C3 Cg 3 6 4 3 1.543 111.214 -33.26 0.3590
9 H3 H1 E 8 6 4 1.092 109.408 69.19 0.0000
10 C4 Cg 3 8 6 4 1.547 112.192 -52.80 0.2470
11 H4 H1 E 10 8 6 1.091 109.623 -66.19 0.0000
12 C5 Cg 3 10 8 6 1.539 110.634 53.97 0.3350
13 H5E H1 E 12 10 8 1.090 109.984 -172.58 0.0000
14 H5A H1 E 12 10 8 1.091 110.140 68.68 0.0000
15 O5 Os E 12 10 8 1.489 111.025 -51.97 -0.5880
16 O4 Os E 10 8 6 1.453 110.240 174.10 -0.4940
17 O3 Oh S 8 6 4 1.451 108.116 -172.55 -0.7120
18 H3O Ho E 17 8 6 0.966 107.240 -43.40 0.4210
19 O2 Os M 6 4 3 1.464 111.006 90.26 -0.4410
LOOP
O5 C1
DONE
YXB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.682 98.802 -135.60 0.2480
5 H1 H2 E 4 3 2 1.091 72.415 -93.43 0.0000
6 O5 Os M 4 3 2 1.466 132.232 166.71 -0.4470
7 C5 Cg M 6 4 3 1.482 115.196 148.40 0.3030
8 H5E H1 E 7 6 4 1.090 109.061 178.41 0.0000
9 H5A H1 E 7 6 4 1.092 109.076 -63.64 0.0000
10 C4 Cg M 7 6 4 1.541 109.795 57.60 0.2860
11 H4 H1 E 10 7 6 1.091 109.061 67.02 0.0000
12 O4 Os E 10 7 6 1.447 108.470 -174.60 -0.4870
13 C3 Cg M 10 7 6 1.546 111.571 -54.26 0.2280
14 H3 H1 E 13 10 7 1.092 109.010 -67.31 0.0000
15 O3 Oh S 13 10 7 1.458 108.945 174.50 -0.6820
16 H3O Ho E 15 13 10 0.967 108.169 -177.96 0.4270
17 C2 Cg M 13 10 7 1.547 111.370 53.00 0.4250
18 H2 H1 E 17 13 10 1.092 109.571 69.62 0.0000
19 O2 Os M 17 13 10 1.452 108.733 -171.44 -0.4950
LOOP
C2 C1
DONE
YZA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.420 99.000 -130.34 0.3980
5 H1 H2 E 4 3 2 1.090 21.912 102.13 0.0000
6 C2 Cg M 4 3 2 1.551 109.472 7.93 0.3260
7 H2 H1 E 6 4 3 1.091 107.487 74.75 0.0000
8 C3 Cg 3 6 4 3 1.547 112.398 -166.09 0.3000
9 H3 H1 E 8 6 4 1.092 108.680 71.61 0.0000
10 C4 Cg 3 8 6 4 1.555 112.948 -49.44 0.1930
11 H4 H1 E 10 8 6 1.091 109.268 -72.54 0.0000
12 C5 Cg 3 10 8 6 1.550 113.190 48.46 0.1870
13 H5 H1 E 12 10 8 1.092 106.693 67.16 0.0000
14 C6 C B 12 10 8 1.597 111.674 -179.86 0.7980
15 O6A O2 E 14 12 10 1.259 117.589 -37.92 -0.7870
16 O6B O2 E 14 12 10 1.252 118.424 145.06 -0.7870
17 O5 Os E 12 10 8 1.515 110.155 -47.11 -0.5440
18 O4 Os E 10 8 6 1.452 109.657 168.36 -0.4540
19 O3 Oh S 8 6 4 1.458 107.208 -171.22 -0.7430
20 H3O Ho E 19 8 6 0.962 107.044 -49.33 0.4390
21 O2 Os M 6 4 3 1.467 110.139 -42.45 -0.5200
LOOP
O5 C1
DONE
YZB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.413 98.374 -136.24 0.2510
5 H1 H2 E 4 3 2 1.091 70.111 -94.11 0.0000
6 O5 Os M 4 3 2 1.460 133.490 168.28 -0.4130
7 C5 Cg M 6 4 3 1.502 116.304 144.38 0.0750
8 H5 H1 E 7 6 4 1.092 106.868 -58.62 0.0000
9 C6 C B 7 6 4 1.584 116.788 -176.23 0.8930
10 O6B O2 E 9 7 6 1.258 117.333 -166.06 -0.8180
11 O6A O2 E 9 7 6 1.252 118.262 15.31 -0.8180
12 C4 Cg M 7 6 4 1.542 108.303 57.48 0.2670
13 H4 H1 E 12 7 6 1.092 108.248 69.44 0.0000
14 O4 Os E 12 7 6 1.449 108.907 -172.84 -0.4980
15 C3 Cg M 12 7 6 1.552 113.280 -51.87 0.2660
16 H3 H1 E 15 12 7 1.092 108.760 -69.98 0.0000
17 O3 Oh S 15 12 7 1.459 107.412 172.72 -0.7010
18 H3O Ho E 17 15 12 0.966 105.666 48.32 0.4030
19 C2 Cg M 15 12 7 1.551 112.291 50.40 0.4110
20 H2 H1 E 19 15 12 1.092 109.200 71.99 0.0000
21 O2 Os M 19 15 12 1.458 111.055 -168.01 -0.5120
LOOP
C2 C1
DONE
YaA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.188 125.377 -138.64 0.4480
5 H1 H2 E 4 3 2 1.091 32.906 146.73 0.0000
6 O5 Os M 4 3 2 1.484 133.629 99.38 -0.5640
7 C5 Cg M 6 4 3 1.479 117.874 -165.14 0.3790
8 H5A H1 E 7 6 4 1.091 109.412 64.62 0.0000
9 H5E H1 E 7 6 4 1.090 109.141 -176.99 0.0000
10 C4 Cg M 7 6 4 1.532 108.551 -56.56 0.2450
11 H4 H1 E 10 7 6 1.091 108.287 -64.52 0.0000
12 O4 Os E 10 7 6 1.437 109.023 178.50 -0.5080
13 C3 Cg M 10 7 6 1.543 112.944 55.64 0.3350
14 H3 H1 E 13 10 7 1.091 109.892 -174.01 0.0000
15 O3 Oh S 13 10 7 1.441 110.011 67.03 -0.7720
16 H3O Ho E 15 13 10 0.960 109.473 179.30 0.4610
17 C2 Cg M 13 10 7 1.543 111.532 -51.47 0.2680
18 H2 H1 E 17 13 10 1.092 109.910 169.41 0.0000
19 O2 Os M 17 13 10 1.437 107.286 -74.11 -0.4860
LOOP
C2 C1
DONE
YaB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.197 114.912 -133.16 0.3790
5 H1 H2 E 4 3 2 1.091 60.190 -69.03 0.0000
6 C2 Cg M 4 3 2 1.563 137.254 -156.94 0.3000
7 H2 H1 E 6 4 3 1.091 109.469 14.39 0.0000
8 C3 Cg 3 6 4 3 1.543 109.402 134.96 0.2970
9 H3 H1 E 8 6 4 1.091 109.527 174.23 0.0000
10 C4 Cg 3 8 6 4 1.551 111.469 53.21 0.2240
11 H4 H1 E 10 8 6 1.091 108.923 64.26 0.0000
12 C5 Cg 3 10 8 6 1.546 111.087 -54.81 0.3560
13 H5A H1 E 12 10 8 1.091 110.570 -66.53 0.0000
14 H5E H1 E 12 10 8 1.090 109.958 174.33 0.0000
15 O5 Os E 12 10 8 1.485 110.184 54.27 -0.5290
16 O4 Os E 10 8 6 1.458 110.429 -177.71 -0.4840
17 O3 Oh S 8 6 4 1.454 108.942 -67.85 -0.6680
18 H3O Ho E 17 8 6 0.966 107.607 169.51 0.4070
19 O2 Os M 6 4 3 1.460 111.691 -105.49 -0.4760
LOOP
O5 C1
DONE
YdA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.386 115.065 -132.97 0.3980
5 H1 H2 E 4 3 2 1.090 122.721 39.39 0.0000
6 O5 Os M 4 3 2 1.470 69.754 -59.92 -0.4870
7 C5 Cg M 6 4 3 1.490 117.560 -72.03 0.2750
8 H5A H1 E 7 6 4 1.092 108.478 71.52 0.0000
9 H5E H1 E 7 6 4 1.090 108.927 -171.44 0.0000
10 C4 Cg M 7 6 4 1.543 111.684 -49.69 0.3510
11 H4 H1 E 10 7 6 1.091 109.854 -69.03 0.0000
12 O4 Os E 10 7 6 1.447 108.472 171.92 -0.4830
13 C3 Cg M 10 7 6 1.545 110.247 52.70 0.1840
14 H3 H1 E 13 10 7 1.091 108.583 60.91 0.0000
15 O3 Oh S 13 10 7 1.459 110.859 178.21 -0.6550
16 H3O Ho E 15 13 10 0.962 110.146 169.76 0.4170
17 C2 Cg M 13 10 7 1.549 111.008 -57.45 0.2460
18 H2 H1 E 17 13 10 1.091 109.256 175.96 0.0000
19 O2 Os M 17 13 10 1.458 110.247 -65.62 -0.4400
LOOP
C2 C1
DONE
YdB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.553 116.316 -128.93 0.4480
5 H1 H2 E 4 3 2 1.091 113.723 25.37 0.0000
6 C2 Cg M 4 3 2 1.543 134.009 -175.87 0.2260
7 H2 H1 E 6 4 3 1.091 110.247 141.57 0.0000
8 C3 Cg 3 6 4 3 1.543 109.102 -97.36 0.2010
9 H3 H1 E 8 6 4 1.092 108.078 -65.99 0.0000
10 C4 Cg 3 8 6 4 1.543 112.432 54.46 0.3350
11 H4 H1 E 10 8 6 1.091 110.326 70.31 0.0000
12 C5 Cg 3 10 8 6 1.539 111.797 -51.79 0.2750
13 H5A H1 E 12 10 8 1.092 110.541 -69.74 0.0000
14 H5E H1 E 12 10 8 1.090 110.214 170.80 0.0000
15 O5 Os E 12 10 8 1.480 110.071 50.34 -0.5190
16 O4 Os E 10 8 6 1.436 108.765 -169.83 -0.4670
17 O3 Oh S 8 6 4 1.440 109.342 176.73 -0.7010
18 H3O Ho E 17 8 6 0.960 109.476 177.81 0.4320
19 O2 Os M 6 4 3 1.446 108.761 21.88 -0.4240
LOOP
O5 C1
DONE
YeA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Oh S 9 7 6 1.434 108.916 -64.43 -0.6630
13 H6O Ho E 12 9 7 0.960 109.470 -59.69 0.4060
14 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
15 H4 H1 E 14 7 6 1.091 108.456 -65.22 0.0000
16 O4 Os E 14 7 6 1.439 109.886 177.28 -0.5000
17 C3 Cg M 14 7 6 1.544 113.133 54.81 0.3280
18 H3 H1 E 17 14 7 1.091 109.843 -174.05 0.0000
19 O3 Oh S 17 14 7 1.442 110.012 67.08 -0.7140
20 H3O Ho E 19 17 14 0.960 109.461 179.72 0.4200
21 C2 Cg M 17 14 7 1.541 111.809 -51.50 0.1790
22 H2 H1 E 21 17 14 1.092 109.967 169.74 0.0000
23 O2 Os M 21 17 14 1.437 107.327 -73.67 -0.4370
LOOP
C2 C1
DONE
YeB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 C3 Cg 3 6 4 3 1.540 108.887 135.69 0.3150
9 H3 H1 E 8 6 4 1.091 109.473 176.26 0.0000
10 C4 Cg 3 8 6 4 1.554 111.264 55.47 0.3200
11 H4 H1 E 10 8 6 1.091 108.716 63.72 0.0000
12 C5 Cg 3 10 8 6 1.549 111.196 -55.77 0.2570
13 H5 H1 E 12 10 8 1.092 109.111 -65.44 0.0000
14 C6 Cg 3 12 10 8 1.541 112.018 174.42 0.2780
15 H61 H1 E 14 12 10 1.090 110.614 60.34 0.0000
16 H62 H1 E 14 12 10 1.091 110.136 -59.38 0.0000
17 O6 Oh S 14 12 10 1.439 109.977 -179.42 -0.6770
18 H6O Ho E 17 14 12 0.962 108.042 50.79 0.4080
19 O5 Os E 12 10 8 1.501 109.730 53.07 -0.5320
20 O4 Os E 10 8 6 1.457 110.079 -178.65 -0.4980
21 O3 Oh S 8 6 4 1.454 108.210 -66.23 -0.6810
22 H3O Ho E 21 8 6 0.965 108.397 172.17 0.4030
23 O2 Os M 6 4 3 1.463 112.571 -104.80 -0.4590
LOOP
O5 C1
DONE
YfA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.290 114.938 -133.05 0.3990
5 H1 H2 E 4 3 2 1.090 120.789 32.75 0.0000
6 O5 Os M 4 3 2 1.472 68.244 -66.42 -0.4940
7 C5 Cg M 6 4 3 1.495 116.875 -70.92 0.1870
8 H5 H1 E 7 6 4 1.091 107.622 67.25 0.0000
9 C6 Cg 3 7 6 4 1.531 107.907 -177.50 0.0650
10 H61 Hc E 9 7 6 1.091 112.013 60.69 0.0000
11 H62 Hc E 9 7 6 1.091 111.136 -59.35 0.0000
12 H63 Hc E 9 7 6 1.090 111.280 -178.78 0.0000
13 C4 Cg M 7 6 4 1.554 111.650 -50.04 0.2630
14 H4 H1 E 13 7 6 1.091 108.736 170.14 0.0000
15 O4 Os E 13 7 6 1.452 110.366 -71.52 -0.4860
16 C3 Cg M 13 7 6 1.549 111.442 50.00 0.2280
17 H3 H1 E 16 13 7 1.091 108.535 63.68 0.0000
18 O3 Oh S 16 13 7 1.464 109.243 -179.40 -0.6930
19 H3O Ho E 18 16 13 0.965 108.720 -158.83 0.4260
20 C2 Cg M 16 13 7 1.550 109.944 -55.77 0.4560
21 H2 H1 E 20 16 13 1.091 109.004 -59.37 0.0000
22 O2 Os M 20 16 13 1.463 111.178 -176.89 -0.5450
LOOP
C2 C1
DONE
YfB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.094 122.532 -140.40 0.4180
5 H1 H2 E 4 3 2 1.091 73.877 -8.00 0.0000
6 C2 Cg M 4 3 2 1.545 109.309 -114.38 0.3460
7 H2 H1 E 6 4 3 1.092 110.063 -86.50 0.0000
8 C3 Cg 3 6 4 3 1.542 111.933 150.88 0.2550
9 H3 H1 E 8 6 4 1.092 108.986 -69.25 0.0000
10 C4 Cg 3 8 6 4 1.542 112.898 50.54 0.2290
11 H4 H1 E 10 8 6 1.091 109.948 -175.33 0.0000
12 C5 Cg 3 10 8 6 1.543 109.625 -54.44 0.1060
13 H5 H1 E 12 10 8 1.092 108.258 -61.07 0.0000
14 C6 Cg 3 12 10 8 1.531 115.663 178.40 0.0920
15 H61 Hc E 14 12 10 1.091 111.160 177.14 0.0000
16 H62 Hc E 14 12 10 1.091 112.070 -62.71 0.0000
17 H63 Hc E 14 12 10 1.091 111.199 57.72 0.0000
18 O5 Os E 12 10 8 1.481 108.818 56.43 -0.4420
19 O4 Os E 10 8 6 1.445 109.758 64.85 -0.4300
20 O3 Oh S 8 6 4 1.440 109.807 172.76 -0.6760
21 H3O Ho E 20 8 6 0.960 109.419 57.20 0.4270
22 O2 Os M 6 4 3 1.439 107.580 32.59 -0.5190
LOOP
O5 C1
DONE
YgA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Oh S 9 7 6 1.444 110.823 -72.03 -0.6820
13 H6O Ho E 12 9 7 0.960 109.735 -78.35 0.4180
14 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
15 H4 H1 E 14 7 6 1.092 109.342 -68.48 0.0000
16 O4 Os E 14 7 6 1.451 108.995 172.71 -0.4680
17 C3 Cg M 14 7 6 1.547 111.254 52.54 0.2860
18 H3 H1 E 17 14 7 1.092 109.616 66.99 0.0000
19 O3 Oh S 17 14 7 1.452 108.604 -174.42 -0.6990
20 H3O Ho E 19 17 14 0.967 107.382 165.20 0.4270
21 C2 Cg M 17 14 7 1.543 112.114 -54.50 0.2460
22 H2 H1 E 21 17 14 1.091 108.373 -65.99 0.0000
23 O2 Os M 21 17 14 1.465 110.086 176.46 -0.4700
LOOP
C2 C1
DONE
YgB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 C3 Cg 3 6 4 3 1.545 110.380 140.59 0.2840
9 H3 H1 E 8 6 4 1.092 109.008 -69.00 0.0000
10 C4 Cg 3 8 6 4 1.548 112.113 51.91 0.2760
11 H4 H1 E 10 8 6 1.092 109.378 67.39 0.0000
12 C5 Cg 3 10 8 6 1.543 111.306 -53.55 0.2250
13 H5 H1 E 12 10 8 1.092 109.126 -64.00 0.0000
14 C6 Cg 3 12 10 8 1.541 112.515 175.39 0.2820
15 H61 H1 E 14 12 10 1.090 110.609 61.43 0.0000
16 H62 H1 E 14 12 10 1.091 110.212 -58.37 0.0000
17 O6 Oh S 14 12 10 1.440 109.810 -178.39 -0.6880
18 H6O Ho E 17 14 12 0.962 108.265 53.10 0.4240
19 O5 Os E 12 10 8 1.495 108.909 54.04 -0.4710
20 O4 Os E 10 8 6 1.448 109.104 -173.75 -0.4680
21 O3 Oh S 8 6 4 1.454 109.219 172.60 -0.7090
22 H3O Ho E 21 8 6 0.967 107.396 52.27 0.4320
23 O2 Os M 6 4 3 1.458 110.080 20.25 -0.4750
LOOP
O5 C1
DONE
YhA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.373 114.818 -133.12 0.3940
5 H1 H2 E 4 3 2 1.090 123.975 26.37 0.0000
6 O5 Os M 4 3 2 1.473 66.142 -70.59 -0.4610
7 C5 Cg M 6 4 3 1.486 117.952 -69.56 0.2790
8 H5 H1 E 7 6 4 1.092 108.099 67.53 0.0000
9 C6 Cg 3 7 6 4 1.530 106.736 -176.09 0.0230
10 H61 Hc E 9 7 6 1.091 111.668 63.20 0.0000
11 H62 Hc E 9 7 6 1.091 111.314 -56.98 0.0000
12 H63 Hc E 9 7 6 1.090 111.509 -176.49 0.0000
13 C4 Cg M 7 6 4 1.549 110.695 -51.67 0.1870
14 H4 H1 E 13 7 6 1.091 109.781 -68.51 0.0000
15 O4 Os E 13 7 6 1.456 109.491 172.11 -0.4330
16 C3 Cg M 13 7 6 1.545 110.317 52.49 0.2360
17 H3 H1 E 16 13 7 1.092 108.830 64.14 0.0000
18 O3 Oh S 16 13 7 1.452 109.689 -178.23 -0.6490
19 H3O Ho E 18 16 13 0.965 106.808 -52.52 0.4250
20 C2 Cg M 16 13 7 1.545 112.380 -55.89 0.2480
21 H2 H1 E 20 16 13 1.091 109.364 174.25 0.0000
22 O2 Os M 20 16 13 1.456 109.714 -67.50 -0.4430
LOOP
C2 C1
DONE
YhB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 42.030 124.543 -153.41 0.3810
5 H1 H2 E 4 3 2 1.091 139.785 159.66 0.0000
6 C2 Cg M 4 3 2 1.542 96.846 27.94 0.2430
7 H2 H1 E 6 4 3 1.091 110.263 89.84 0.0000
8 C3 Cg 3 6 4 3 1.542 108.951 -149.17 0.1820
9 H3 H1 E 8 6 4 1.092 107.999 -65.80 0.0000
10 C4 Cg 3 8 6 4 1.543 112.684 54.72 0.3880
11 H4 H1 E 10 8 6 1.092 109.930 71.13 0.0000
12 C5 Cg 3 10 8 6 1.547 112.131 -51.25 0.1720
13 H5 H1 E 12 10 8 1.092 109.230 -69.17 0.0000
14 C6M Cg 3 12 10 8 1.530 114.214 169.13 0.0390
15 H3M Hc E 14 12 10 1.091 111.441 61.33 0.0000
16 H2M Hc E 14 12 10 1.091 111.709 -58.98 0.0000
17 H1M Hc E 14 12 10 1.091 111.297 -179.18 0.0000
18 O5 Os E 12 10 8 1.483 109.717 48.94 -0.4270
19 O4 Os E 10 8 6 1.438 108.082 -169.72 -0.4900
20 O3 Oh S 8 6 4 1.440 109.222 177.05 -0.6650
21 H3O Ho E 20 8 6 0.960 109.425 178.23 0.4180
22 O2 Os M 6 4 3 1.446 108.900 -29.97 -0.4350
LOOP
O5 C1
DONE
YkA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Oh S 9 7 6 1.434 108.908 -64.18 -0.6910
13 H6O Ho E 12 9 7 0.960 109.471 -59.53 0.4220
14 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
15 H4 H1 E 14 7 6 1.091 109.347 173.46 0.0000
16 O4 Os E 14 7 6 1.440 109.315 -68.60 -0.4860
17 C3 Cg M 14 7 6 1.541 113.058 50.90 0.3540
18 H3 H1 E 17 14 7 1.091 110.148 -170.51 0.0000
19 O3 Oh S 17 14 7 1.440 107.217 72.05 -0.7440
20 H3O Ho E 19 17 14 0.960 109.437 179.14 0.4360
21 C2 Cg M 17 14 7 1.544 111.196 -48.50 0.2810
22 H2 H1 E 21 17 14 1.091 106.696 -68.80 0.0000
23 O2 Os M 21 17 14 1.439 110.836 175.80 -0.4830
LOOP
C2 C1
DONE
YkB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 C3 Cg 3 6 4 3 1.547 110.415 140.23 0.2530
9 H3 H1 E 8 6 4 1.091 109.195 174.71 0.0000
10 C4 Cg 3 8 6 4 1.545 111.988 53.40 0.2170
11 H4 H1 E 10 8 6 1.091 109.393 -172.98 0.0000
12 C5 Cg 3 10 8 6 1.553 111.117 -52.75 0.3030
13 H5 H1 E 12 10 8 1.092 107.789 -66.12 0.0000
14 C6 Cg 3 12 10 8 1.542 113.025 175.07 0.2590
15 H61 H1 E 14 12 10 1.090 110.096 53.77 0.0000
16 H62 H1 E 14 12 10 1.090 110.533 -65.83 0.0000
17 O6 Oh S 14 12 10 1.441 110.162 173.71 -0.6700
18 H6O Ho E 17 14 12 0.962 108.273 57.74 0.4160
19 O5 Os E 12 10 8 1.499 110.891 51.77 -0.5140
20 O4 Os E 10 8 6 1.455 108.780 69.68 -0.4690
21 O3 Oh S 8 6 4 1.452 110.271 -66.88 -0.7100
22 H3O Ho E 21 8 6 0.968 107.267 -52.72 0.4420
23 O2 Os M 6 4 3 1.462 111.766 18.28 -0.4780
LOOP
O5 C1
DONE
YlA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Oh S 9 7 6 1.434 108.858 -64.45 -0.6840
13 H6O Ho E 12 9 7 0.960 109.466 -59.52 0.4180
14 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
15 H4 H1 E 14 7 6 1.091 109.671 175.54 0.0000
16 O4 Os E 14 7 6 1.445 108.372 -65.83 -0.4310
17 C3 Cg M 14 7 6 1.544 110.422 54.45 0.2530
18 H3 H1 E 17 14 7 1.091 108.559 66.00 0.0000
19 O3 Oh S 17 14 7 1.440 109.147 -176.39 -0.7010
20 H3O Ho E 19 17 14 0.960 109.438 -179.39 0.4330
21 C2 Cg M 17 14 7 1.541 111.714 -54.48 0.3390
22 H2 H1 E 21 17 14 1.091 108.995 -66.63 0.0000
23 O2 Os M 21 17 14 1.440 110.049 175.31 -0.4870
LOOP
C2 C1
DONE
YlB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 C3 Cg 3 6 4 3 1.547 110.130 140.44 0.2590
9 H3 H1 E 8 6 4 1.092 108.676 -66.21 0.0000
10 C4 Cg 3 8 6 4 1.546 112.254 53.31 0.2030
11 H4 H1 E 10 8 6 1.091 109.260 -175.38 0.0000
12 C5 Cg 3 10 8 6 1.545 110.517 -55.04 0.1400
13 H5 H1 E 12 10 8 1.092 107.648 -63.90 0.0000
14 C6 Cg 3 12 10 8 1.539 113.155 176.88 0.3190
15 H61 H1 E 14 12 10 1.090 110.337 53.86 0.0000
16 H62 H1 E 14 12 10 1.091 110.848 -66.38 0.0000
17 O6 Oh S 14 12 10 1.437 109.027 173.44 -0.6930
18 H6O Ho E 17 14 12 0.961 107.830 58.33 0.4190
19 O5 Os E 12 10 8 1.495 110.103 53.62 -0.4020
20 O4 Os E 10 8 6 1.449 109.638 65.91 -0.4210
21 O3 Oh S 8 6 4 1.455 110.815 175.60 -0.6940
22 H3O Ho E 21 8 6 0.967 107.449 52.82 0.4330
23 O2 Os M 6 4 3 1.459 109.860 20.73 -0.4880
LOOP
O5 C1
DONE
YmA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Oh S 9 7 6 1.444 110.952 -70.49 -0.6880
13 H6O Ho E 12 9 7 0.960 109.923 -72.72 0.4220
14 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
15 H4 H1 E 14 7 6 1.091 109.924 -69.18 0.0000
16 O4 Os E 14 7 6 1.452 108.824 171.70 -0.4890
17 C3 Cg M 14 7 6 1.549 110.605 52.31 0.2520
18 H3 H1 E 17 14 7 1.092 108.663 62.49 0.0000
19 O3 Oh S 17 14 7 1.461 110.813 -179.59 -0.6960
20 H3O Ho E 19 17 14 0.964 109.699 -161.58 0.4310
21 C2 Cg M 17 14 7 1.545 111.609 -57.15 0.2450
22 H2 H1 E 21 17 14 1.091 109.207 175.17 0.0000
23 O2 Os M 21 17 14 1.459 109.731 -66.73 -0.4650
LOOP
C2 C1
DONE
YmB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 C3 Cg 3 6 4 3 1.547 107.300 140.06 0.2630
9 H3 H1 E 8 6 4 1.092 107.890 -58.13 0.0000
10 C4 Cg 3 8 6 4 1.553 110.623 60.52 0.3490
11 H4 H1 E 10 8 6 1.091 109.997 63.90 0.0000
12 C5 Cg 3 10 8 6 1.550 110.419 -57.43 0.2060
13 H5 H1 E 12 10 8 1.092 108.705 -67.76 0.0000
14 C6 Cg 3 12 10 8 1.539 111.873 172.30 0.2730
15 H61 H1 E 14 12 10 1.090 110.558 59.60 0.0000
16 H62 H1 E 14 12 10 1.091 110.262 -60.18 0.0000
17 O6 Oh S 14 12 10 1.439 109.850 179.68 -0.6800
18 H6O Ho E 17 14 12 0.962 108.414 55.86 0.4190
19 O5 Os E 12 10 8 1.498 110.843 50.51 -0.3930
20 O4 Os E 10 8 6 1.452 109.624 -176.73 -0.4970
21 O3 Oh S 8 6 4 1.457 110.746 -174.70 -0.6920
22 H3O Ho E 21 8 6 0.962 109.624 154.41 0.4300
23 O2 Os M 6 4 3 1.459 109.767 -99.50 -0.4270
LOOP
O5 C1
DONE
YnA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Oh S 9 7 6 1.434 109.011 -63.74 -0.6630
13 H6O Ho E 12 9 7 0.960 109.493 -59.88 0.3960
14 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
15 H4 H1 E 14 7 6 1.091 108.424 -67.01 0.0000
16 O4 Os E 14 7 6 1.439 109.651 175.64 -0.4830
17 C3 Cg M 14 7 6 1.543 113.659 53.11 0.3300
18 H3 H1 E 17 14 7 1.091 110.022 -173.93 0.0000
19 O3 Oh S 17 14 7 1.445 109.798 66.31 -0.7140
20 H3O Ho E 19 17 14 0.960 109.446 64.20 0.4410
21 C2 Cg M 17 14 7 1.541 108.602 -53.52 0.2280
22 H2 H1 E 21 17 14 1.091 106.837 -65.32 0.0000
23 O2 Os M 21 17 14 1.439 110.703 179.06 -0.4470
LOOP
C2 C1
DONE
YnB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 C3 Cg 3 6 4 3 1.544 110.844 141.66 0.2340
9 H3 H1 E 8 6 4 1.092 109.398 175.17 0.0000
10 C4 Cg 3 8 6 4 1.546 109.920 54.68 0.2860
11 H4 H1 E 10 8 6 1.091 108.699 62.12 0.0000
12 C5 Cg 3 10 8 6 1.547 111.303 -57.50 0.1980
13 H5 H1 E 12 10 8 1.091 109.233 -61.92 0.0000
14 C6 Cg 3 12 10 8 1.541 112.741 177.70 0.3130
15 H61 H1 E 14 12 10 1.090 110.689 61.33 0.0000
16 H62 H1 E 14 12 10 1.090 110.338 -58.85 0.0000
17 O6 Oh S 14 12 10 1.438 109.178 -178.76 -0.6890
18 H6O Ho E 17 14 12 0.962 107.694 47.58 0.4180
19 O5 Os E 12 10 8 1.500 108.536 56.16 -0.5070
20 O4 Os E 10 8 6 1.447 109.608 179.74 -0.4710
21 O3 Oh S 8 6 4 1.458 109.599 -65.98 -0.6150
22 H3O Ho E 21 8 6 0.967 107.516 -48.26 0.3890
23 O2 Os M 6 4 3 1.458 111.714 19.64 -0.4730
LOOP
O5 C1
DONE
YoA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.463 117.245 -129.47 0.3050
5 H1 H2 E 4 3 2 1.090 34.578 150.44 0.0000
6 O5 Os M 4 3 2 1.471 105.819 50.53 -0.4240
7 C5 Cg M 6 4 3 1.515 118.146 -155.23 0.0540
8 H5 H1 E 7 6 4 1.092 107.817 65.63 0.0000
9 C6 C B 7 6 4 1.566 116.761 -173.10 0.8960
10 O6B O2 E 9 7 6 1.255 117.285 49.97 -0.8220
11 O6A O2 E 9 7 6 1.252 116.529 -135.07 -0.8220
12 C4 Cg M 7 6 4 1.540 109.060 -52.35 0.2670
13 H4 H1 E 12 7 6 1.091 109.560 176.88 0.0000
14 O4 Os E 12 7 6 1.455 107.562 -64.91 -0.4690
15 C3 Cg M 12 7 6 1.551 109.735 56.67 0.2510
16 H3 H1 E 15 12 7 1.092 108.010 56.95 0.0000
17 O3 Oh S 15 12 7 1.460 111.816 174.01 -0.7250
18 H3O Ho E 17 15 12 0.964 107.278 157.34 0.4160
19 C2 Cg M 15 12 7 1.548 110.284 -61.11 0.4130
20 H2 H1 E 19 15 12 1.091 109.347 -64.48 0.0000
21 O2 Os M 19 15 12 1.464 110.220 176.88 -0.5340
LOOP
C2 C1
DONE
YoB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.219 115.043 -133.41 0.3010
5 H1 H2 E 4 3 2 1.091 63.366 -68.89 0.0000
6 C2 Cg M 4 3 2 1.559 138.871 -159.91 0.3830
7 H2 H1 E 6 4 3 1.091 109.614 -94.43 0.0000
8 C3 Cg 3 6 4 3 1.553 110.962 144.51 0.2590
9 H3 H1 E 8 6 4 1.092 108.228 -67.30 0.0000
10 C4 Cg 3 8 6 4 1.548 111.733 51.56 0.2600
11 H4 H1 E 10 8 6 1.091 108.447 -176.52 0.0000
12 C5 Cg 3 10 8 6 1.538 110.856 -55.81 0.0490
13 H5 H1 E 12 10 8 1.092 107.135 -59.52 0.0000
14 C6 C B 12 10 8 1.574 110.283 -172.73 0.8380
15 O6A O2 E 14 12 10 1.254 118.706 -136.36 -0.7940
16 O6B O2 E 14 12 10 1.256 116.247 49.13 -0.7940
17 O5 Os E 12 10 8 1.506 109.239 55.41 -0.4140
18 O4 Os E 10 8 6 1.450 109.430 65.27 -0.4530
19 O3 Oh S 8 6 4 1.466 112.472 174.09 -0.7080
20 H3O Ho E 19 8 6 0.961 109.065 156.60 0.4040
21 O2 Os M 6 4 3 1.460 107.566 23.78 -0.5250
LOOP
O5 C1
DONE
YqA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.363 114.978 -133.03 0.4650
5 H1 H1 E 4 3 2 1.090 121.763 32.99 0.0000
6 O5 Os M 4 3 2 1.467 70.798 -67.46 -0.5590
7 C5 Cg M 6 4 3 1.487 117.291 -66.87 0.2340
8 H5 H1 E 7 6 4 1.092 108.269 65.21 0.0000
9 C6 Cg 3 7 6 4 1.531 106.976 -178.31 0.0600
10 H61 Hc E 9 7 6 1.091 111.279 -57.12 0.0000
11 H62 Hc E 9 7 6 1.091 111.508 -176.59 0.0000
12 H63 Hc E 9 7 6 1.091 111.703 63.05 0.0000
13 C4 Cg M 7 6 4 1.546 110.112 -53.83 0.2080
14 H4 H1 E 13 7 6 1.092 109.076 -69.57 0.0000
15 O4 Os E 13 7 6 1.456 108.902 171.97 -0.4550
16 C3 Cg M 13 7 6 1.550 111.848 51.22 0.3120
17 H3 H1 E 16 13 7 1.092 109.484 68.56 0.0000
18 O3 Oh S 16 13 7 1.451 107.191 -173.73 -0.6970
19 H3O Ho E 18 16 13 0.963 107.525 -56.57 0.4240
20 C2 Cg M 16 13 7 1.550 112.115 -52.85 0.2810
21 H2 H1 E 20 16 13 1.091 108.369 -65.92 0.0000
22 O2 Os M 20 16 13 1.464 112.236 175.32 -0.4670
LOOP
C2 C1
DONE
YqB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.342 114.850 -133.09 0.3910
5 H1 H1 E 4 3 2 1.091 66.637 -64.20 0.0000
6 C2 Cg M 4 3 2 1.554 136.503 -160.98 0.3230
7 H2 H1 E 6 4 3 1.092 109.276 -93.94 0.0000
8 C3 Cg 3 6 4 3 1.546 109.870 145.94 0.3000
9 H3 H1 E 8 6 4 1.092 108.841 -69.08 0.0000
10 C4 Cg 3 8 6 4 1.549 112.577 51.86 0.2500
11 H4 H1 E 10 8 6 1.092 109.316 68.82 0.0000
12 C5 Cg 3 10 8 6 1.548 111.410 -52.00 0.2710
13 H5 H1 E 12 10 8 1.092 109.263 -66.11 0.0000
14 C6 Cg 3 12 10 8 1.530 114.065 172.27 0.0480
15 H61 Hc E 14 12 10 1.091 111.262 -178.50 0.0000
16 H62 Hc E 14 12 10 1.091 111.509 62.03 0.0000
17 H63 Hc E 14 12 10 1.091 111.710 -58.34 0.0000
18 O5 Os E 12 10 8 1.486 109.336 52.29 -0.5350
19 O4 Os E 10 8 6 1.451 109.144 -172.28 -0.4860
20 O3 Oh S 8 6 4 1.454 109.133 172.74 -0.6890
21 H3O Ho E 20 8 6 0.966 107.391 52.07 0.4200
22 O2 Os M 6 4 3 1.460 110.327 25.57 -0.4870
LOOP
O5 C1
DONE
YrA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.108 125.437 -138.65 0.4880
5 H1 H2 E 4 3 2 1.090 34.452 139.99 0.0000
6 O5 Os M 4 3 2 1.483 136.062 95.09 -0.5610
7 C5 Cg M 6 4 3 1.483 117.768 -164.72 0.3770
8 H5A H1 E 7 6 4 1.091 109.204 66.57 0.0000
9 H5E H1 E 7 6 4 1.090 109.080 -175.36 0.0000
10 C4 Cg M 7 6 4 1.537 109.246 -54.64 0.1220
11 H4 H1 E 10 7 6 1.091 108.264 -65.95 0.0000
12 O4 Os E 10 7 6 1.437 108.837 177.17 -0.4380
13 C3 Cg M 10 7 6 1.542 113.340 54.31 0.3450
14 H3 H1 E 13 10 7 1.091 110.108 -174.25 0.0000
15 O3 Oh S 13 10 7 1.445 109.754 65.90 -0.7370
16 H3O Ho E 15 13 10 0.960 109.441 63.11 0.4430
17 C2 Cg M 13 10 7 1.542 108.334 -53.79 0.2530
18 H2 H1 E 17 13 10 1.091 106.798 -65.63 0.0000
19 O2 Os M 17 13 10 1.439 110.674 178.86 -0.4860
LOOP
C2 C1
DONE
YrB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.205 115.033 -133.24 0.4810
5 H1 H2 E 4 3 2 1.090 58.746 -70.52 0.0000
6 C2 Cg M 4 3 2 1.563 140.544 -157.28 0.3850
7 H2 H1 E 6 4 3 1.092 108.121 -109.69 0.0000
8 C3 Cg 3 6 4 3 1.550 109.259 132.95 0.2030
9 H3 H1 E 8 6 4 1.091 109.709 178.53 0.0000
10 C4 Cg 3 8 6 4 1.548 108.635 58.66 0.2360
11 H4 H1 E 10 8 6 1.091 108.914 60.36 0.0000
12 C5 Cg 3 10 8 6 1.549 110.878 -58.91 0.3350
13 H5A H1 E 12 10 8 1.091 110.751 -65.58 0.0000
14 H5E H1 E 12 10 8 1.090 110.011 175.14 0.0000
15 O5 Os E 12 10 8 1.488 109.926 55.20 -0.5760
16 O4 Os E 10 8 6 1.453 110.299 178.35 -0.4780
17 O3 Oh S 8 6 4 1.460 111.251 -60.93 -0.6960
18 H3O Ho E 17 8 6 0.965 108.989 176.00 0.4280
19 O2 Os M 6 4 3 1.459 113.253 8.58 -0.5120
LOOP
O5 C1
DONE
YtA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Oh S 9 7 6 1.434 108.863 -64.48 -0.6690
13 H6O Ho E 12 9 7 0.960 109.462 -59.57 0.4010
14 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
15 H4 H1 E 14 7 6 1.091 109.540 173.93 0.0000
16 O4 Os E 14 7 6 1.443 109.067 -67.36 -0.5080
17 C3 Cg M 14 7 6 1.543 109.739 53.52 0.1240
18 H3 H1 E 17 14 7 1.091 106.734 65.74 0.0000
19 O3 Oh S 17 14 7 1.439 110.707 -178.75 -0.6870
20 H3O Ho E 19 17 14 0.960 109.479 -176.63 0.4420
21 C2 Cg M 17 14 7 1.545 114.910 -52.34 0.2450
22 H2 H1 E 21 17 14 1.091 109.723 171.12 0.0000
23 O2 Os M 21 17 14 1.440 110.347 -69.94 -0.4130
LOOP
C2 C1
DONE
YtB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 C3 Cg 3 6 4 3 1.545 108.990 139.13 0.1740
9 H3 H1 E 8 6 4 1.091 106.777 -66.52 0.0000
10 C4 Cg 3 8 6 4 1.547 114.890 51.64 0.3140
11 H4 H1 E 10 8 6 1.091 109.570 -171.49 0.0000
12 C5 Cg 3 10 8 6 1.547 110.218 -50.96 0.0310
13 H5 H1 E 12 10 8 1.092 107.394 -65.47 0.0000
14 C6 Cg 3 12 10 8 1.535 115.137 174.64 0.3490
15 H61 H1 E 14 12 10 1.090 110.278 53.24 0.0000
16 H62 H1 E 14 12 10 1.091 110.886 -67.01 0.0000
17 O6 Oh S 14 12 10 1.434 108.837 172.73 -0.6660
18 H6O Ho E 17 14 12 0.960 109.430 59.34 0.4060
19 O5 Os E 12 10 8 1.487 109.426 51.66 -0.3540
20 O4 Os E 10 8 6 1.443 110.169 69.26 -0.4070
21 O3 Oh S 8 6 4 1.439 110.677 177.92 -0.6780
22 H3O Ho E 21 8 6 0.960 109.373 -64.24 0.4250
23 O2 Os M 6 4 3 1.444 109.193 -100.97 -0.4340
LOOP
O5 C1
DONE
YtV INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.351 114.839 -132.95 0.4700
5 H1 H1 E 4 3 2 1.090 124.986 34.06 0.0000
6 O5 Os M 4 3 2 1.470 71.584 -66.23 -0.5160
7 C5 Cg M 6 4 3 1.490 117.436 -68.78 0.3010
8 H5 H1 E 7 6 4 1.092 108.176 67.65 0.0000
9 C6 Cg 3 7 6 4 1.530 106.823 -175.86 0.0070
10 H61 Hc E 9 7 6 1.091 111.306 -56.97 0.0000
11 H62 Hc E 9 7 6 1.091 111.681 63.21 0.0000
12 H63 Hc E 9 7 6 1.091 111.485 -176.46 0.0000
13 C4 Cg M 7 6 4 1.553 110.400 -51.43 0.3020
14 H4 H1 E 13 7 6 1.091 109.486 -67.87 0.0000
15 O4 Os E 13 7 6 1.446 110.075 172.75 -0.4940
16 C3 Cg M 13 7 6 1.535 112.112 53.80 -0.0140
17 H31 Hc E 16 13 7 1.093 110.620 -177.58 0.0000
18 H32 Hc E 16 13 7 1.093 110.093 66.30 0.0000
19 C2 Cg M 16 13 7 1.535 111.168 -54.29 0.1910
20 H2 H1 E 19 16 13 1.091 108.971 171.23 0.0000
21 O2 Os M 19 16 13 1.451 107.118 -72.88 -0.4410
LOOP
C2 C1
DONE
Ytv INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 42.063 124.523 -153.51 0.4280
5 H1 H1 E 4 3 2 1.091 137.718 140.13 0.0000
6 C2 Cg M 4 3 2 1.543 92.512 17.53 0.2080
7 H2 H1 E 6 4 3 1.091 110.018 85.50 0.0000
8 C3 Cg 3 6 4 3 1.538 110.852 -153.13 0.0070
9 H31 Hc E 8 6 4 1.092 110.440 174.77 0.0000
10 H32 Hc E 8 6 4 1.093 108.417 -70.21 0.0000
11 C4 Cg 3 8 6 4 1.542 111.976 51.41 0.2960
12 H4 H1 E 11 8 6 1.091 109.168 71.88 0.0000
13 C5 Cg 3 11 8 6 1.544 113.120 -50.24 0.2710
14 H5 H1 E 13 11 8 1.092 109.438 -67.05 0.0000
15 C6 Cg 3 13 11 8 1.530 114.414 170.77 0.0170
16 H61 Hc E 15 13 11 1.091 111.431 62.00 0.0000
17 H62 Hc E 15 13 11 1.091 111.279 -178.53 0.0000
18 H63 Hc E 15 13 11 1.091 111.734 -58.32 0.0000
19 O5 Os E 13 11 8 1.481 108.725 51.10 -0.4960
20 O4 Os E 11 8 6 1.436 107.645 -170.11 -0.4980
21 O2 Os M 6 4 3 1.442 110.000 -34.21 -0.4270
LOOP
O5 C1
DONE
YuA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.331 115.066 -133.04 0.3630
5 H1 H2 E 4 3 2 1.090 112.585 40.61 0.0000
6 O5 Os M 4 3 2 1.464 75.208 -64.60 -0.5150
7 C5 Cg M 6 4 3 1.503 115.778 174.97 0.2320
8 H5 H1 E 7 6 4 1.091 106.633 176.67 0.0000
9 C6 C B 7 6 4 1.591 118.545 -64.62 0.6970
10 O6B O2 E 9 7 6 1.255 117.111 177.25 -0.7570
11 O6A O2 E 9 7 6 1.252 118.306 0.19 -0.7570
12 C4 Cg M 7 6 4 1.541 106.777 61.95 0.2230
13 H4 H1 E 12 7 6 1.092 108.348 60.65 0.0000
14 O4 Os E 12 7 6 1.461 110.851 178.69 -0.5080
15 C3 Cg M 12 7 6 1.551 110.331 -57.99 0.4170
16 H3 H1 E 15 12 7 1.092 108.572 -66.35 0.0000
17 O3 Oh S 15 12 7 1.454 107.203 176.93 -0.7710
18 H3O Ho E 17 15 12 0.966 105.279 42.17 0.4170
19 C2 Cg M 15 12 7 1.555 113.490 54.77 0.2590
20 H2 H1 E 19 15 12 1.092 108.782 71.56 0.0000
21 O2 Os M 19 15 12 1.469 110.384 -169.42 -0.4940
LOOP
C2 C1
DONE
YuB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.227 114.589 -133.46 0.2780
5 H1 H2 E 4 3 2 1.090 72.253 -57.04 0.0000
6 C2 Cg M 4 3 2 1.557 131.485 -157.03 0.2890
7 H2 H1 E 6 4 3 1.091 107.118 137.49 0.0000
8 C3 Cg 3 6 4 3 1.545 111.752 -104.72 0.2860
9 H3 H1 E 8 6 4 1.091 110.248 64.55 0.0000
10 C4 Cg 3 8 6 4 1.552 109.635 -56.61 0.3080
11 H4 H1 E 10 8 6 1.092 107.907 -61.83 0.0000
12 C5 Cg 3 10 8 6 1.546 112.015 56.37 0.1940
13 H5 H1 E 12 10 8 1.091 107.278 -167.70 0.0000
14 C6 C B 12 10 8 1.581 111.637 77.65 0.7500
15 O6A O2 E 14 12 10 1.252 117.516 -129.70 -0.7830
16 O6B O2 E 14 12 10 1.255 117.682 48.62 -0.7830
17 O5 Os E 12 10 8 1.512 108.685 -52.87 -0.4300
18 O4 Os E 10 8 6 1.456 110.245 -178.60 -0.5170
19 O3 Oh S 8 6 4 1.460 109.228 -175.94 -0.7550
20 H3O Ho E 19 8 6 0.968 105.498 164.14 0.4210
21 O2 Os M 6 4 3 1.455 112.599 20.48 -0.4520
LOOP
O5 C1
DONE
YxA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.412 115.134 -132.97 0.4820
5 H1 H2 E 4 3 2 1.090 123.148 41.70 0.0000
6 O5 Os M 4 3 2 1.463 72.514 -59.75 -0.5880
7 C5 Cg M 6 4 3 1.489 117.248 -67.03 0.3350
8 H5A H1 E 7 6 4 1.091 108.858 68.16 0.0000
9 H5E H1 E 7 6 4 1.090 108.909 -174.49 0.0000
10 C4 Cg M 7 6 4 1.539 111.025 -53.24 0.2470
11 H4 H1 E 10 7 6 1.091 108.937 -68.60 0.0000
12 O4 Os E 10 7 6 1.453 108.593 173.08 -0.4940
13 C3 Cg M 10 7 6 1.547 110.634 51.97 0.3590
14 H3 H1 E 13 10 7 1.092 109.703 67.85 0.0000
15 O3 Oh S 13 10 7 1.451 108.617 -173.43 -0.7120
16 H3O Ho E 15 13 10 0.966 107.240 165.38 0.4210
17 C2 Cg M 13 10 7 1.543 112.192 -53.97 0.1970
18 H2 H1 E 17 13 10 1.091 108.478 -65.50 0.0000
19 O2 Os M 17 13 10 1.464 110.541 176.58 -0.4410
LOOP
C2 C1
DONE
YxB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.464 114.825 -132.75 0.2480
5 H1 H2 E 4 3 2 1.091 66.134 -66.21 0.0000
6 C2 Cg M 4 3 2 1.557 136.744 -161.60 0.4250
7 H2 H1 E 6 4 3 1.092 109.351 -93.35 0.0000
8 C3 Cg 3 6 4 3 1.547 111.138 145.56 0.2280
9 H3 H1 E 8 6 4 1.092 109.005 -68.97 0.0000
10 C4 Cg 3 8 6 4 1.546 111.370 51.34 0.2860
11 H4 H1 E 10 8 6 1.091 109.653 67.94 0.0000
12 C5 Cg 3 10 8 6 1.541 111.571 -53.00 0.3030
13 H5A H1 E 12 10 8 1.092 110.518 -66.11 0.0000
14 H5E H1 E 12 10 8 1.090 110.176 174.39 0.0000
15 O5 Os E 12 10 8 1.482 109.795 54.26 -0.4470
16 O4 Os E 10 8 6 1.447 109.213 -172.90 -0.4870
17 O3 Oh S 8 6 4 1.458 109.994 172.23 -0.6820
18 H3O Ho E 17 8 6 0.967 108.169 55.63 0.4270
19 O2 Os M 6 4 3 1.452 109.095 25.68 -0.4950
LOOP
O5 C1
DONE
YzA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.493 117.276 -129.39 0.3980
5 H1 H2 E 4 3 2 1.090 32.570 152.52 0.0000
6 O5 Os M 4 3 2 1.458 108.055 55.77 -0.5440
7 C5 Cg M 6 4 3 1.515 118.156 -151.21 0.1870
8 H5 H1 E 7 6 4 1.092 105.702 62.73 0.0000
9 C6 C B 7 6 4 1.597 117.705 178.26 0.7980
10 O6B O2 E 9 7 6 1.252 118.424 -16.19 -0.7870
11 O6A O2 E 9 7 6 1.259 117.589 166.79 -0.7870
12 C4 Cg M 7 6 4 1.550 110.155 -52.17 0.1930
13 H4 H1 E 12 7 6 1.091 108.479 -74.33 0.0000
14 O4 Os E 12 7 6 1.452 107.400 168.29 -0.4540
15 C3 Cg M 12 7 6 1.555 113.190 47.11 0.3000
16 H3 H1 E 15 12 7 1.092 108.970 72.43 0.0000
17 O3 Oh S 15 12 7 1.458 110.360 -168.45 -0.7430
18 H3O Ho E 17 15 12 0.962 107.044 172.72 0.4390
19 C2 Cg M 15 12 7 1.547 112.948 -48.46 0.3260
20 H2 H1 E 19 15 12 1.091 108.371 -69.20 0.0000
21 O2 Os M 19 15 12 1.467 110.467 172.90 -0.5200
LOOP
C2 C1
DONE
YzB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 115.039 -133.39 0.2510
5 H1 H2 E 4 3 2 1.091 63.566 -66.62 0.0000
6 C2 Cg M 4 3 2 1.556 136.448 -159.63 0.4110
7 H2 H1 E 6 4 3 1.092 109.113 -96.54 0.0000
8 C3 Cg 3 6 4 3 1.551 111.345 142.85 0.2660
9 H3 H1 E 8 6 4 1.092 108.729 -71.83 0.0000
10 C4 Cg 3 8 6 4 1.552 112.291 48.56 0.2670
11 H4 H1 E 10 8 6 1.092 109.244 70.35 0.0000
12 C5 Cg 3 10 8 6 1.542 113.280 -50.40 0.0750
13 H5 H1 E 12 10 8 1.092 107.974 -63.51 0.0000
14 C6 C B 12 10 8 1.584 111.106 -178.60 0.8930
15 O6A O2 E 14 12 10 1.252 118.262 -140.20 -0.8180
16 O6B O2 E 14 12 10 1.258 117.333 41.17 -0.8180
17 O5 Os E 12 10 8 1.502 108.303 51.87 -0.4130
18 O4 Os E 10 8 6 1.449 108.610 -171.54 -0.4980
19 O3 Oh S 8 6 4 1.459 111.009 168.82 -0.7010
20 H3O Ho E 19 8 6 0.966 105.666 -171.43 0.4030
21 O2 Os M 6 4 3 1.458 107.250 21.17 -0.5120
LOOP
O5 C1
DONE
ZAA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.676 79.166 -133.49 0.4480
5 H1 H2 E 4 3 2 1.091 24.223 90.04 0.0000
6 C2 Cg M 4 3 2 1.547 97.401 -30.99 0.2680
7 H2 H1 E 6 4 3 1.092 109.940 -51.47 0.0000
8 C3 Cg 3 6 4 3 1.543 115.075 -176.20 0.3350
9 H3 H1 E 8 6 4 1.091 110.217 -167.01 0.0000
10 C4 Cg 3 8 6 4 1.543 111.532 -44.66 0.2450
11 H4 H1 E 10 8 6 1.091 108.482 -68.58 0.0000
12 C5 Cg 3 10 8 6 1.532 112.944 51.47 0.3790
13 H5E H1 E 12 10 8 1.090 110.447 -175.26 0.0000
14 H5A H1 E 12 10 8 1.091 110.923 64.60 0.0000
15 O5 Os E 12 10 8 1.479 108.551 -55.64 -0.5640
16 O4 Oh S 10 8 6 1.437 110.197 173.67 -0.7480
17 H4O Ho E 16 10 8 0.960 109.412 -61.02 0.4340
18 O3 Os E 8 6 4 1.441 106.949 75.66 -0.5050
19 O2 Os M 6 4 3 1.437 106.880 64.80 -0.4860
LOOP
O5 C1
DONE
ZAB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.397 98.712 -136.08 0.3790
5 H1 H2 E 4 3 2 1.091 66.137 -93.73 0.0000
6 O5 Os M 4 3 2 1.466 132.905 172.33 -0.5290
7 C5 Cg M 6 4 3 1.485 114.414 139.79 0.3560
8 H5E H1 E 7 6 4 1.090 108.916 176.99 0.0000
9 H5A H1 E 7 6 4 1.091 109.188 -65.32 0.0000
10 C4 Cg M 7 6 4 1.546 110.184 56.30 0.2240
11 H4 H1 E 10 7 6 1.091 108.191 65.24 0.0000
12 O4 Oh S 10 7 6 1.458 110.447 -177.16 -0.7300
13 H4O Ho E 12 10 7 0.964 110.010 -151.69 0.4400
14 C3 Cg M 10 7 6 1.551 111.087 -54.27 0.2970
15 H3 H1 E 14 10 7 1.091 109.244 175.99 0.0000
16 O3 Os E 14 10 7 1.454 109.593 -65.87 -0.4550
17 C2 Cg M 14 10 7 1.543 111.469 54.81 0.3000
18 H2 H1 E 17 14 10 1.091 109.979 -173.48 0.0000
19 O2 Os M 17 14 10 1.460 108.027 68.57 -0.4760
LOOP
C2 C1
DONE
ZAD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.564 98.659 -135.87 0.3680
5 H1 H2 E 4 3 2 1.090 144.009 -170.21 0.0000
6 C2 Cg M 4 3 2 1.632 104.217 14.88 0.2780
7 H2 H1 E 6 4 3 1.092 109.712 54.58 0.0000
8 C3 Cg 3 6 4 3 1.638 107.428 -64.48 0.3700
9 H3 H1 E 8 6 4 1.091 109.719 -115.23 0.0000
10 C4 Cg 3 8 6 4 1.617 107.830 4.89 0.1470
11 H4 H1 E 10 8 6 1.091 109.995 109.41 0.0000
12 C5 Cg 3 10 8 6 1.531 113.111 -128.33 0.3380
13 H52 H1 E 12 10 8 1.090 110.286 -56.49 0.0000
14 H51 H1 E 12 10 8 1.090 110.161 -176.14 0.0000
15 O5 Oh S 12 10 8 1.438 109.271 63.95 -0.6960
16 H5O Ho E 15 12 10 0.963 107.879 70.16 0.3990
17 O4 Os E 10 8 6 1.585 105.385 -6.88 -0.4530
18 O3 Os E 8 6 4 1.445 110.901 124.99 -0.4930
19 O2 Os M 6 4 3 1.459 111.670 174.46 -0.4520
LOOP
O4 C1
DONE
ZAU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.667 98.632 -136.10 0.4770
5 H1 H2 E 4 3 2 1.090 95.669 -91.76 0.0000
6 O4 Os M 4 3 2 1.559 125.393 147.34 -0.5320
7 C4 Cg M 6 4 3 1.592 113.400 -118.27 0.3270
8 H4 H1 E 7 6 4 1.091 108.372 -116.19 0.0000
9 C5 Cg 3 7 6 4 1.536 109.955 123.86 0.2270
10 H52 H1 E 9 7 6 1.090 110.003 -58.66 0.0000
11 H51 H1 E 9 7 6 1.090 110.273 -178.18 0.0000
12 O5 Oh S 9 7 6 1.440 109.976 61.40 -0.6500
13 H5O Ho E 12 9 7 0.963 109.100 -48.75 0.3970
14 C3 Cg M 7 6 4 1.623 104.988 1.35 0.2150
15 H3 H1 E 14 7 6 1.091 109.455 110.64 0.0000
16 O3 Os E 14 7 6 1.449 110.805 -129.50 -0.4850
17 C2 Cg M 14 7 6 1.636 107.636 -8.35 0.3280
18 H2 H1 E 17 14 7 1.091 108.941 -103.94 0.0000
19 O2 Os M 17 14 7 1.456 110.454 137.54 -0.4980
LOOP
C2 C1
DONE
ZDA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.544 98.481 -135.71 0.3980
5 H1 H2 E 4 3 2 1.090 143.293 157.80 0.0000
6 C2 Cg M 4 3 2 1.559 100.528 13.66 0.2460
7 H2 H1 E 6 4 3 1.091 109.379 88.56 0.0000
8 C3 Cg 3 6 4 3 1.549 110.494 -31.75 0.1840
9 H3 H1 E 8 6 4 1.091 107.825 63.24 0.0000
10 C4 Cg 3 8 6 4 1.545 111.008 -55.58 0.3510
11 H4 H1 E 10 8 6 1.091 110.279 -64.03 0.0000
12 C5 Cg 3 10 8 6 1.543 110.247 57.45 0.2750
13 H5E H1 E 12 10 8 1.090 110.034 -173.80 0.0000
14 H5A H1 E 12 10 8 1.092 109.852 67.71 0.0000
15 O5 Os E 12 10 8 1.490 111.684 -52.70 -0.4870
16 O4 Oh S 10 8 6 1.447 108.954 176.38 -0.7110
17 H4O Ho E 16 10 8 0.966 106.152 48.96 0.4220
18 O3 Os E 8 6 4 1.459 111.377 -179.63 -0.4320
19 O2 Os M 6 4 3 1.458 109.515 -153.38 -0.4400
LOOP
O5 C1
DONE
ZDB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.719 100.298 -130.46 0.4480
5 H1 H2 E 4 3 2 1.091 138.149 179.98 0.0000
6 O5 Os M 4 3 2 1.480 43.169 119.64 -0.5190
7 C5 Cg M 6 4 3 1.480 115.118 -158.52 0.2750
8 H5E H1 E 7 6 4 1.090 109.162 177.52 0.0000
9 H5A H1 E 7 6 4 1.092 108.688 -64.77 0.0000
10 C4 Cg M 7 6 4 1.539 110.071 56.42 0.3350
11 H4 H1 E 10 7 6 1.091 109.494 72.24 0.0000
12 O4 Oh S 10 7 6 1.436 107.087 -169.38 -0.7090
13 H4O Ho E 12 10 7 0.960 109.449 -179.03 0.4360
14 C3 Cg M 10 7 6 1.543 111.797 -50.34 0.2010
15 H3 H1 E 14 10 7 1.092 109.081 -68.08 0.0000
16 O3 Os E 14 10 7 1.440 109.833 173.78 -0.4630
17 C2 Cg M 14 10 7 1.543 112.432 51.79 0.2260
18 H2 H1 E 17 14 10 1.091 110.138 -175.60 0.0000
19 O2 Os M 17 14 10 1.446 109.378 64.40 -0.4240
LOOP
C2 C1
DONE
ZDD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.439 98.549 -135.93 0.3800
5 H1 H1 E 4 3 2 1.090 138.129 177.38 0.0000
6 C2 Cg M 4 3 2 1.631 107.390 17.90 0.2290
7 H2 H1 E 6 4 3 1.091 108.957 30.09 0.0000
8 C3 Cg 3 6 4 3 1.641 106.976 -85.59 0.2980
9 H3 H1 E 8 6 4 1.090 111.055 137.68 0.0000
10 C4 Cg 3 8 6 4 1.624 106.916 15.94 0.1890
11 H4 H1 E 10 8 6 1.091 107.278 99.07 0.0000
12 C5 Cg 3 10 8 6 1.537 117.355 -138.29 0.3050
13 H52 H1 E 12 10 8 1.090 110.349 -57.47 0.0000
14 H51 H1 E 12 10 8 1.090 110.600 62.82 0.0000
15 O5 Oh S 12 10 8 1.438 108.908 -177.29 -0.6970
16 H5O Ho E 15 12 10 0.962 108.141 -56.44 0.4140
17 O4 Os E 10 8 6 1.588 104.960 -15.19 -0.4230
18 O3 Os E 8 6 4 1.446 108.928 -102.08 -0.4550
19 O2 Os M 6 4 3 1.459 112.707 149.62 -0.4340
LOOP
O4 C1
DONE
ZDU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.520 -135.68 0.4360
5 H1 H2 E 4 3 2 1.090 44.078 -112.04 0.0000
6 O4 Os M 4 3 2 1.554 137.950 -176.42 -0.5170
7 C4 Cg M 6 4 3 1.588 113.584 155.63 0.1350
8 H4 H1 E 7 6 4 1.091 108.738 -120.59 0.0000
9 C5 Cg 3 7 6 4 1.542 110.504 119.77 0.3730
10 H52 H1 E 9 7 6 1.091 110.456 -60.02 0.0000
11 H51 H1 E 9 7 6 1.090 109.887 -179.59 0.0000
12 O5 Oh S 9 7 6 1.439 110.322 60.67 -0.7250
13 H5O Ho E 12 9 7 0.959 109.321 36.11 0.4180
14 C3 Cg M 7 6 4 1.620 104.668 -4.25 0.3000
15 H3 H1 E 14 7 6 1.091 107.749 -104.45 0.0000
16 O3 Os E 14 7 6 1.446 112.944 136.27 -0.4310
17 C2 Cg M 14 7 6 1.642 107.806 11.75 0.2840
18 H2 H1 E 17 14 7 1.089 110.775 -134.90 0.0000
19 O2 Os M 17 14 7 1.464 109.295 105.12 -0.4670
LOOP
C2 C1
DONE
ZEA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.461 79.060 -133.51 0.4800
5 H1 H2 E 4 3 2 1.091 14.860 114.51 0.0000
6 C2 Cg M 4 3 2 1.545 97.720 -26.56 0.1790
7 H2 H1 E 6 4 3 1.092 109.966 -63.25 0.0000
8 C3 Cg 3 6 4 3 1.541 114.896 172.06 0.3280
9 H3 H1 E 8 6 4 1.091 110.106 -167.45 0.0000
10 C4 Cg 3 8 6 4 1.544 111.809 -45.05 0.2610
11 H4 H1 E 10 8 6 1.091 108.188 -68.68 0.0000
12 C5 Cg 3 10 8 6 1.541 113.133 51.50 0.3740
13 H5 H1 E 12 10 8 1.092 109.237 63.30 0.0000
14 C6 Cg 3 12 10 8 1.535 114.012 -174.39 0.2590
15 H62 H1 E 14 12 10 1.090 110.525 -56.55 0.0000
16 H61 H1 E 14 12 10 1.091 110.727 63.66 0.0000
17 O6 Oh S 14 12 10 1.434 108.916 -175.95 -0.6630
18 H6O Ho E 17 14 12 0.960 109.470 59.69 0.4060
19 O5 Os E 12 10 8 1.485 107.816 -54.81 -0.5870
20 O4 Oh S 10 8 6 1.439 109.304 174.29 -0.7210
21 H4O Ho E 20 10 8 0.960 109.412 -61.37 0.4150
22 O3 Os E 8 6 4 1.442 106.866 75.38 -0.4880
23 O2 Os M 6 4 3 1.437 106.903 53.10 -0.4370
LOOP
O5 C1
DONE
ZEB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.395 98.706 -136.15 0.4880
5 H1 H2 E 4 3 2 1.090 67.353 -93.47 0.0000
6 O5 Os M 4 3 2 1.468 132.805 171.02 -0.5320
7 C5 Cg M 6 4 3 1.501 114.870 141.75 0.2570
8 H5 H1 E 7 6 4 1.092 108.300 -63.85 0.0000
9 C6 Cg 3 7 6 4 1.541 109.115 178.24 0.2780
10 H62 H1 E 9 7 6 1.091 110.136 -62.32 0.0000
11 H61 H1 E 9 7 6 1.090 110.614 177.96 0.0000
12 O6 Oh S 9 7 6 1.439 109.977 57.72 -0.6770
13 H6O Ho E 12 9 7 0.962 108.042 -50.79 0.4080
14 C4 Cg M 7 6 4 1.549 109.730 55.16 0.3200
15 H4 H1 E 14 7 6 1.091 108.584 66.50 0.0000
16 O4 Oh S 14 7 6 1.457 110.564 -175.67 -0.7240
17 H4O Ho E 16 14 7 0.964 110.039 -157.92 0.4200
18 C3 Cg M 14 7 6 1.554 111.196 -53.07 0.3150
19 H3 H1 E 18 14 7 1.091 109.198 176.72 0.0000
20 O3 Os E 18 14 7 1.454 110.601 -64.53 -0.4720
21 C2 Cg M 18 14 7 1.540 111.264 55.77 0.1840
22 H2 H1 E 21 18 14 1.091 109.856 -175.33 0.0000
23 O2 Os M 21 18 14 1.463 107.825 66.95 -0.4590
LOOP
C2 C1
DONE
ZFA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.482 98.666 -135.91 0.3990
5 H1 H2 E 4 3 2 1.090 143.009 167.64 0.0000
6 C2 Cg M 4 3 2 1.566 103.719 15.57 0.4560
7 H2 H1 E 6 4 3 1.091 107.661 -140.81 0.0000
8 C3 Cg 3 6 4 3 1.550 109.810 -22.26 0.2280
9 H3 H1 E 8 6 4 1.091 109.256 60.66 0.0000
10 C4 Cg 3 8 6 4 1.549 109.944 -58.35 0.2630
11 H4 H1 E 10 8 6 1.091 108.978 175.77 0.0000
12 C5 Cg 3 10 8 6 1.554 111.442 55.77 0.1870
13 H5 H1 E 12 10 8 1.091 107.126 67.59 0.0000
14 C6 Cg 3 12 10 8 1.531 115.122 -173.47 0.0650
15 H63 Hc E 14 12 10 1.090 111.280 -55.79 0.0000
16 H62 Hc E 14 12 10 1.091 111.136 -175.22 0.0000
17 H61 Hc E 14 12 10 1.091 112.013 64.74 0.0000
18 O5 Os E 12 10 8 1.495 111.650 -50.00 -0.4940
19 O4 Oh S 10 8 6 1.452 109.204 -66.42 -0.7390
20 H4O Ho E 19 10 8 0.966 107.152 -53.10 0.4470
21 O3 Os E 8 6 4 1.464 112.278 179.81 -0.4610
22 O2 Os M 6 4 3 1.463 112.192 101.91 -0.5450
LOOP
O5 C1
DONE
ZFB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 27.023 80.980 -137.29 0.4180
5 H1 H2 E 4 3 2 1.091 89.699 -141.90 0.0000
6 O5 Os M 4 3 2 1.479 135.888 101.36 -0.4420
7 C5 Cg M 6 4 3 1.481 116.331 175.37 0.1060
8 H5 H1 E 7 6 4 1.092 108.301 -57.82 0.0000
9 C6 Cg 3 7 6 4 1.531 108.182 -173.94 0.0920
10 H63 Hc E 9 7 6 1.091 111.199 179.97 0.0000
11 H62 Hc E 9 7 6 1.091 112.070 -59.60 0.0000
12 H61 Hc E 9 7 6 1.091 111.160 60.55 0.0000
13 C4 Cg M 7 6 4 1.543 108.818 59.65 0.2290
14 H4 H1 E 13 7 6 1.091 109.875 -177.36 0.0000
15 O4 Oh S 13 7 6 1.445 108.672 63.53 -0.6590
16 H4O Ho E 15 13 7 0.960 109.451 59.43 0.4230
17 C3 Cg M 13 7 6 1.542 109.625 -56.43 0.2550
18 H3 H1 E 17 13 7 1.092 107.830 -66.01 0.0000
19 O3 Os E 17 13 7 1.440 109.284 176.95 -0.4430
20 C2 Cg M 17 13 7 1.542 112.898 54.44 0.3460
21 H2 H1 E 20 17 13 1.092 109.972 72.13 0.0000
22 O2 Os M 20 17 13 1.439 107.835 -168.68 -0.5190
LOOP
C2 C1
DONE
ZGA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.450 99.052 -130.25 0.5090
5 H1 H2 E 4 3 2 1.090 23.547 97.55 0.0000
6 C2 Cg M 4 3 2 1.556 111.527 7.33 0.2460
7 H2 H1 E 6 4 3 1.091 107.607 76.46 0.0000
8 C3 Cg 3 6 4 3 1.543 111.424 -164.87 0.2860
9 H3 H1 E 8 6 4 1.092 109.239 69.49 0.0000
10 C4 Cg 3 8 6 4 1.547 112.114 -52.22 0.2540
11 H4 H1 E 10 8 6 1.092 109.454 -66.45 0.0000
12 C5 Cg 3 10 8 6 1.543 111.254 54.50 0.2830
13 H5 H1 E 12 10 8 1.092 108.261 65.38 0.0000
14 C6 Cg 3 12 10 8 1.546 112.538 -174.79 0.2760
15 H62 H1 E 14 12 10 1.090 110.682 -45.93 0.0000
16 H61 H1 E 14 12 10 1.091 110.014 73.31 0.0000
17 O6 Oh S 14 12 10 1.444 110.823 -165.78 -0.6820
18 H6O Ho E 17 14 12 0.960 109.735 78.35 0.4180
19 O5 Os E 12 10 8 1.500 109.539 -52.54 -0.5740
20 O4 Oh S 10 8 6 1.451 108.956 174.69 -0.7100
21 H4O Ho E 20 10 8 0.968 107.227 50.66 0.4360
22 O3 Os E 8 6 4 1.452 108.531 -172.18 -0.4660
23 O2 Os M 6 4 3 1.465 111.499 -41.43 -0.4700
LOOP
O5 C1
DONE
ZGB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.508 98.380 -136.27 0.3840
5 H1 H2 E 4 3 2 1.091 68.626 -93.36 0.0000
6 O5 Os M 4 3 2 1.466 129.972 169.02 -0.4710
7 C5 Cg M 6 4 3 1.495 115.297 142.28 0.2250
8 H5 H1 E 7 6 4 1.092 108.301 -60.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.304 -178.46 0.2820
10 H62 H1 E 9 7 6 1.091 110.212 -62.75 0.0000
11 H61 H1 E 9 7 6 1.090 110.609 177.45 0.0000
12 O6 Oh S 9 7 6 1.440 109.810 57.27 -0.6880
13 H6O Ho E 12 9 7 0.962 108.265 -53.10 0.4240
14 C4 Cg M 7 6 4 1.543 108.909 58.25 0.2760
15 H4 H1 E 14 7 6 1.092 109.352 66.92 0.0000
16 O4 Oh S 14 7 6 1.448 108.899 -174.36 -0.7140
17 H4O Ho E 16 14 7 0.967 107.435 172.17 0.4400
18 C3 Cg M 14 7 6 1.548 111.306 -54.04 0.2840
19 H3 H1 E 18 14 7 1.092 109.104 -67.30 0.0000
20 O3 Os E 18 14 7 1.454 108.817 174.47 -0.4710
21 C2 Cg M 18 14 7 1.545 112.113 53.55 0.3100
22 H2 H1 E 21 18 14 1.092 109.394 68.33 0.0000
23 O2 Os M 21 18 14 1.458 108.975 -172.91 -0.4750
LOOP
C2 C1
DONE
ZHA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.582 98.678 -136.05 0.3940
5 H1 H2 E 4 3 2 1.090 147.150 175.74 0.0000
6 C2 Cg M 4 3 2 1.554 100.578 20.48 0.2480
7 H2 H1 E 6 4 3 1.091 109.542 95.73 0.0000
8 C3 Cg 3 6 4 3 1.545 110.654 -24.92 0.2360
9 H3 H1 E 8 6 4 1.092 108.370 66.81 0.0000
10 C4 Cg 3 8 6 4 1.545 112.380 -53.49 0.1870
11 H4 H1 E 10 8 6 1.091 109.690 -65.16 0.0000
12 C5 Cg 3 10 8 6 1.549 110.317 55.89 0.2790
13 H5 H1 E 12 10 8 1.092 108.902 66.22 0.0000
14 C6 Cg 3 12 10 8 1.530 113.869 -172.74 0.0230
15 H63 Hc E 14 12 10 1.090 111.509 -61.06 0.0000
16 H62 Hc E 14 12 10 1.091 111.314 179.43 0.0000
17 H61 Hc E 14 12 10 1.091 111.668 59.25 0.0000
18 O5 Os E 12 10 8 1.486 110.695 -52.49 -0.4610
19 O4 Oh S 10 8 6 1.456 108.727 175.97 -0.6440
20 H4O Ho E 19 10 8 0.963 110.183 165.58 0.4050
21 O3 Os E 8 6 4 1.452 109.719 -175.81 -0.4180
22 O2 Os M 6 4 3 1.456 109.547 -146.01 -0.4430
LOOP
O5 C1
DONE
ZHB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 29.347 69.123 -148.90 0.3810
5 H1 H2 E 4 3 2 1.091 126.377 48.27 0.0000
6 O5 Os M 4 3 2 1.479 92.197 -66.81 -0.4270
7 C5 Cg M 6 4 3 1.483 115.750 -171.42 0.1720
8 H5 H1 E 7 6 4 1.092 107.917 -63.31 0.0000
9 C6M Cg 3 7 6 4 1.530 107.056 -179.94 0.0390
10 H1M Hc E 9 7 6 1.091 111.297 57.52 0.0000
11 H2M Hc E 9 7 6 1.091 111.709 -62.68 0.0000
12 H3M Hc E 9 7 6 1.091 111.441 177.01 0.0000
13 C4 Cg M 7 6 4 1.547 109.717 55.61 0.3880
14 H4 H1 E 13 7 6 1.092 109.750 73.54 0.0000
15 O4 Oh S 13 7 6 1.438 107.632 -167.68 -0.7280
16 H4O Ho E 15 13 7 0.960 109.440 -59.01 0.4320
17 C3 Cg M 13 7 6 1.543 112.131 -48.94 0.1820
18 H3 H1 E 17 13 7 1.092 109.049 -68.66 0.0000
19 O3 Os E 17 13 7 1.440 109.818 173.25 -0.4410
20 C2 Cg M 17 13 7 1.542 112.684 51.25 0.2430
21 H2 H1 E 20 17 13 1.091 110.140 -175.78 0.0000
22 O2 Os M 20 17 13 1.446 109.350 64.20 -0.4350
LOOP
C2 C1
DONE
ZKA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.442 79.066 -133.46 0.4730
5 H1 H2 E 4 3 2 1.090 14.464 106.77 0.0000
6 C2 Cg M 4 3 2 1.544 98.979 -28.09 0.2810
7 H2 H1 E 6 4 3 1.091 106.340 60.79 0.0000
8 C3 Cg 3 6 4 3 1.544 115.219 178.76 0.3540
9 H3 H1 E 8 6 4 1.091 109.846 -171.16 0.0000
10 C4 Cg 3 8 6 4 1.541 111.196 -48.97 0.1960
11 H4 H1 E 10 8 6 1.091 109.723 170.85 0.0000
12 C5 Cg 3 10 8 6 1.549 113.058 48.50 0.3010
13 H5 H1 E 12 10 8 1.092 107.347 66.38 0.0000
14 C6 Cg 3 12 10 8 1.535 114.885 -173.99 0.2870
15 H62 H1 E 14 12 10 1.090 110.246 -52.70 0.0000
16 H61 H1 E 14 12 10 1.091 110.887 67.51 0.0000
17 O6 Oh S 14 12 10 1.434 108.908 -172.15 -0.6910
18 H6O Ho E 17 14 12 0.960 109.471 59.53 0.4220
19 O5 Os E 12 10 8 1.489 109.902 -50.90 -0.5400
20 O4 Oh S 10 8 6 1.440 107.338 -72.13 -0.7120
21 H4O Ho E 20 10 8 0.960 109.466 -178.56 0.4200
22 O3 Os E 8 6 4 1.440 110.218 69.79 -0.5020
23 O2 Os M 6 4 3 1.439 110.808 -54.40 -0.4830
LOOP
O5 C1
DONE
ZKB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.393 98.693 -136.32 0.4490
5 H1 H2 E 4 3 2 1.091 69.568 -95.43 0.0000
6 O5 Os M 4 3 2 1.465 133.014 166.49 -0.5140
7 C5 Cg M 6 4 3 1.499 115.030 146.87 0.3030
8 H5 H1 E 7 6 4 1.092 107.891 -62.65 0.0000
9 C6 Cg 3 7 6 4 1.542 109.430 -179.47 0.2590
10 H62 H1 E 9 7 6 1.090 110.533 -58.28 0.0000
11 H61 H1 E 9 7 6 1.090 110.096 -177.88 0.0000
12 O6 Oh S 9 7 6 1.441 110.162 62.18 -0.6700
13 H6O Ho E 12 9 7 0.962 108.273 -57.74 0.4160
14 C4 Cg M 7 6 4 1.553 110.891 55.18 0.2170
15 H4 H1 E 14 7 6 1.091 108.867 -172.31 0.0000
16 O4 Oh S 14 7 6 1.455 110.952 69.39 -0.7000
17 H4O Ho E 16 14 7 0.964 110.377 163.16 0.4250
18 C3 Cg M 14 7 6 1.545 111.117 -51.77 0.2530
19 H3 H1 E 18 14 7 1.091 109.391 173.95 0.0000
20 O3 Os E 18 14 7 1.452 107.992 -68.85 -0.4620
21 C2 Cg M 18 14 7 1.547 111.988 52.75 0.3080
22 H2 H1 E 21 18 14 1.091 108.509 65.85 0.0000
23 O2 Os M 21 18 14 1.462 109.337 -176.76 -0.4780
LOOP
C2 C1
DONE
ZLA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.373 78.981 -133.33 0.4650
5 H1 H2 E 4 3 2 1.090 16.321 103.43 0.0000
6 C2 Cg M 4 3 2 1.547 98.285 -29.06 0.3390
7 H2 H1 E 6 4 3 1.091 108.000 61.56 0.0000
8 C3 Cg 3 6 4 3 1.541 112.432 -178.15 0.2530
9 H3 H1 E 8 6 4 1.091 109.206 67.02 0.0000
10 C4 Cg 3 8 6 4 1.544 111.714 -53.08 0.2040
11 H4 H1 E 10 8 6 1.091 109.766 175.51 0.0000
12 C5 Cg 3 10 8 6 1.544 110.422 54.48 0.2160
13 H5 H1 E 12 10 8 1.092 107.514 62.91 0.0000
14 C6 Cg 3 12 10 8 1.535 114.934 -177.18 0.3080
15 H62 H1 E 14 12 10 1.090 110.251 -53.15 0.0000
16 H61 H1 E 14 12 10 1.091 110.918 67.08 0.0000
17 O6 Oh S 14 12 10 1.434 108.858 -172.60 -0.6840
18 H6O Ho E 17 14 12 0.960 109.466 59.52 0.4180
19 O5 Os E 12 10 8 1.490 109.289 -54.45 -0.5270
20 O4 Oh S 10 8 6 1.445 109.785 -64.95 -0.6730
21 H4O Ho E 20 10 8 0.960 109.470 179.80 0.4360
22 O3 Os E 8 6 4 1.440 110.035 -174.48 -0.4620
23 O2 Os M 6 4 3 1.440 109.403 -55.56 -0.4870
LOOP
O5 C1
DONE
ZLB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.468 98.380 -136.25 0.3740
5 H1 H2 E 4 3 2 1.091 68.433 -93.22 0.0000
6 O5 Os M 4 3 2 1.469 130.208 170.01 -0.4020
7 C5 Cg M 6 4 3 1.495 116.010 144.53 0.1400
8 H5 H1 E 7 6 4 1.092 108.013 -61.82 0.0000
9 C6 Cg 3 7 6 4 1.539 109.777 -179.32 0.3190
10 H62 H1 E 9 7 6 1.091 110.848 -57.06 0.0000
11 H61 H1 E 9 7 6 1.090 110.337 -177.30 0.0000
12 O6 Oh S 9 7 6 1.437 109.027 63.12 -0.6930
13 H6O Ho E 12 9 7 0.961 107.830 -58.33 0.4190
14 C4 Cg M 7 6 4 1.545 110.103 55.47 0.2030
15 H4 H1 E 14 7 6 1.091 109.333 -173.92 0.0000
16 O4 Oh S 14 7 6 1.449 109.628 67.34 -0.6640
17 H4O Ho E 16 14 7 0.967 107.158 -172.89 0.4370
18 C3 Cg M 14 7 6 1.546 110.517 -53.62 0.2590
19 H3 H1 E 18 14 7 1.092 108.098 -64.81 0.0000
20 O3 Os E 18 14 7 1.455 109.126 178.29 -0.4550
21 C2 Cg M 18 14 7 1.547 112.254 55.04 0.3570
22 H2 H1 E 21 18 14 1.092 109.716 67.43 0.0000
23 O2 Os M 21 18 14 1.459 108.705 -173.71 -0.4880
LOOP
C2 C1
DONE
ZMA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.512 99.235 -130.21 0.4330
5 H1 H2 E 4 3 2 1.090 29.174 102.07 0.0000
6 C2 Cg M 4 3 2 1.555 109.578 6.72 0.2450
7 H2 H1 E 6 4 3 1.091 109.366 -38.64 0.0000
8 C3 Cg 3 6 4 3 1.545 110.571 -158.93 0.2520
9 H3 H1 E 8 6 4 1.092 108.528 64.93 0.0000
10 C4 Cg 3 8 6 4 1.549 111.609 -54.79 0.3260
11 H4 H1 E 10 8 6 1.091 109.865 -64.38 0.0000
12 C5 Cg 3 10 8 6 1.546 110.605 57.15 0.2760
13 H5 H1 E 12 10 8 1.092 108.214 65.71 0.0000
14 C6 Cg 3 12 10 8 1.544 112.153 -174.59 0.2660
15 H62 H1 E 14 12 10 1.090 110.579 -46.84 0.0000
16 H61 H1 E 14 12 10 1.091 110.051 72.33 0.0000
17 O6 Oh S 14 12 10 1.444 110.952 -166.67 -0.6880
18 H6O Ho E 17 14 12 0.960 109.923 72.72 0.4220
19 O5 Os E 12 10 8 1.497 110.394 -52.31 -0.5070
20 O4 Oh S 10 8 6 1.452 108.734 176.59 -0.7330
21 H4O Ho E 20 10 8 0.966 107.267 52.91 0.4380
22 O3 Os E 8 6 4 1.461 109.595 -177.93 -0.4590
23 O2 Os M 6 4 3 1.459 110.007 79.71 -0.4650
LOOP
O5 C1
DONE
ZMB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.455 98.474 -136.31 0.3140
5 H1 H2 E 4 3 2 1.091 71.744 -87.80 0.0000
6 O5 Os M 4 3 2 1.470 130.200 172.77 -0.3930
7 C5 Cg M 6 4 3 1.498 115.894 145.97 0.2060
8 H5 H1 E 7 6 4 1.092 107.771 -66.97 0.0000
9 C6 Cg 3 7 6 4 1.539 108.924 175.37 0.2730
10 H62 H1 E 9 7 6 1.091 110.262 -62.70 0.0000
11 H61 H1 E 9 7 6 1.090 110.558 177.52 0.0000
12 O6 Oh S 9 7 6 1.439 109.850 57.44 -0.6800
13 H6O Ho E 12 9 7 0.962 108.414 -55.86 0.4190
14 C4 Cg M 7 6 4 1.550 110.843 51.87 0.3490
15 H4 H1 E 14 7 6 1.091 109.789 70.94 0.0000
16 O4 Oh S 14 7 6 1.452 108.352 -170.58 -0.7460
17 H4O Ho E 16 14 7 0.963 108.380 -159.72 0.4430
18 C3 Cg M 14 7 6 1.553 110.419 -50.51 0.2630
19 H3 H1 E 18 14 7 1.092 108.588 -60.79 0.0000
20 O3 Os E 18 14 7 1.457 111.995 -178.50 -0.4560
21 C2 Cg M 18 14 7 1.547 110.623 57.43 0.2410
22 H2 H1 E 21 18 14 1.091 110.076 180.00 0.0000
23 O2 Os M 21 18 14 1.459 110.769 59.28 -0.4270
LOOP
C2 C1
DONE
ZNA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.408 79.226 -133.52 0.4780
5 H1 H2 E 4 3 2 1.090 16.821 119.29 0.0000
6 C2 Cg M 4 3 2 1.545 95.682 -23.53 0.2280
7 H2 H1 E 6 4 3 1.091 106.594 61.27 0.0000
8 C3 Cg 3 6 4 3 1.541 114.996 179.46 0.3300
9 H3 H1 E 8 6 4 1.091 109.966 -173.17 0.0000
10 C4 Cg 3 8 6 4 1.543 108.602 -52.73 0.1670
11 H4 H1 E 10 8 6 1.091 108.011 -66.83 0.0000
12 C5 Cg 3 10 8 6 1.545 113.659 53.52 0.4040
13 H5 H1 E 12 10 8 1.092 109.059 65.09 0.0000
14 C6 Cg 3 12 10 8 1.535 113.747 -172.97 0.2800
15 H62 H1 E 14 12 10 1.090 110.540 -56.41 0.0000
16 H61 H1 E 14 12 10 1.091 110.668 63.75 0.0000
17 O6 Oh S 14 12 10 1.434 109.011 -175.88 -0.6630
18 H6O Ho E 17 14 12 0.960 109.493 59.88 0.3960
19 O5 Os E 12 10 8 1.489 108.589 -53.11 -0.6110
20 O4 Oh S 10 8 6 1.439 109.206 176.30 -0.7330
21 H4O Ho E 20 10 8 0.960 109.442 -63.39 0.4440
22 O3 Os E 8 6 4 1.445 109.604 67.22 -0.4670
23 O2 Os M 6 4 3 1.439 110.664 -54.19 -0.4470
LOOP
O5 C1
DONE
ZNB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.461 98.623 -136.30 0.4220
5 H1 H2 E 4 3 2 1.092 69.195 -93.78 0.0000
6 O5 Os M 4 3 2 1.470 132.017 168.50 -0.5070
7 C5 Cg M 6 4 3 1.500 115.850 146.97 0.1980
8 H5 H1 E 7 6 4 1.091 108.463 -62.31 0.0000
9 C6 Cg 3 7 6 4 1.541 109.542 179.74 0.3130
10 H62 H1 E 9 7 6 1.090 110.338 -62.12 0.0000
11 H61 H1 E 9 7 6 1.090 110.689 177.70 0.0000
12 O6 Oh S 9 7 6 1.438 109.178 57.79 -0.6890
13 H6O Ho E 12 9 7 0.962 107.694 -47.58 0.4180
14 C4 Cg M 7 6 4 1.547 108.536 56.26 0.2860
15 H4 H1 E 14 7 6 1.091 108.641 63.49 0.0000
16 O4 Oh S 14 7 6 1.447 110.674 -178.31 -0.7070
17 H4O Ho E 16 14 7 0.966 108.053 84.25 0.4300
18 C3 Cg M 14 7 6 1.546 111.303 -56.16 0.2340
19 H3 H1 E 18 14 7 1.092 109.685 177.82 0.0000
20 O3 Os E 18 14 7 1.458 109.719 -63.09 -0.4200
21 C2 Cg M 18 14 7 1.544 109.920 57.50 0.3010
22 H2 H1 E 21 18 14 1.093 108.226 64.66 0.0000
23 O2 Os M 21 18 14 1.458 109.185 -178.16 -0.4730
LOOP
C2 C1
DONE
ZOA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.395 99.023 -130.46 0.3050
5 H1 H2 E 4 3 2 1.090 24.072 100.29 0.0000
6 C2 Cg M 4 3 2 1.563 111.265 10.63 0.4130
7 H2 H1 E 6 4 3 1.091 108.988 73.46 0.0000
8 C3 Cg 3 6 4 3 1.548 110.939 -166.09 0.2510
9 H3 H1 E 8 6 4 1.092 108.206 62.18 0.0000
10 C4 Cg 3 8 6 4 1.551 110.284 -55.76 0.2670
11 H4 H1 E 10 8 6 1.091 109.469 -178.62 0.0000
12 C5 Cg 3 10 8 6 1.540 109.735 61.11 0.0540
13 H5 H1 E 12 10 8 1.092 108.800 60.69 0.0000
14 C6 C B 12 10 8 1.566 106.527 176.50 0.8960
15 O6A O2 E 14 12 10 1.252 116.529 -102.85 -0.8220
16 O6B O2 E 14 12 10 1.255 117.285 72.11 -0.8220
17 O5 Os E 12 10 8 1.515 109.060 -56.67 -0.4240
18 O4 Oh S 10 8 6 1.455 111.597 -58.02 -0.7040
19 H4O Ho E 18 10 8 0.981 106.629 154.94 0.4290
20 O3 Os E 8 6 4 1.460 111.666 179.27 -0.5030
21 O2 Os M 6 4 3 1.464 109.237 -44.39 -0.5340
LOOP
O5 C1
DONE
ZOB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.376 98.399 -136.27 0.3010
5 H1 H2 E 4 3 2 1.091 69.069 -92.25 0.0000
6 O5 Os M 4 3 2 1.462 130.396 170.60 -0.4140
7 C5 Cg M 6 4 3 1.506 116.408 147.12 0.0490
8 H5 H1 E 7 6 4 1.092 106.456 -59.37 0.0000
9 C6 C B 7 6 4 1.574 118.473 -176.63 0.8380
10 O6B O2 E 9 7 6 1.256 116.247 -176.00 -0.7940
11 O6A O2 E 9 7 6 1.254 118.706 9.49 -0.7940
12 C4 Cg M 7 6 4 1.538 109.239 56.00 0.2600
13 H4 H1 E 12 7 6 1.091 109.884 -175.27 0.0000
14 O4 Oh S 12 7 6 1.450 109.662 65.53 -0.6610
15 H4O Ho E 14 12 7 0.961 107.547 -173.76 0.4020
16 C3 Cg M 12 7 6 1.548 110.856 -55.41 0.2590
17 H3 H1 E 16 12 7 1.092 108.063 -63.15 0.0000
18 O3 Os E 16 12 7 1.466 108.667 -179.51 -0.4980
19 C2 Cg M 16 12 7 1.553 111.733 55.81 0.3830
20 H2 H1 E 19 16 12 1.091 109.497 69.57 0.0000
21 O2 Os M 19 16 12 1.460 110.302 -170.66 -0.5250
LOOP
C2 C1
DONE
The zwitter-ion of Serine with glycosidic linkage
ZOLS INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 O O2 M 3 2 1 10.742 119.453 -168.36 -0.7250
5 C C M 4 3 2 1.230 6.757 11.28 0.7670
6 OXT O2 E 5 4 3 1.230 133.400 50.09 -0.7250
7 CA CT M 5 4 3 1.568 112.500 -129.91 0.0590
8 N N3 3 7 5 4 1.504 105.900 -5.90 -0.3610
9 H1 H E 8 7 5 1.008 108.500 -102.60 0.2920
10 H2 H E 8 7 5 1.008 108.500 134.60 0.2920
11 H3 H E 8 7 5 1.008 108.500 12.50 0.2920
12 HA HP E 7 5 4 1.079 112.100 -123.90 0.0710
13 CB CT M 7 5 4 1.515 110.800 112.20 0.2780
14 HB2 H1 E 13 7 5 1.084 109.000 72.20 0.0180
15 HB3 H1 E 13 7 5 1.084 109.000 -46.00 0.0180
16 OG Os M 13 7 5 1.410 107.500 -166.30 -0.4700
DONE
The zwitter-ion of Threonine with glycosidic linkage
ZOLT INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 CG2 CT M 3 2 1 10.745 119.465 -168.33 -0.2750
5 HG21 HC E 4 3 2 1.085 138.489 162.24 0.0680
6 HG22 HC E 4 3 2 1.085 106.883 -53.84 0.0680
7 HG23 HC E 4 3 2 1.085 81.936 53.18 0.0680
8 CB CT M 4 3 2 1.521 32.806 -154.13 0.4990
9 HB H1 E 8 4 3 1.081 109.750 31.92 -0.0180
10 CA CT 3 8 4 3 1.522 114.620 -87.40 -0.0780
11 N N3 3 10 8 4 1.503 110.522 -62.55 -0.3900
12 H1 H E 11 10 8 1.005 108.500 -148.09 0.3040
13 H2 H E 11 10 8 1.005 108.500 89.44 0.3040
14 H3 H E 11 10 8 1.005 108.500 -34.30 0.3040
15 C C B 10 8 4 1.574 112.945 -177.72 0.8220
16 O O2 E 15 10 8 1.225 113.250 -31.64 -0.7340
17 OXT O2 E 15 10 8 1.225 113.250 146.78 -0.7340
18 HA HP E 10 8 4 1.083 112.380 57.36 0.0760
19 OG1 Os M 8 4 3 1.406 108.050 153.56 -0.4780
DONE
ZQA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.541 98.563 -135.84 0.4650
5 H1 H1 E 4 3 2 1.090 143.841 166.97 0.0000
6 C2 Cg M 4 3 2 1.556 100.905 19.24 0.2810
7 H2 H1 E 6 4 3 1.091 107.701 -146.56 0.0000
8 C3 Cg 3 6 4 3 1.550 110.755 -28.22 0.3120
9 H3 H1 E 8 6 4 1.092 109.248 69.54 0.0000
10 C4 Cg 3 8 6 4 1.550 112.115 -52.01 0.2080
11 H4 H1 E 10 8 6 1.092 109.113 -67.92 0.0000
12 C5 Cg 3 10 8 6 1.546 111.848 52.85 0.2340
13 H5 H1 E 12 10 8 1.092 108.966 67.39 0.0000
14 C6 Cg 3 12 10 8 1.531 114.081 -171.50 0.0600
15 H63 Hc E 14 12 10 1.091 111.703 58.97 0.0000
16 H62 Hc E 14 12 10 1.091 111.508 -61.39 0.0000
17 H61 Hc E 14 12 10 1.091 111.279 179.14 0.0000
18 O5 Os E 12 10 8 1.487 110.112 -51.22 -0.5590
19 O4 Oh S 10 8 6 1.456 109.169 173.44 -0.6640
20 H4O Ho E 19 10 8 0.963 110.329 161.22 0.4030
21 O3 Os E 8 6 4 1.451 110.060 -171.22 -0.4670
22 O2 Os M 6 4 3 1.464 109.956 96.40 -0.4670
LOOP
O5 C1
DONE
ZQB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.548 98.690 -136.00 0.3910
5 H1 H1 E 4 3 2 1.091 73.758 -94.90 0.0000
6 O5 Os M 4 3 2 1.461 131.794 163.13 -0.5350
7 C5 Cg M 6 4 3 1.486 115.375 148.89 0.2710
8 H5 H1 E 7 6 4 1.092 108.323 -60.93 0.0000
9 C6 Cg 3 7 6 4 1.530 107.192 -177.83 0.0480
10 H63 Hc E 9 7 6 1.091 111.710 -62.84 0.0000
11 H62 Hc E 9 7 6 1.091 111.509 176.79 0.0000
12 H61 Hc E 9 7 6 1.091 111.262 57.32 0.0000
13 C4 Cg M 7 6 4 1.548 109.336 58.05 0.2500
14 H4 H1 E 13 7 6 1.092 109.232 68.58 0.0000
15 O4 Oh S 13 7 6 1.451 108.892 -172.72 -0.7130
16 H4O Ho E 15 13 7 0.966 107.748 175.11 0.4210
17 C3 Cg M 13 7 6 1.549 111.410 -52.29 0.3000
18 H3 H1 E 17 13 7 1.092 108.988 -68.86 0.0000
19 O3 Os E 17 13 7 1.454 108.773 173.08 -0.4630
20 C2 Cg M 17 13 7 1.546 112.577 52.00 0.3230
21 H2 H1 E 20 17 13 1.092 109.469 68.14 0.0000
22 O2 Os M 20 17 13 1.460 109.130 -172.95 -0.4870
LOOP
C2 C1
DONE
ZRA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.589 79.139 -133.47 0.4880
5 H1 H2 E 4 3 2 1.090 27.374 95.92 0.0000
6 C2 Cg M 4 3 2 1.547 95.699 -25.09 0.2530
7 H2 H1 E 6 4 3 1.091 106.529 74.90 0.0000
8 C3 Cg 3 6 4 3 1.542 115.155 -166.91 0.3450
9 H3 H1 E 8 6 4 1.091 110.101 -172.87 0.0000
10 C4 Cg 3 8 6 4 1.542 108.334 -52.41 0.1220
11 H4 H1 E 10 8 6 1.091 108.377 -66.41 0.0000
12 C5 Cg 3 10 8 6 1.537 113.340 53.79 0.3770
13 H5E H1 E 12 10 8 1.090 110.366 -174.24 0.0000
14 H5A H1 E 12 10 8 1.091 110.701 65.98 0.0000
15 O5 Os E 12 10 8 1.483 109.246 -54.31 -0.5610
16 O4 Oh S 10 8 6 1.437 110.093 175.95 -0.6630
17 H4O Ho E 16 10 8 0.960 109.433 -63.23 0.4190
18 O3 Os E 8 6 4 1.445 109.646 67.35 -0.4880
19 O2 Os M 6 4 3 1.439 110.676 -40.46 -0.4860
LOOP
O5 C1
DONE
ZRB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.373 98.520 -136.09 0.4810
5 H1 H2 E 4 3 2 1.090 64.264 -93.14 0.0000
6 O5 Os M 4 3 2 1.470 130.910 172.20 -0.5760
7 C5 Cg M 6 4 3 1.488 115.378 141.01 0.3350
8 H5E H1 E 7 6 4 1.090 108.921 174.98 0.0000
9 H5A H1 E 7 6 4 1.091 109.218 -67.32 0.0000
10 C4 Cg M 7 6 4 1.549 109.926 54.38 0.2360
11 H4 H1 E 10 7 6 1.091 108.456 64.34 0.0000
12 O4 Oh S 10 7 6 1.453 110.505 -177.82 -0.6950
13 H4O Ho E 12 10 7 0.963 110.348 -165.05 0.4110
14 C3 Cg M 10 7 6 1.548 110.878 -55.20 0.2030
15 H3 H1 E 14 10 7 1.091 109.669 178.81 0.0000
16 O3 Os E 14 10 7 1.460 108.674 -62.27 -0.4620
17 C2 Cg M 14 10 7 1.550 108.635 58.91 0.3850
18 H2 H1 E 17 14 10 1.092 108.039 58.75 0.0000
19 O2 Os M 17 14 10 1.459 111.068 175.70 -0.5120
LOOP
C2 C1
DONE
ZRD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 21.697 99.148 -131.21 0.4450
5 H1 H2 E 4 3 2 1.090 4.631 -133.95 0.0000
6 C2 Cg M 4 3 2 1.639 108.788 16.92 0.3180
7 H2 H1 E 6 4 3 1.090 106.253 24.71 0.0000
8 C3 Cg 3 6 4 3 1.641 106.653 138.14 0.2750
9 H3 H1 E 8 6 4 1.090 110.829 -140.13 0.0000
10 C4 Cg 3 8 6 4 1.627 107.074 -17.90 0.3270
11 H4 H1 E 10 8 6 1.091 110.687 126.58 0.0000
12 C5 Cg 3 10 8 6 1.540 111.841 -110.98 0.1950
13 H52 H1 E 12 10 8 1.090 109.854 62.87 0.0000
14 H51 H1 E 12 10 8 1.090 109.790 -55.87 0.0000
15 O5 Oh S 12 10 8 1.441 111.480 -176.24 -0.6670
16 H5O Ho E 15 12 10 0.961 110.927 63.80 0.4080
17 O4 Os E 10 8 6 1.590 104.801 9.06 -0.5130
18 O3 Os E 8 6 4 1.452 110.052 99.39 -0.4950
19 O2 Os M 6 4 3 1.461 116.185 -94.11 -0.4870
LOOP
O4 C1
DONE
ZRU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.636 98.718 -136.21 0.3780
5 H1 H1 E 4 3 2 1.091 92.407 -91.72 0.0000
6 O4 Os M 4 3 2 1.557 127.421 149.85 -0.4240
7 C4 Cg M 6 4 3 1.587 113.195 -122.12 0.1020
8 H4 H1 E 7 6 4 1.091 108.133 -112.74 0.0000
9 C5 Cg 3 7 6 4 1.534 111.781 126.34 0.3380
10 H52 H1 E 9 7 6 1.090 110.006 -172.13 0.0000
11 H51 H1 E 9 7 6 1.090 110.394 -52.52 0.0000
12 O5 Oh S 9 7 6 1.436 109.887 68.16 -0.6920
13 H5O Ho E 12 9 7 0.959 109.586 178.63 0.4150
14 C3 Cg M 7 6 4 1.616 104.949 4.12 0.2890
15 H3 H1 E 14 7 6 1.091 109.320 105.86 0.0000
16 O3 Os E 14 7 6 1.443 110.518 -134.81 -0.4490
17 C2 Cg M 14 7 6 1.643 107.735 -11.40 0.2930
18 H2 H1 E 17 14 7 1.091 110.396 135.88 0.0000
19 O2 Os M 17 14 7 1.462 110.605 -103.78 -0.4440
LOOP
C2 C1
DONE
ZTA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 25.370 79.021 -133.25 0.4560
5 H1 H2 E 4 3 2 1.091 17.604 103.37 0.0000
6 C2 Cg M 4 3 2 1.542 97.509 -29.95 0.2450
7 H2 H1 E 6 4 3 1.091 110.129 -59.28 0.0000
8 C3 Cg 3 6 4 3 1.545 112.024 178.31 0.1240
9 H3 H1 E 8 6 4 1.091 106.708 69.61 0.0000
10 C4 Cg 3 8 6 4 1.543 114.910 -48.48 0.4340
11 H4 H1 E 10 8 6 1.091 109.633 172.69 0.0000
12 C5 Cg 3 10 8 6 1.544 109.739 52.34 0.1570
13 H5 H1 E 12 10 8 1.092 107.463 63.77 0.0000
14 C6 Cg 3 12 10 8 1.535 114.896 -176.35 0.3040
15 H62 H1 E 14 12 10 1.090 110.263 -52.86 0.0000
16 H61 H1 E 14 12 10 1.091 110.896 67.37 0.0000
17 O6 Oh S 14 12 10 1.434 108.863 -172.31 -0.6690
18 H6O Ho E 17 14 12 0.960 109.462 59.57 0.4010
19 O5 Os E 12 10 8 1.488 109.541 -53.52 -0.4800
20 O4 Oh S 10 8 6 1.443 110.261 -67.82 -0.7310
21 H4O Ho E 20 10 8 0.960 109.459 -179.88 0.4170
22 O3 Os E 8 6 4 1.439 110.774 -174.86 -0.4390
23 O2 Os M 6 4 3 1.440 106.453 57.61 -0.4130
LOOP
O5 C1
DONE
ZTB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 26.971 80.951 -137.39 0.3060
5 H1 H2 E 4 3 2 1.091 85.043 -140.88 0.0000
6 O5 Os M 4 3 2 1.481 138.682 106.96 -0.3540
7 C5 Cg M 6 4 3 1.487 114.855 161.57 0.0310
8 H5 H1 E 7 6 4 1.092 108.117 -56.98 0.0000
9 C6 Cg 3 7 6 4 1.535 108.872 -173.68 0.3490
10 H62 H1 E 9 7 6 1.091 110.886 -56.26 0.0000
11 H61 H1 E 9 7 6 1.090 110.278 -176.51 0.0000
12 O6 Oh S 9 7 6 1.434 108.837 64.00 -0.6660
13 H6O Ho E 12 9 7 0.960 109.430 -59.34 0.4060
14 C4 Cg M 7 6 4 1.547 109.426 59.69 0.3140
15 H4 H1 E 14 7 6 1.091 109.475 -172.25 0.0000
16 O4 Oh S 14 7 6 1.443 108.917 69.31 -0.6260
17 H4O Ho E 16 14 7 0.960 109.455 59.28 0.4130
18 C3 Cg M 14 7 6 1.547 110.218 -51.66 0.1740
19 H3 H1 E 18 14 7 1.091 106.762 -67.21 0.0000
20 O3 Os E 18 14 7 1.439 110.707 177.22 -0.4470
21 C2 Cg M 18 14 7 1.545 114.890 50.96 0.3400
22 H2 H1 E 21 18 14 1.091 109.957 -172.30 0.0000
23 O2 Os M 21 18 14 1.444 109.766 67.90 -0.4340
LOOP
C2 C1
DONE
ZUA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.490 98.494 -135.80 0.3630
5 H1 H2 E 4 3 2 1.090 133.285 160.45 0.0000
6 C2 Cg M 4 3 2 1.559 106.137 19.27 0.2590
7 H2 H1 E 6 4 3 1.092 108.691 -14.77 0.0000
8 C3 Cg 3 6 4 3 1.555 110.585 -134.12 0.4170
9 H3 H1 E 8 6 4 1.092 108.809 -73.26 0.0000
10 C4 Cg 3 8 6 4 1.551 113.490 47.73 0.2230
11 H4 H1 E 10 8 6 1.092 108.495 63.78 0.0000
12 C5 Cg 3 10 8 6 1.541 110.331 -54.77 0.2320
13 H5 H1 E 12 10 8 1.091 107.517 172.11 0.0000
14 C6 C B 12 10 8 1.591 111.292 -72.79 0.6970
15 O6A O2 E 14 12 10 1.252 118.306 124.19 -0.7570
16 O6B O2 E 14 12 10 1.255 117.111 -52.87 -0.7570
17 O5 Os E 12 10 8 1.503 106.777 57.99 -0.5150
18 O4 Oh S 10 8 6 1.461 110.962 -178.03 -0.7110
19 H4O Ho E 18 10 8 0.984 107.477 94.04 0.3970
20 O3 Os E 8 6 4 1.454 110.391 168.10 -0.5480
21 O2 Os M 6 4 3 1.469 109.784 103.84 -0.4940
LOOP
O5 C1
DONE
ZUB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.486 98.866 -136.63 0.2780
5 H1 H2 E 4 3 2 1.090 81.785 -98.80 0.0000
6 O5 Os M 4 3 2 1.478 136.016 152.83 -0.4300
7 C5 Cg M 6 4 3 1.512 117.828 -89.26 0.1940
8 H5 H1 E 7 6 4 1.091 106.542 -169.54 0.0000
9 C6 C B 7 6 4 1.581 117.000 73.30 0.7500
10 O6B O2 E 9 7 6 1.255 117.682 -174.70 -0.7830
11 O6A O2 E 9 7 6 1.252 117.516 3.62 -0.7830
12 C4 Cg M 7 6 4 1.546 108.685 -54.23 0.3080
13 H4 H1 E 12 7 6 1.092 107.557 -65.54 0.0000
14 O4 Oh S 12 7 6 1.456 111.691 177.10 -0.7450
15 H4O Ho E 14 12 7 0.987 106.847 -27.71 0.4220
16 C3 Cg M 12 7 6 1.552 112.015 52.87 0.2860
17 H3 H1 E 16 12 7 1.091 109.935 64.98 0.0000
18 O3 Os E 16 12 7 1.460 108.958 -175.86 -0.5280
19 C2 Cg M 16 12 7 1.545 109.635 -56.37 0.2890
20 H2 H1 E 19 16 12 1.091 107.746 -60.80 0.0000
21 O2 Os M 19 16 12 1.455 110.598 -177.09 -0.4520
LOOP
C2 C1
DONE
ZXA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.552 98.376 -135.65 0.4820
5 H1 H2 E 4 3 2 1.090 143.066 154.55 0.0000
6 C2 Cg M 4 3 2 1.552 98.681 14.07 0.1970
7 H2 H1 E 6 4 3 1.091 107.726 -152.01 0.0000
8 C3 Cg 3 6 4 3 1.543 111.214 -33.26 0.3590
9 H3 H1 E 8 6 4 1.092 109.408 69.19 0.0000
10 C4 Cg 3 8 6 4 1.547 112.192 -52.80 0.2470
11 H4 H1 E 10 8 6 1.091 109.623 -66.19 0.0000
12 C5 Cg 3 10 8 6 1.539 110.634 53.97 0.3350
13 H5E H1 E 12 10 8 1.090 109.984 -172.58 0.0000
14 H5A H1 E 12 10 8 1.091 110.140 68.68 0.0000
15 O5 Os E 12 10 8 1.489 111.025 -51.97 -0.5880
16 O4 Oh S 10 8 6 1.453 110.240 174.10 -0.7200
17 H4O Ho E 16 10 8 0.967 107.931 54.72 0.4200
18 O3 Os E 8 6 4 1.451 108.116 -172.55 -0.4850
19 O2 Os M 6 4 3 1.464 111.006 90.26 -0.4410
LOOP
O5 C1
DONE
ZXB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.682 98.802 -135.60 0.2480
5 H1 H2 E 4 3 2 1.091 72.415 -93.43 0.0000
6 O5 Os M 4 3 2 1.466 132.232 166.71 -0.4470
7 C5 Cg M 6 4 3 1.482 115.196 148.40 0.3030
8 H5E H1 E 7 6 4 1.090 109.061 178.41 0.0000
9 H5A H1 E 7 6 4 1.092 109.076 -63.64 0.0000
10 C4 Cg M 7 6 4 1.541 109.795 57.60 0.2860
11 H4 H1 E 10 7 6 1.091 109.061 67.02 0.0000
12 O4 Oh S 10 7 6 1.447 108.470 -174.60 -0.7230
13 H4O Ho E 12 10 7 0.966 107.383 173.28 0.4300
14 C3 Cg M 10 7 6 1.546 111.571 -54.26 0.2280
15 H3 H1 E 14 10 7 1.092 109.010 -67.31 0.0000
16 O3 Os E 14 10 7 1.458 108.945 174.50 -0.4490
17 C2 Cg M 14 10 7 1.547 111.370 53.00 0.4250
18 H2 H1 E 17 14 10 1.092 109.571 69.62 0.0000
19 O2 Os M 17 14 10 1.452 108.733 -171.44 -0.4950
LOOP
C2 C1
DONE
ZXD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.757 98.427 -135.59 0.4280
5 H1 H1 E 4 3 2 1.090 154.297 167.70 0.0000
6 C2 Cg M 4 3 2 1.636 88.449 18.82 0.2480
7 H2 H1 E 6 4 3 1.091 107.679 -173.80 0.0000
8 C3 Cg 3 6 4 3 1.634 106.860 -57.15 0.3020
9 H3 H1 E 8 6 4 1.091 108.695 100.33 0.0000
10 C4 Cg 3 8 6 4 1.626 107.473 -15.89 0.2370
11 H4 H1 E 10 8 6 1.090 108.401 126.25 0.0000
12 C5 Cg 3 10 8 6 1.543 116.861 -110.85 0.2800
13 H52 H1 E 12 10 8 1.090 109.111 -166.53 0.0000
14 H51 H1 E 12 10 8 1.090 111.083 -47.72 0.0000
15 O5 Oh S 12 10 8 1.441 110.629 74.51 -0.6780
16 H5O Ho E 15 12 10 0.962 107.911 53.44 0.4220
17 O4 Os E 10 8 6 1.593 104.822 10.20 -0.5070
18 O3 Os E 8 6 4 1.447 111.050 -140.89 -0.4820
19 O2 Os M 6 4 3 1.455 113.910 66.16 -0.4440
LOOP
O4 C1
DONE
ZXU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.387 98.861 -135.83 0.3880
5 H1 H2 E 4 3 2 1.090 46.961 -113.71 0.0000
6 O4 Os M 4 3 2 1.557 141.976 -176.87 -0.4270
7 C4 Cg M 6 4 3 1.585 113.491 160.80 0.1420
8 H4 H1 E 7 6 4 1.091 108.575 -119.30 0.0000
9 C5 Cg 3 7 6 4 1.541 109.761 121.74 0.2850
10 H52 H1 E 9 7 6 1.091 110.415 -59.53 0.0000
11 H51 H1 E 9 7 6 1.090 109.960 -179.16 0.0000
12 O5 Oh S 9 7 6 1.439 110.113 61.06 -0.6350
13 H5O Ho E 12 9 7 0.959 109.575 48.10 0.3960
14 C3 Cg M 7 6 4 1.626 104.984 -3.27 0.2240
15 H3 H1 E 14 7 6 1.091 107.946 -110.07 0.0000
16 O3 Os E 14 7 6 1.450 112.399 130.64 -0.4440
17 C2 Cg M 14 7 6 1.636 107.660 8.09 0.3820
18 H2 H1 E 17 14 7 1.091 109.319 108.55 0.0000
19 O2 Os M 17 14 7 1.454 110.186 -132.48 -0.5050
LOOP
C2 C1
DONE
ZZA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 22.420 99.000 -130.34 0.3980
5 H1 H2 E 4 3 2 1.090 21.912 102.13 0.0000
6 C2 Cg M 4 3 2 1.551 109.472 7.93 0.3260
7 H2 H1 E 6 4 3 1.091 107.487 74.75 0.0000
8 C3 Cg 3 6 4 3 1.547 112.398 -166.09 0.3000
9 H3 H1 E 8 6 4 1.092 108.680 71.61 0.0000
10 C4 Cg 3 8 6 4 1.555 112.948 -49.44 0.1930
11 H4 H1 E 10 8 6 1.091 109.268 -72.54 0.0000
12 C5 Cg 3 10 8 6 1.550 113.190 48.46 0.1870
13 H5 H1 E 12 10 8 1.092 106.693 67.16 0.0000
14 C6 C B 12 10 8 1.597 111.674 -179.86 0.7980
15 O6A O2 E 14 12 10 1.259 117.589 -37.92 -0.7870
16 O6B O2 E 14 12 10 1.252 118.424 145.06 -0.7870
17 O5 Os E 12 10 8 1.515 110.155 -47.11 -0.5440
18 O4 Oh S 10 8 6 1.452 109.657 168.36 -0.6820
19 H4O Ho E 18 10 8 0.983 105.869 -171.10 0.4220
20 O3 Os E 8 6 4 1.458 107.208 -171.22 -0.4980
21 O2 Os M 6 4 3 1.467 110.139 -42.45 -0.5200
LOOP
O5 C1
DONE
ZZB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 23.413 98.374 -136.24 0.2510
5 H1 H2 E 4 3 2 1.091 70.111 -94.11 0.0000
6 O5 Os M 4 3 2 1.460 133.490 168.28 -0.4130
7 C5 Cg M 6 4 3 1.502 116.304 144.38 0.0750
8 H5 H1 E 7 6 4 1.092 106.868 -58.62 0.0000
9 C6 C B 7 6 4 1.584 116.788 -176.23 0.8930
10 O6B O2 E 9 7 6 1.258 117.333 -166.06 -0.8180
11 O6A O2 E 9 7 6 1.252 118.262 15.31 -0.8180
12 C4 Cg M 7 6 4 1.542 108.303 57.48 0.2670
13 H4 H1 E 12 7 6 1.092 108.248 69.44 0.0000
14 O4 Oh S 12 7 6 1.449 108.907 -172.84 -0.7330
15 H4O Ho E 14 12 7 0.987 105.292 -42.75 0.4290
16 C3 Cg M 12 7 6 1.552 113.280 -51.87 0.2660
17 H3 H1 E 16 12 7 1.092 108.760 -69.98 0.0000
18 O3 Os E 16 12 7 1.459 107.412 172.72 -0.4920
19 C2 Cg M 16 12 7 1.551 112.291 50.40 0.4110
20 H2 H1 E 19 16 12 1.092 109.200 71.99 0.0000
21 O2 Os M 19 16 12 1.458 111.055 -168.01 -0.5120
LOOP
C2 C1
DONE
ZaA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.188 125.377 -138.64 0.4480
5 H1 H2 E 4 3 2 1.091 32.906 146.73 0.0000
6 O5 Os M 4 3 2 1.484 133.629 99.38 -0.5640
7 C5 Cg M 6 4 3 1.479 117.874 -165.14 0.3790
8 H5A H1 E 7 6 4 1.091 109.412 64.62 0.0000
9 H5E H1 E 7 6 4 1.090 109.141 -176.99 0.0000
10 C4 Cg M 7 6 4 1.532 108.551 -56.56 0.2450
11 H4 H1 E 10 7 6 1.091 108.287 -64.52 0.0000
12 O4 Oh S 10 7 6 1.437 109.023 178.50 -0.7480
13 H4O Ho E 12 10 7 0.960 109.412 -63.47 0.4340
14 C3 Cg M 10 7 6 1.543 112.944 55.64 0.3350
15 H3 H1 E 14 10 7 1.091 109.892 -174.01 0.0000
16 O3 Os E 14 10 7 1.441 110.011 67.03 -0.5050
17 C2 Cg M 14 10 7 1.543 111.532 -51.47 0.2680
18 H2 H1 E 17 14 10 1.092 109.910 169.41 0.0000
19 O2 Os M 17 14 10 1.437 107.286 -74.11 -0.4860
LOOP
C2 C1
DONE
ZaB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.197 114.912 -133.16 0.3790
5 H1 H2 E 4 3 2 1.091 60.190 -69.03 0.0000
6 C2 Cg M 4 3 2 1.563 137.254 -156.94 0.3000
7 H2 H1 E 6 4 3 1.091 109.469 14.39 0.0000
8 C3 Cg 3 6 4 3 1.543 109.402 134.96 0.2970
9 H3 H1 E 8 6 4 1.091 109.527 174.23 0.0000
10 C4 Cg 3 8 6 4 1.551 111.469 53.21 0.2240
11 H4 H1 E 10 8 6 1.091 108.923 64.26 0.0000
12 C5 Cg 3 10 8 6 1.546 111.087 -54.81 0.3560
13 H5A H1 E 12 10 8 1.091 110.570 -66.53 0.0000
14 H5E H1 E 12 10 8 1.090 109.958 174.33 0.0000
15 O5 Os E 12 10 8 1.485 110.184 54.27 -0.5290
16 O4 Oh S 10 8 6 1.458 110.429 -177.71 -0.7300
17 H4O Ho E 16 10 8 0.964 110.010 -85.04 0.4400
18 O3 Os E 8 6 4 1.454 108.942 -67.85 -0.4550
19 O2 Os M 6 4 3 1.460 111.691 -105.49 -0.4760
LOOP
O5 C1
DONE
ZaD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.368 114.897 -133.01 0.3680
5 H1 H2 E 4 3 2 1.090 119.976 17.53 0.0000
6 O4 Os M 4 3 2 1.561 59.259 -79.14 -0.4530
7 C4 Cg M 6 4 3 1.585 113.130 -121.92 0.1470
8 H4 H1 E 7 6 4 1.091 108.094 110.87 0.0000
9 C5 Cg 3 7 6 4 1.531 111.011 -129.51 0.3380
10 H51 H1 E 9 7 6 1.090 110.161 -65.64 0.0000
11 H52 H1 E 9 7 6 1.090 110.286 174.71 0.0000
12 O5 Oh S 9 7 6 1.438 109.271 54.27 -0.6960
13 H5O Ho E 12 9 7 0.963 107.879 -70.16 0.3990
14 C3 Cg M 7 6 4 1.617 105.385 -6.71 0.3700
15 H3 H1 E 14 7 6 1.091 110.266 -112.89 0.0000
16 O3 Os E 14 7 6 1.445 109.680 127.75 -0.4930
17 C2 Cg M 14 7 6 1.638 107.830 6.88 0.2780
18 H2 H1 E 17 14 7 1.092 109.588 114.25 0.0000
19 O2 Os M 17 14 7 1.459 110.296 -126.81 -0.4520
LOOP
C2 C1
DONE
ZaU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.454 114.767 -133.16 0.4770
5 H1 H2 E 4 3 2 1.090 87.975 -58.14 0.0000
6 C2 Cg M 4 3 2 1.636 130.777 -176.24 0.3280
7 H2 H1 E 6 4 3 1.091 107.572 122.70 0.0000
8 C3 Cg 3 6 4 3 1.636 107.243 -120.25 0.2150
9 H3 H1 E 8 6 4 1.091 109.548 106.72 0.0000
10 C4 Cg 3 8 6 4 1.623 107.636 -12.21 0.3270
11 H4 H1 E 10 8 6 1.091 110.021 -108.06 0.0000
12 C5 Cg 3 10 8 6 1.536 113.561 128.49 0.2270
13 H51 H1 E 12 10 8 1.090 110.273 60.89 0.0000
14 H52 H1 E 12 10 8 1.090 110.003 -58.63 0.0000
15 O5 Oh S 12 10 8 1.440 109.976 -178.69 -0.6500
16 H5O Ho E 15 12 10 0.963 109.100 48.75 0.3970
17 O4 Os E 10 8 6 1.592 104.988 8.35 -0.5320
18 O3 Os E 8 6 4 1.449 110.684 -133.44 -0.4850
19 O2 Os M 6 4 3 1.456 114.449 2.64 -0.4980
LOOP
O4 C1
DONE
ZdA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.386 115.065 -132.97 0.3980
5 H1 H2 E 4 3 2 1.090 122.721 39.39 0.0000
6 O5 Os M 4 3 2 1.470 69.754 -59.92 -0.4870
7 C5 Cg M 6 4 3 1.490 117.560 -72.03 0.2750
8 H5A H1 E 7 6 4 1.092 108.478 71.52 0.0000
9 H5E H1 E 7 6 4 1.090 108.927 -171.44 0.0000
10 C4 Cg M 7 6 4 1.543 111.684 -49.69 0.3510
11 H4 H1 E 10 7 6 1.091 109.854 -69.03 0.0000
12 O4 Oh S 10 7 6 1.447 108.472 171.92 -0.7110
13 H4O Ho E 12 10 7 0.966 106.152 -168.99 0.4220
14 C3 Cg M 10 7 6 1.545 110.247 52.70 0.1840
15 H3 H1 E 14 10 7 1.091 108.583 60.91 0.0000
16 O3 Os E 14 10 7 1.459 110.859 178.21 -0.4320
17 C2 Cg M 14 10 7 1.549 111.008 -57.45 0.2460
18 H2 H1 E 17 14 10 1.091 109.256 175.96 0.0000
19 O2 Os M 17 14 10 1.458 110.247 -65.62 -0.4400
LOOP
C2 C1
DONE
ZdB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.553 116.316 -128.93 0.4480
5 H1 H2 E 4 3 2 1.091 113.723 25.37 0.0000
6 C2 Cg M 4 3 2 1.543 134.009 -175.87 0.2260
7 H2 H1 E 6 4 3 1.091 110.247 141.57 0.0000
8 C3 Cg 3 6 4 3 1.543 109.102 -97.36 0.2010
9 H3 H1 E 8 6 4 1.092 108.078 -65.99 0.0000
10 C4 Cg 3 8 6 4 1.543 112.432 54.46 0.3350
11 H4 H1 E 10 8 6 1.091 110.326 70.31 0.0000
12 C5 Cg 3 10 8 6 1.539 111.797 -51.79 0.2750
13 H5A H1 E 12 10 8 1.092 110.541 -69.74 0.0000
14 H5E H1 E 12 10 8 1.090 110.214 170.80 0.0000
15 O5 Os E 12 10 8 1.480 110.071 50.34 -0.5190
16 O4 Oh S 10 8 6 1.436 108.765 -169.83 -0.7090
17 H4O Ho E 16 10 8 0.960 109.449 -59.99 0.4360
18 O3 Os E 8 6 4 1.440 109.342 176.73 -0.4630
19 O2 Os M 6 4 3 1.446 108.761 21.88 -0.4240
LOOP
O5 C1
DONE
ZdD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.268 115.026 -133.11 0.3800
5 H1 H1 E 4 3 2 1.090 114.859 26.91 0.0000
6 O4 Os M 4 3 2 1.562 69.561 -75.86 -0.4230
7 C4 Cg M 6 4 3 1.588 112.912 -129.70 0.1890
8 H4 H1 E 7 6 4 1.091 107.600 104.77 0.0000
9 C5 Cg 3 7 6 4 1.537 110.486 -136.68 0.3050
10 H51 H1 E 9 7 6 1.090 110.600 57.42 0.0000
11 H52 H1 E 9 7 6 1.090 110.349 177.71 0.0000
12 O5 Oh S 9 7 6 1.438 108.908 -62.47 -0.6970
13 H5O Ho E 12 9 7 0.962 108.141 56.44 0.4140
14 C3 Cg M 7 6 4 1.624 104.960 -9.27 0.2980
15 H3 H1 E 14 7 6 1.090 111.418 136.70 0.0000
16 O3 Os E 14 7 6 1.446 109.315 -102.58 -0.4550
17 C2 Cg M 14 7 6 1.641 106.916 15.19 0.2290
18 H2 H1 E 17 14 7 1.091 107.286 100.85 0.0000
19 O2 Os M 17 14 7 1.459 112.998 -140.55 -0.4340
LOOP
C2 C1
DONE
ZdU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.298 115.109 -132.95 0.4360
5 H1 H2 E 4 3 2 1.090 33.811 -66.58 0.0000
6 C2 Cg M 4 3 2 1.640 133.355 -123.59 0.2840
7 H2 H1 E 6 4 3 1.089 110.427 15.83 0.0000
8 C3 Cg 3 6 4 3 1.642 106.290 136.04 0.3000
9 H3 H1 E 8 6 4 1.091 107.886 -101.19 0.0000
10 C4 Cg 3 8 6 4 1.620 107.806 14.92 0.1350
11 H4 H1 E 10 8 6 1.091 108.974 -127.93 0.0000
12 C5 Cg 3 10 8 6 1.542 114.725 109.52 0.3730
13 H51 H1 E 12 10 8 1.090 109.887 61.57 0.0000
14 H52 H1 E 12 10 8 1.091 110.456 -58.00 0.0000
15 O5 Oh S 12 10 8 1.439 110.322 -178.69 -0.7250
16 H5O Ho E 15 12 10 0.959 109.321 -36.11 0.4180
17 O4 Os E 10 8 6 1.588 104.668 -11.75 -0.5170
18 O3 Os E 8 6 4 1.446 112.188 139.89 -0.4310
19 O2 Os M 6 4 3 1.464 111.148 -105.13 -0.4670
LOOP
O4 C1
DONE
ZeA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.993 125.517 -138.72 0.4800
5 H1 H2 E 4 3 2 1.091 20.708 146.17 0.0000
6 O5 Os M 4 3 2 1.482 124.869 106.18 -0.5870
7 C5 Cg M 6 4 3 1.485 118.529 -175.71 0.3740
8 H5 H1 E 7 6 4 1.092 108.827 62.09 0.0000
9 C6 Cg 3 7 6 4 1.535 107.746 -179.76 0.2590
10 H61 H1 E 9 7 6 1.091 110.727 55.96 0.0000
11 H62 H1 E 9 7 6 1.090 110.525 176.17 0.0000
12 O6 Oh S 9 7 6 1.434 108.916 -64.43 -0.6630
13 H6O Ho E 12 9 7 0.960 109.470 -59.69 0.4060
14 C4 Cg M 7 6 4 1.541 107.816 -56.28 0.2610
15 H4 H1 E 14 7 6 1.091 108.456 -65.22 0.0000
16 O4 Oh S 14 7 6 1.439 109.886 177.28 -0.7210
17 H4O Ho E 16 14 7 0.960 109.412 -63.34 0.4150
18 C3 Cg M 14 7 6 1.544 113.133 54.81 0.3280
19 H3 H1 E 18 14 7 1.091 109.843 -174.05 0.0000
20 O3 Os E 18 14 7 1.442 110.012 67.08 -0.4880
21 C2 Cg M 18 14 7 1.541 111.809 -51.50 0.1790
22 H2 H1 E 21 18 14 1.092 109.967 169.74 0.0000
23 O2 Os M 21 18 14 1.437 107.327 -73.67 -0.4370
LOOP
C2 C1
DONE
ZeB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.193 114.899 -133.21 0.4880
5 H1 H2 E 4 3 2 1.090 61.366 -68.65 0.0000
6 C2 Cg M 4 3 2 1.560 137.450 -158.61 0.1840
7 H2 H1 E 6 4 3 1.091 109.457 15.58 0.0000
8 C3 Cg 3 6 4 3 1.540 108.887 135.69 0.3150
9 H3 H1 E 8 6 4 1.091 109.473 176.26 0.0000
10 C4 Cg 3 8 6 4 1.554 111.264 55.47 0.3200
11 H4 H1 E 10 8 6 1.091 108.716 63.72 0.0000
12 C5 Cg 3 10 8 6 1.549 111.196 -55.77 0.2570
13 H5 H1 E 12 10 8 1.092 109.111 -65.44 0.0000
14 C6 Cg 3 12 10 8 1.541 112.018 174.42 0.2780
15 H61 H1 E 14 12 10 1.090 110.614 60.34 0.0000
16 H62 H1 E 14 12 10 1.091 110.136 -59.38 0.0000
17 O6 Oh S 14 12 10 1.439 109.977 -179.42 -0.6770
18 H6O Ho E 17 14 12 0.962 108.042 50.79 0.4080
19 O5 Os E 12 10 8 1.501 109.730 53.07 -0.5320
20 O4 Oh S 10 8 6 1.457 110.079 -178.65 -0.7240
21 H4O Ho E 20 10 8 0.964 110.039 -78.83 0.4200
22 O3 Os E 8 6 4 1.454 108.210 -66.23 -0.4720
23 O2 Os M 6 4 3 1.463 112.571 -104.80 -0.4590
LOOP
O5 C1
DONE
ZfA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.290 114.938 -133.05 0.3990
5 H1 H2 E 4 3 2 1.090 120.789 32.75 0.0000
6 O5 Os M 4 3 2 1.472 68.244 -66.42 -0.4940
7 C5 Cg M 6 4 3 1.495 116.875 -70.92 0.1870
8 H5 H1 E 7 6 4 1.091 107.622 67.25 0.0000
9 C6 Cg 3 7 6 4 1.531 107.907 -177.50 0.0650
10 H61 Hc E 9 7 6 1.091 112.013 60.69 0.0000
11 H62 Hc E 9 7 6 1.091 111.136 -59.35 0.0000
12 H63 Hc E 9 7 6 1.090 111.280 -178.78 0.0000
13 C4 Cg M 7 6 4 1.554 111.650 -50.04 0.2630
14 H4 H1 E 13 7 6 1.091 108.736 170.14 0.0000
15 O4 Oh S 13 7 6 1.452 110.366 -71.52 -0.7390
16 H4O Ho E 15 13 7 0.966 107.152 175.93 0.4470
17 C3 Cg M 13 7 6 1.549 111.442 50.00 0.2280
18 H3 H1 E 17 13 7 1.091 108.535 63.68 0.0000
19 O3 Os E 17 13 7 1.464 109.243 -179.40 -0.4610
20 C2 Cg M 17 13 7 1.550 109.944 -55.77 0.4560
21 H2 H1 E 20 17 13 1.091 109.004 -59.37 0.0000
22 O2 Os M 20 17 13 1.463 111.178 -176.89 -0.5450
LOOP
C2 C1
DONE
ZfB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.094 122.532 -140.40 0.4180
5 H1 H2 E 4 3 2 1.091 73.877 -8.00 0.0000
6 C2 Cg M 4 3 2 1.545 109.309 -114.38 0.3460
7 H2 H1 E 6 4 3 1.092 110.063 -86.50 0.0000
8 C3 Cg 3 6 4 3 1.542 111.933 150.88 0.2550
9 H3 H1 E 8 6 4 1.092 108.986 -69.25 0.0000
10 C4 Cg 3 8 6 4 1.542 112.898 50.54 0.2290
11 H4 H1 E 10 8 6 1.091 109.948 -175.33 0.0000
12 C5 Cg 3 10 8 6 1.543 109.625 -54.44 0.1060
13 H5 H1 E 12 10 8 1.092 108.258 -61.07 0.0000
14 C6 Cg 3 12 10 8 1.531 115.663 178.40 0.0920
15 H61 Hc E 14 12 10 1.091 111.160 177.14 0.0000
16 H62 Hc E 14 12 10 1.091 112.070 -62.71 0.0000
17 H63 Hc E 14 12 10 1.091 111.199 57.72 0.0000
18 O5 Os E 12 10 8 1.481 108.818 56.43 -0.4420
19 O4 Oh S 10 8 6 1.445 109.758 64.85 -0.6590
20 H4O Ho E 19 10 8 0.960 109.451 -179.30 0.4230
21 O3 Os E 8 6 4 1.440 109.807 172.76 -0.4430
22 O2 Os M 6 4 3 1.439 107.580 32.59 -0.5190
LOOP
O5 C1
DONE
ZgA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.517 117.256 -129.30 0.5090
5 H1 H2 E 4 3 2 1.090 34.949 152.44 0.0000
6 O5 Os M 4 3 2 1.462 107.113 53.75 -0.5740
7 C5 Cg M 6 4 3 1.500 117.884 -149.78 0.2830
8 H5 H1 E 7 6 4 1.092 108.316 63.90 0.0000
9 C6 Cg 3 7 6 4 1.546 109.651 -177.94 0.2760
10 H61 H1 E 9 7 6 1.091 110.014 48.88 0.0000
11 H62 H1 E 9 7 6 1.090 110.682 168.12 0.0000
12 O6 Oh S 9 7 6 1.444 110.823 -72.03 -0.6820
13 H6O Ho E 12 9 7 0.960 109.735 -78.35 0.4180
14 C4 Cg M 7 6 4 1.543 109.539 -53.99 0.2540
15 H4 H1 E 14 7 6 1.092 109.342 -68.48 0.0000
16 O4 Oh S 14 7 6 1.451 108.995 172.71 -0.7100
17 H4O Ho E 16 14 7 0.968 107.227 -172.23 0.4360
18 C3 Cg M 14 7 6 1.547 111.254 52.54 0.2860
19 H3 H1 E 18 14 7 1.092 109.616 66.99 0.0000
20 O3 Os E 18 14 7 1.452 108.604 -174.42 -0.4660
21 C2 Cg M 18 14 7 1.543 112.114 -54.50 0.2460
22 H2 H1 E 21 18 14 1.091 108.373 -65.99 0.0000
23 O2 Os M 21 18 14 1.465 110.086 176.46 -0.4700
LOOP
C2 C1
DONE
ZgB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.343 114.961 -133.39 0.3840
5 H1 H2 E 4 3 2 1.091 62.534 -68.03 0.0000
6 C2 Cg M 4 3 2 1.554 140.336 -158.45 0.3100
7 H2 H1 E 6 4 3 1.092 109.248 -99.08 0.0000
8 C3 Cg 3 6 4 3 1.545 110.380 140.59 0.2840
9 H3 H1 E 8 6 4 1.092 109.008 -69.00 0.0000
10 C4 Cg 3 8 6 4 1.548 112.113 51.91 0.2760
11 H4 H1 E 10 8 6 1.092 109.378 67.39 0.0000
12 C5 Cg 3 10 8 6 1.543 111.306 -53.55 0.2250
13 H5 H1 E 12 10 8 1.092 109.126 -64.00 0.0000
14 C6 Cg 3 12 10 8 1.541 112.515 175.39 0.2820
15 H61 H1 E 14 12 10 1.090 110.609 61.43 0.0000
16 H62 H1 E 14 12 10 1.091 110.212 -58.37 0.0000
17 O6 Oh S 14 12 10 1.440 109.810 -178.39 -0.6880
18 H6O Ho E 17 14 12 0.962 108.265 53.10 0.4240
19 O5 Os E 12 10 8 1.495 108.909 54.04 -0.4710
20 O4 Oh S 10 8 6 1.448 109.104 -173.75 -0.7140
21 H4O Ho E 20 10 8 0.967 107.435 -50.50 0.4400
22 O3 Os E 8 6 4 1.454 109.219 172.60 -0.4710
23 O2 Os M 6 4 3 1.458 110.080 20.25 -0.4750
LOOP
O5 C1
DONE
ZhA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.373 114.818 -133.12 0.3940
5 H1 H2 E 4 3 2 1.090 123.975 26.37 0.0000
6 O5 Os M 4 3 2 1.473 66.142 -70.59 -0.4610
7 C5 Cg M 6 4 3 1.486 117.952 -69.56 0.2790
8 H5 H1 E 7 6 4 1.092 108.099 67.53 0.0000
9 C6 Cg 3 7 6 4 1.530 106.736 -176.09 0.0230
10 H61 Hc E 9 7 6 1.091 111.668 63.20 0.0000
11 H62 Hc E 9 7 6 1.091 111.314 -56.98 0.0000
12 H63 Hc E 9 7 6 1.090 111.509 -176.49 0.0000
13 C4 Cg M 7 6 4 1.549 110.695 -51.67 0.1870
14 H4 H1 E 13 7 6 1.091 109.781 -68.51 0.0000
15 O4 Oh S 13 7 6 1.456 109.491 172.11 -0.6440
16 H4O Ho E 15 13 7 0.963 110.183 73.83 0.4050
17 C3 Cg M 13 7 6 1.545 110.317 52.49 0.2360
18 H3 H1 E 17 13 7 1.092 108.830 64.14 0.0000
19 O3 Os E 17 13 7 1.452 109.689 -178.23 -0.4180
20 C2 Cg M 17 13 7 1.545 112.380 -55.89 0.2480
21 H2 H1 E 20 17 13 1.091 109.364 174.25 0.0000
22 O2 Os M 20 17 13 1.456 109.714 -67.50 -0.4430
LOOP
C2 C1
DONE
ZhB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 42.030 124.543 -153.41 0.3810
5 H1 H2 E 4 3 2 1.091 139.785 159.66 0.0000
6 C2 Cg M 4 3 2 1.542 96.846 27.94 0.2430
7 H2 H1 E 6 4 3 1.091 110.263 89.84 0.0000
8 C3 Cg 3 6 4 3 1.542 108.951 -149.17 0.1820
9 H3 H1 E 8 6 4 1.092 107.999 -65.80 0.0000
10 C4 Cg 3 8 6 4 1.543 112.684 54.72 0.3880
11 H4 H1 E 10 8 6 1.092 109.930 71.13 0.0000
12 C5 Cg 3 10 8 6 1.547 112.131 -51.25 0.1720
13 H5 H1 E 12 10 8 1.092 109.230 -69.17 0.0000
14 C6M Cg 3 12 10 8 1.530 114.214 169.13 0.0390
15 H3M Hc E 14 12 10 1.091 111.441 61.33 0.0000
16 H2M Hc E 14 12 10 1.091 111.709 -58.98 0.0000
17 H1M Hc E 14 12 10 1.091 111.297 -179.18 0.0000
18 O5 Os E 12 10 8 1.483 109.717 48.94 -0.4270
19 O4 Oh S 10 8 6 1.438 108.082 -169.72 -0.7280
20 H4O Ho E 19 10 8 0.960 109.440 -179.68 0.4320
21 O3 Os E 8 6 4 1.440 109.222 177.05 -0.4410
22 O2 Os M 6 4 3 1.446 108.900 -29.97 -0.4350
LOOP
O5 C1
DONE
ZkA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.976 125.534 -138.69 0.4730
5 H1 H2 E 4 3 2 1.090 21.946 150.50 0.0000
6 O5 Os M 4 3 2 1.481 126.032 109.83 -0.5400
7 C5 Cg M 6 4 3 1.489 117.370 -172.09 0.3010
8 H5 H1 E 7 6 4 1.092 108.051 60.66 0.0000
9 C6 Cg 3 7 6 4 1.535 108.811 177.23 0.2870
10 H61 H1 E 9 7 6 1.091 110.887 56.16 0.0000
11 H62 H1 E 9 7 6 1.090 110.246 176.37 0.0000
12 O6 Oh S 9 7 6 1.434 108.908 -64.18 -0.6910
13 H6O Ho E 12 9 7 0.960 109.471 -59.53 0.4220
14 C4 Cg M 7 6 4 1.549 109.902 -56.18 0.1960
15 H4 H1 E 14 7 6 1.091 109.347 173.46 0.0000
16 O4 Oh S 14 7 6 1.440 109.315 -68.60 -0.7120
17 H4O Ho E 16 14 7 0.960 109.466 -58.47 0.4200
18 C3 Cg M 14 7 6 1.541 113.058 50.90 0.3540
19 H3 H1 E 18 14 7 1.091 110.148 -170.51 0.0000
20 O3 Os E 18 14 7 1.440 107.217 72.05 -0.5020
21 C2 Cg M 18 14 7 1.544 111.196 -48.50 0.2810
22 H2 H1 E 21 18 14 1.091 106.696 -68.80 0.0000
23 O2 Os M 21 18 14 1.439 110.836 175.80 -0.4830
LOOP
C2 C1
DONE
ZkB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.185 114.848 -133.33 0.4490
5 H1 H2 E 4 3 2 1.091 62.517 -65.70 0.0000
6 C2 Cg M 4 3 2 1.557 136.524 -158.30 0.3080
7 H2 H1 E 6 4 3 1.091 108.873 -100.75 0.0000
8 C3 Cg 3 6 4 3 1.547 110.415 140.23 0.2530
9 H3 H1 E 8 6 4 1.091 109.195 174.71 0.0000
10 C4 Cg 3 8 6 4 1.545 111.988 53.40 0.2170
11 H4 H1 E 10 8 6 1.091 109.393 -172.98 0.0000
12 C5 Cg 3 10 8 6 1.553 111.117 -52.75 0.3030
13 H5 H1 E 12 10 8 1.092 107.789 -66.12 0.0000
14 C6 Cg 3 12 10 8 1.542 113.025 175.07 0.2590
15 H61 H1 E 14 12 10 1.090 110.096 53.77 0.0000
16 H62 H1 E 14 12 10 1.090 110.533 -65.83 0.0000
17 O6 Oh S 14 12 10 1.441 110.162 173.71 -0.6700
18 H6O Ho E 17 14 12 0.962 108.273 57.74 0.4160
19 O5 Os E 12 10 8 1.499 110.891 51.77 -0.5140
20 O4 Oh S 10 8 6 1.455 108.780 69.68 -0.7000
21 H4O Ho E 20 10 8 0.964 110.377 74.31 0.4250
22 O3 Os E 8 6 4 1.452 110.271 -66.88 -0.4620
23 O2 Os M 6 4 3 1.462 111.766 18.28 -0.4780
LOOP
O5 C1
DONE
ZlA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.925 125.653 -138.64 0.4650
5 H1 H2 E 4 3 2 1.090 23.855 148.72 0.0000
6 O5 Os M 4 3 2 1.482 127.882 108.48 -0.5270
7 C5 Cg M 6 4 3 1.490 117.039 -170.42 0.2160
8 H5 H1 E 7 6 4 1.092 108.316 59.45 0.0000
9 C6 Cg 3 7 6 4 1.535 108.875 176.32 0.3080
10 H61 H1 E 9 7 6 1.091 110.918 55.87 0.0000
11 H62 H1 E 9 7 6 1.090 110.251 176.10 0.0000
12 O6 Oh S 9 7 6 1.434 108.858 -64.45 -0.6840
13 H6O Ho E 12 9 7 0.960 109.466 -59.52 0.4180
14 C4 Cg M 7 6 4 1.544 109.289 -57.41 0.2040
15 H4 H1 E 14 7 6 1.091 109.671 175.54 0.0000
16 O4 Oh S 14 7 6 1.445 108.372 -65.83 -0.6730
17 H4O Ho E 16 14 7 0.960 109.470 -59.12 0.4360
18 C3 Cg M 14 7 6 1.544 110.422 54.45 0.2530
19 H3 H1 E 18 14 7 1.091 108.559 66.00 0.0000
20 O3 Os E 18 14 7 1.440 109.147 -176.39 -0.4620
21 C2 Cg M 18 14 7 1.541 111.714 -54.48 0.3390
22 H2 H1 E 21 18 14 1.091 108.995 -66.63 0.0000
23 O2 Os M 21 18 14 1.440 110.049 175.31 -0.4870
LOOP
C2 C1
DONE
ZlB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.307 114.995 -133.39 0.3740
5 H1 H2 E 4 3 2 1.091 62.416 -68.26 0.0000
6 C2 Cg M 4 3 2 1.558 139.693 -157.87 0.3570
7 H2 H1 E 6 4 3 1.092 109.611 -98.76 0.0000
8 C3 Cg 3 6 4 3 1.547 110.130 140.44 0.2590
9 H3 H1 E 8 6 4 1.092 108.676 -66.21 0.0000
10 C4 Cg 3 8 6 4 1.546 112.254 53.31 0.2030
11 H4 H1 E 10 8 6 1.091 109.260 -175.38 0.0000
12 C5 Cg 3 10 8 6 1.545 110.517 -55.04 0.1400
13 H5 H1 E 12 10 8 1.092 107.648 -63.90 0.0000
14 C6 Cg 3 12 10 8 1.539 113.155 176.88 0.3190
15 H61 H1 E 14 12 10 1.090 110.337 53.86 0.0000
16 H62 H1 E 14 12 10 1.091 110.848 -66.38 0.0000
17 O6 Oh S 14 12 10 1.437 109.027 173.44 -0.6930
18 H6O Ho E 17 14 12 0.961 107.830 58.33 0.4190
19 O5 Os E 12 10 8 1.495 110.103 53.62 -0.4020
20 O4 Oh S 10 8 6 1.449 109.638 65.91 -0.6640
21 H4O Ho E 20 10 8 0.967 107.158 51.40 0.4370
22 O3 Os E 8 6 4 1.455 110.815 175.60 -0.4550
23 O2 Os M 6 4 3 1.459 109.860 20.73 -0.4880
LOOP
O5 C1
DONE
ZmA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.544 117.125 -129.19 0.4330
5 H1 H2 E 4 3 2 1.090 37.538 143.34 0.0000
6 O5 Os M 4 3 2 1.470 109.980 48.26 -0.5070
7 C5 Cg M 6 4 3 1.497 118.408 -149.79 0.2760
8 H5 H1 E 7 6 4 1.092 108.020 67.79 0.0000
9 C6 Cg 3 7 6 4 1.544 109.404 -174.23 0.2660
10 H61 H1 E 9 7 6 1.091 110.051 50.51 0.0000
11 H62 H1 E 9 7 6 1.090 110.579 169.68 0.0000
12 O6 Oh S 9 7 6 1.444 110.952 -70.49 -0.6880
13 H6O Ho E 12 9 7 0.960 109.923 -72.72 0.4220
14 C4 Cg M 7 6 4 1.546 110.394 -50.35 0.3260
15 H4 H1 E 14 7 6 1.091 109.924 -69.18 0.0000
16 O4 Oh S 14 7 6 1.452 108.824 171.70 -0.7330
17 H4O Ho E 16 14 7 0.966 107.267 -173.46 0.4380
18 C3 Cg M 14 7 6 1.549 110.605 52.31 0.2520
19 H3 H1 E 18 14 7 1.092 108.663 62.49 0.0000
20 O3 Os E 18 14 7 1.461 110.813 -179.59 -0.4590
21 C2 Cg M 18 14 7 1.545 111.609 -57.15 0.2450
22 H2 H1 E 21 18 14 1.091 109.207 175.17 0.0000
23 O2 Os M 21 18 14 1.459 109.731 -66.73 -0.4650
LOOP
C2 C1
DONE
ZmB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.277 114.931 -133.39 0.3140
5 H1 H2 E 4 3 2 1.091 67.586 -71.77 0.0000
6 C2 Cg M 4 3 2 1.554 139.883 -166.84 0.2410
7 H2 H1 E 6 4 3 1.091 109.830 20.42 0.0000
8 C3 Cg 3 6 4 3 1.547 107.300 140.06 0.2630
9 H3 H1 E 8 6 4 1.092 107.890 -58.13 0.0000
10 C4 Cg 3 8 6 4 1.553 110.623 60.52 0.3490
11 H4 H1 E 10 8 6 1.091 109.997 63.90 0.0000
12 C5 Cg 3 10 8 6 1.550 110.419 -57.43 0.2060
13 H5 H1 E 12 10 8 1.092 108.705 -67.76 0.0000
14 C6 Cg 3 12 10 8 1.539 111.873 172.30 0.2730
15 H61 H1 E 14 12 10 1.090 110.558 59.60 0.0000
16 H62 H1 E 14 12 10 1.091 110.262 -60.18 0.0000
17 O6 Oh S 14 12 10 1.439 109.850 179.68 -0.6800
18 H6O Ho E 17 14 12 0.962 108.414 55.86 0.4190
19 O5 Os E 12 10 8 1.498 110.843 50.51 -0.3930
20 O4 Oh S 10 8 6 1.452 109.624 -176.73 -0.7460
21 H4O Ho E 20 10 8 0.963 108.380 -79.71 0.4430
22 O3 Os E 8 6 4 1.457 110.746 -174.70 -0.4560
23 O2 Os M 6 4 3 1.459 109.767 -99.50 -0.4270
LOOP
O5 C1
DONE
ZnA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.922 125.442 -138.67 0.4780
5 H1 H2 E 4 3 2 1.090 20.976 139.75 0.0000
6 O5 Os M 4 3 2 1.480 126.608 106.62 -0.6110
7 C5 Cg M 6 4 3 1.489 118.545 -177.31 0.4040
8 H5 H1 E 7 6 4 1.092 108.618 64.36 0.0000
9 C6 Cg 3 7 6 4 1.535 107.673 -177.70 0.2800
10 H61 H1 E 9 7 6 1.091 110.668 56.63 0.0000
11 H62 H1 E 9 7 6 1.090 110.540 176.79 0.0000
12 O6 Oh S 9 7 6 1.434 109.011 -63.74 -0.6630
13 H6O Ho E 12 9 7 0.960 109.493 -59.88 0.3960
14 C4 Cg M 7 6 4 1.545 108.589 -54.12 0.1670
15 H4 H1 E 14 7 6 1.091 108.424 -67.01 0.0000
16 O4 Oh S 14 7 6 1.439 109.651 175.64 -0.7330
17 H4O Ho E 16 14 7 0.960 109.442 -61.75 0.4440
18 C3 Cg M 14 7 6 1.543 113.659 53.11 0.3300
19 H3 H1 E 18 14 7 1.091 110.022 -173.93 0.0000
20 O3 Os E 18 14 7 1.445 109.798 66.31 -0.4670
21 C2 Cg M 18 14 7 1.541 108.602 -53.52 0.2280
22 H2 H1 E 21 18 14 1.091 106.837 -65.32 0.0000
23 O2 Os M 21 18 14 1.439 110.703 179.06 -0.4470
LOOP
C2 C1
DONE
ZnB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 114.848 -133.33 0.4220
5 H1 H2 E 4 3 2 1.092 62.863 -67.41 0.0000
6 C2 Cg M 4 3 2 1.558 137.931 -159.60 0.3010
7 H2 H1 E 6 4 3 1.093 108.885 -99.40 0.0000
8 C3 Cg 3 6 4 3 1.544 110.844 141.66 0.2340
9 H3 H1 E 8 6 4 1.092 109.398 175.17 0.0000
10 C4 Cg 3 8 6 4 1.546 109.920 54.68 0.2860
11 H4 H1 E 10 8 6 1.091 108.699 62.12 0.0000
12 C5 Cg 3 10 8 6 1.547 111.303 -57.50 0.1980
13 H5 H1 E 12 10 8 1.091 109.233 -61.92 0.0000
14 C6 Cg 3 12 10 8 1.541 112.741 177.70 0.3130
15 H61 H1 E 14 12 10 1.090 110.689 61.33 0.0000
16 H62 H1 E 14 12 10 1.090 110.338 -58.85 0.0000
17 O6 Oh S 14 12 10 1.438 109.178 -178.76 -0.6890
18 H6O Ho E 17 14 12 0.962 107.694 47.58 0.4180
19 O5 Os E 12 10 8 1.500 108.536 56.16 -0.5070
20 O4 Oh S 10 8 6 1.447 109.608 179.74 -0.7070
21 H4O Ho E 20 10 8 0.966 108.053 38.89 0.4300
22 O3 Os E 8 6 4 1.458 109.599 -65.98 -0.4200
23 O2 Os M 6 4 3 1.458 111.714 19.64 -0.4730
LOOP
O5 C1
DONE
ZoA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.463 117.245 -129.47 0.3050
5 H1 H2 E 4 3 2 1.090 34.578 150.44 0.0000
6 O5 Os M 4 3 2 1.471 105.819 50.53 -0.4240
7 C5 Cg M 6 4 3 1.515 118.146 -155.23 0.0540
8 H5 H1 E 7 6 4 1.092 107.817 65.63 0.0000
9 C6 C B 7 6 4 1.566 116.761 -173.10 0.8960
10 O6B O2 E 9 7 6 1.255 117.285 49.97 -0.8220
11 O6A O2 E 9 7 6 1.252 116.529 -135.07 -0.8220
12 C4 Cg M 7 6 4 1.540 109.060 -52.35 0.2670
13 H4 H1 E 12 7 6 1.091 109.560 176.88 0.0000
14 O4 Oh S 12 7 6 1.455 107.562 -64.91 -0.7040
15 H4O Ho E 14 12 7 0.981 106.629 -34.53 0.4290
16 C3 Cg M 12 7 6 1.551 109.735 56.67 0.2510
17 H3 H1 E 16 12 7 1.092 108.010 56.95 0.0000
18 O3 Os E 16 12 7 1.460 111.816 174.01 -0.5030
19 C2 Cg M 16 12 7 1.548 110.284 -61.11 0.4130
20 H2 H1 E 19 16 12 1.091 109.347 -64.48 0.0000
21 O2 Os M 19 16 12 1.464 110.220 176.88 -0.5340
LOOP
C2 C1
DONE
ZoB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.219 115.043 -133.41 0.3010
5 H1 H2 E 4 3 2 1.091 63.366 -68.89 0.0000
6 C2 Cg M 4 3 2 1.559 138.871 -159.91 0.3830
7 H2 H1 E 6 4 3 1.091 109.614 -94.43 0.0000
8 C3 Cg 3 6 4 3 1.553 110.962 144.51 0.2590
9 H3 H1 E 8 6 4 1.092 108.228 -67.30 0.0000
10 C4 Cg 3 8 6 4 1.548 111.733 51.56 0.2600
11 H4 H1 E 10 8 6 1.091 108.447 -176.52 0.0000
12 C5 Cg 3 10 8 6 1.538 110.856 -55.81 0.0490
13 H5 H1 E 12 10 8 1.092 107.135 -59.52 0.0000
14 C6 C B 12 10 8 1.574 110.283 -172.73 0.8380
15 O6A O2 E 14 12 10 1.254 118.706 -136.36 -0.7940
16 O6B O2 E 14 12 10 1.256 116.247 49.13 -0.7940
17 O5 Os E 12 10 8 1.506 109.239 55.41 -0.4140
18 O4 Oh S 10 8 6 1.450 109.430 65.27 -0.6610
19 H4O Ho E 18 10 8 0.961 107.547 51.96 0.4020
20 O3 Os E 8 6 4 1.466 112.472 174.09 -0.4980
21 O2 Os M 6 4 3 1.460 107.566 23.78 -0.5250
LOOP
O5 C1
DONE
ZqA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.363 114.978 -133.03 0.4650
5 H1 H1 E 4 3 2 1.090 121.763 32.99 0.0000
6 O5 Os M 4 3 2 1.467 70.798 -67.46 -0.5590
7 C5 Cg M 6 4 3 1.487 117.291 -66.87 0.2340
8 H5 H1 E 7 6 4 1.092 108.269 65.21 0.0000
9 C6 Cg 3 7 6 4 1.531 106.976 -178.31 0.0600
10 H61 Hc E 9 7 6 1.091 111.279 -57.12 0.0000
11 H62 Hc E 9 7 6 1.091 111.508 -176.59 0.0000
12 H63 Hc E 9 7 6 1.091 111.703 63.05 0.0000
13 C4 Cg M 7 6 4 1.546 110.112 -53.83 0.2080
14 H4 H1 E 13 7 6 1.092 109.076 -69.57 0.0000
15 O4 Oh S 13 7 6 1.456 108.902 171.97 -0.6640
16 H4O Ho E 15 13 7 0.963 110.329 76.40 0.4030
17 C3 Cg M 13 7 6 1.550 111.848 51.22 0.3120
18 H3 H1 E 17 13 7 1.092 109.484 68.56 0.0000
19 O3 Os E 17 13 7 1.451 107.191 -173.73 -0.4670
20 C2 Cg M 17 13 7 1.550 112.115 -52.85 0.2810
21 H2 H1 E 20 17 13 1.091 108.369 -65.92 0.0000
22 O2 Os M 20 17 13 1.464 112.236 175.32 -0.4670
LOOP
C2 C1
DONE
ZqB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.342 114.850 -133.09 0.3910
5 H1 H1 E 4 3 2 1.091 66.637 -64.20 0.0000
6 C2 Cg M 4 3 2 1.554 136.503 -160.98 0.3230
7 H2 H1 E 6 4 3 1.092 109.276 -93.94 0.0000
8 C3 Cg 3 6 4 3 1.546 109.870 145.94 0.3000
9 H3 H1 E 8 6 4 1.092 108.841 -69.08 0.0000
10 C4 Cg 3 8 6 4 1.549 112.577 51.86 0.2500
11 H4 H1 E 10 8 6 1.092 109.316 68.82 0.0000
12 C5 Cg 3 10 8 6 1.548 111.410 -52.00 0.2710
13 H5 H1 E 12 10 8 1.092 109.263 -66.11 0.0000
14 C6 Cg 3 12 10 8 1.530 114.065 172.27 0.0480
15 H61 Hc E 14 12 10 1.091 111.262 -178.50 0.0000
16 H62 Hc E 14 12 10 1.091 111.509 62.03 0.0000
17 H63 Hc E 14 12 10 1.091 111.710 -58.34 0.0000
18 O5 Os E 12 10 8 1.486 109.336 52.29 -0.5350
19 O4 Oh S 10 8 6 1.451 109.144 -172.28 -0.7130
20 H4O Ho E 19 10 8 0.966 107.748 -53.29 0.4210
21 O3 Os E 8 6 4 1.454 109.133 172.74 -0.4630
22 O2 Os M 6 4 3 1.460 110.327 25.57 -0.4870
LOOP
O5 C1
DONE
ZrA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 38.108 125.437 -138.65 0.4880
5 H1 H2 E 4 3 2 1.090 34.452 139.99 0.0000
6 O5 Os M 4 3 2 1.483 136.062 95.09 -0.5610
7 C5 Cg M 6 4 3 1.483 117.768 -164.72 0.3770
8 H5A H1 E 7 6 4 1.091 109.204 66.57 0.0000
9 H5E H1 E 7 6 4 1.090 109.080 -175.36 0.0000
10 C4 Cg M 7 6 4 1.537 109.246 -54.64 0.1220
11 H4 H1 E 10 7 6 1.091 108.264 -65.95 0.0000
12 O4 Oh S 10 7 6 1.437 108.837 177.17 -0.6630
13 H4O Ho E 12 10 7 0.960 109.433 -61.56 0.4190
14 C3 Cg M 10 7 6 1.542 113.340 54.31 0.3450
15 H3 H1 E 14 10 7 1.091 110.108 -174.25 0.0000
16 O3 Os E 14 10 7 1.445 109.754 65.90 -0.4880
17 C2 Cg M 14 10 7 1.542 108.334 -53.79 0.2530
18 H2 H1 E 17 14 10 1.091 106.798 -65.63 0.0000
19 O2 Os M 17 14 10 1.439 110.674 178.86 -0.4860
LOOP
C2 C1
DONE
ZrB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.205 115.033 -133.24 0.4810
5 H1 H2 E 4 3 2 1.090 58.746 -70.52 0.0000
6 C2 Cg M 4 3 2 1.563 140.544 -157.28 0.3850
7 H2 H1 E 6 4 3 1.092 108.121 -109.69 0.0000
8 C3 Cg 3 6 4 3 1.550 109.259 132.95 0.2030
9 H3 H1 E 8 6 4 1.091 109.709 178.53 0.0000
10 C4 Cg 3 8 6 4 1.548 108.635 58.66 0.2360
11 H4 H1 E 10 8 6 1.091 108.914 60.36 0.0000
12 C5 Cg 3 10 8 6 1.549 110.878 -58.91 0.3350
13 H5A H1 E 12 10 8 1.091 110.751 -65.58 0.0000
14 H5E H1 E 12 10 8 1.090 110.011 175.14 0.0000
15 O5 Os E 12 10 8 1.488 109.926 55.20 -0.5760
16 O4 Oh S 10 8 6 1.453 110.299 178.35 -0.6950
17 H4O Ho E 16 10 8 0.963 110.348 -71.99 0.4110
18 O3 Os E 8 6 4 1.460 111.251 -60.93 -0.4620
19 O2 Os M 6 4 3 1.459 113.253 8.58 -0.5120
LOOP
O5 C1
DONE
ZrD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 31.783 117.445 -130.09 0.4450
5 H1 H2 E 4 3 2 1.090 21.504 -157.11 0.0000
6 O4 Os M 4 3 2 1.561 97.975 72.12 -0.5130
7 C4 Cg M 6 4 3 1.590 113.384 153.92 0.3270
8 H4 H1 E 7 6 4 1.091 109.128 114.99 0.0000
9 C5 Cg 3 7 6 4 1.540 110.745 -124.36 0.1950
10 H51 H1 E 9 7 6 1.090 109.790 172.36 0.0000
11 H52 H1 E 9 7 6 1.090 109.854 53.62 0.0000
12 O5 Oh S 9 7 6 1.441 111.480 -67.27 -0.6670
13 H5O Ho E 12 9 7 0.961 110.927 -63.80 0.4080
14 C3 Cg M 7 6 4 1.627 104.801 -3.59 0.2750
15 H3 H1 E 14 7 6 1.090 111.845 -130.65 0.0000
16 O3 Os E 14 7 6 1.452 108.122 109.49 -0.4950
17 C2 Cg M 14 7 6 1.641 107.074 -9.06 0.3180
18 H2 H1 E 17 14 7 1.090 106.590 -95.30 0.0000
19 O2 Os M 17 14 7 1.461 113.571 147.17 -0.4870
LOOP
C2 C1
DONE
ZrU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.407 114.701 -133.21 0.3780
5 H1 H1 E 4 3 2 1.091 84.946 -59.46 0.0000
6 C2 Cg M 4 3 2 1.633 131.021 -175.92 0.2930
7 H2 H1 E 6 4 3 1.091 111.731 -2.35 0.0000
8 C3 Cg 3 6 4 3 1.643 106.357 -122.88 0.2890
9 H3 H1 E 8 6 4 1.091 108.114 103.55 0.0000
10 C4 Cg 3 8 6 4 1.616 107.735 -14.49 0.1020
11 H4 H1 E 10 8 6 1.091 109.546 -104.49 0.0000
12 C5 Cg 3 10 8 6 1.534 112.497 133.15 0.3380
13 H51 H1 E 12 10 8 1.090 110.394 -65.27 0.0000
14 H52 H1 E 12 10 8 1.090 110.006 54.34 0.0000
15 O5 Oh S 12 10 8 1.436 109.887 174.05 -0.6920
16 H5O Ho E 15 12 10 0.959 109.586 -178.63 0.4150
17 O4 Os E 10 8 6 1.587 104.949 11.40 -0.4240
18 O3 Os E 8 6 4 1.443 112.608 -136.62 -0.4490
19 O2 Os M 6 4 3 1.462 109.045 117.82 -0.4440
LOOP
O4 C1
DONE
ZtA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 37.920 125.657 -138.57 0.4560
5 H1 H2 E 4 3 2 1.091 24.806 146.69 0.0000
6 O5 Os M 4 3 2 1.485 128.488 106.55 -0.4800
7 C5 Cg M 6 4 3 1.488 117.752 -170.76 0.1570
8 H5 H1 E 7 6 4 1.092 108.168 59.67 0.0000
9 C6 Cg 3 7 6 4 1.535 108.822 176.46 0.3040
10 H61 H1 E 9 7 6 1.091 110.896 55.84 0.0000
11 H62 H1 E 9 7 6 1.090 110.263 176.07 0.0000
12 O6 Oh S 9 7 6 1.434 108.863 -64.48 -0.6690
13 H6O Ho E 12 9 7 0.960 109.462 -59.57 0.4010
14 C4 Cg M 7 6 4 1.544 109.541 -57.17 0.4340
15 H4 H1 E 14 7 6 1.091 109.540 173.93 0.0000
16 O4 Oh S 14 7 6 1.443 109.067 -67.36 -0.7310
17 H4O Ho E 16 14 7 0.960 109.459 -59.56 0.4170
18 C3 Cg M 14 7 6 1.543 109.739 53.52 0.1240
19 H3 H1 E 18 14 7 1.091 106.734 65.74 0.0000
20 O3 Os E 18 14 7 1.439 110.707 -178.75 -0.4390
21 C2 Cg M 18 14 7 1.545 114.910 -52.34 0.2450
22 H2 H1 E 21 18 14 1.091 109.723 171.12 0.0000
23 O2 Os M 21 18 14 1.440 110.347 -69.94 -0.4130
LOOP
C2 C1
DONE
ZtB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 39.043 122.533 -140.49 0.3060
5 H1 H2 E 4 3 2 1.091 69.301 -9.50 0.0000
6 C2 Cg M 4 3 2 1.544 110.973 -112.92 0.3400
7 H2 H1 E 6 4 3 1.091 110.012 18.50 0.0000
8 C3 Cg 3 6 4 3 1.545 108.990 139.13 0.1740
9 H3 H1 E 8 6 4 1.091 106.777 -66.52 0.0000
10 C4 Cg 3 8 6 4 1.547 114.890 51.64 0.3140
11 H4 H1 E 10 8 6 1.091 109.570 -171.49 0.0000
12 C5 Cg 3 10 8 6 1.547 110.218 -50.96 0.0310
13 H5 H1 E 12 10 8 1.092 107.394 -65.47 0.0000
14 C6 Cg 3 12 10 8 1.535 115.137 174.64 0.3490
15 H61 H1 E 14 12 10 1.090 110.278 53.24 0.0000
16 H62 H1 E 14 12 10 1.091 110.886 -67.01 0.0000
17 O6 Oh S 14 12 10 1.434 108.837 172.73 -0.6660
18 H6O Ho E 17 14 12 0.960 109.430 59.34 0.4060
19 O5 Os E 12 10 8 1.487 109.426 51.66 -0.3540
20 O4 Oh S 10 8 6 1.443 110.169 69.26 -0.6260
21 H4O Ho E 20 10 8 0.960 109.455 179.72 0.4130
22 O3 Os E 8 6 4 1.439 110.677 177.92 -0.4470
23 O2 Os M 6 4 3 1.444 109.193 -100.97 -0.4340
LOOP
O5 C1
DONE
ZuA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.331 115.066 -133.04 0.3630
5 H1 H2 E 4 3 2 1.090 112.585 40.61 0.0000
6 O5 Os M 4 3 2 1.464 75.208 -64.60 -0.5150
7 C5 Cg M 6 4 3 1.503 115.778 174.97 0.2320
8 H5 H1 E 7 6 4 1.091 106.633 176.67 0.0000
9 C6 C B 7 6 4 1.591 118.545 -64.62 0.6970
10 O6B O2 E 9 7 6 1.255 117.111 177.25 -0.7570
11 O6A O2 E 9 7 6 1.252 118.306 0.19 -0.7570
12 C4 Cg M 7 6 4 1.541 106.777 61.95 0.2230
13 H4 H1 E 12 7 6 1.092 108.348 60.65 0.0000
14 O4 Oh S 12 7 6 1.461 110.851 178.69 -0.7110
15 H4O Ho E 14 12 7 0.984 107.477 28.92 0.3970
16 C3 Cg M 12 7 6 1.551 110.331 -57.99 0.4170
17 H3 H1 E 16 12 7 1.092 108.572 -66.35 0.0000
18 O3 Os E 16 12 7 1.454 107.203 176.93 -0.5480
19 C2 Cg M 16 12 7 1.555 113.490 54.77 0.2590
20 H2 H1 E 19 16 12 1.092 108.782 71.56 0.0000
21 O2 Os M 19 16 12 1.469 110.384 -169.42 -0.4940
LOOP
C2 C1
DONE
ZuB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.227 114.589 -133.46 0.2780
5 H1 H2 E 4 3 2 1.090 72.253 -57.04 0.0000
6 C2 Cg M 4 3 2 1.557 131.485 -157.03 0.2890
7 H2 H1 E 6 4 3 1.091 107.118 137.49 0.0000
8 C3 Cg 3 6 4 3 1.545 111.752 -104.72 0.2860
9 H3 H1 E 8 6 4 1.091 110.248 64.55 0.0000
10 C4 Cg 3 8 6 4 1.552 109.635 -56.61 0.3080
11 H4 H1 E 10 8 6 1.092 107.907 -61.83 0.0000
12 C5 Cg 3 10 8 6 1.546 112.015 56.37 0.1940
13 H5 H1 E 12 10 8 1.091 107.278 -167.70 0.0000
14 C6 C B 12 10 8 1.581 111.637 77.65 0.7500
15 O6A O2 E 14 12 10 1.252 117.516 -129.70 -0.7830
16 O6B O2 E 14 12 10 1.255 117.682 48.62 -0.7830
17 O5 Os E 12 10 8 1.512 108.685 -52.87 -0.4300
18 O4 Oh S 10 8 6 1.456 110.245 -178.60 -0.7450
19 H4O Ho E 18 10 8 0.987 106.847 -97.51 0.4220
20 O3 Os E 8 6 4 1.460 109.228 -175.94 -0.5280
21 O2 Os M 6 4 3 1.455 112.599 20.48 -0.4520
LOOP
O5 C1
DONE
ZxA INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.412 115.134 -132.97 0.4820
5 H1 H2 E 4 3 2 1.090 123.148 41.70 0.0000
6 O5 Os M 4 3 2 1.463 72.514 -59.75 -0.5880
7 C5 Cg M 6 4 3 1.489 117.248 -67.03 0.3350
8 H5A H1 E 7 6 4 1.091 108.858 68.16 0.0000
9 H5E H1 E 7 6 4 1.090 108.909 -174.49 0.0000
10 C4 Cg M 7 6 4 1.539 111.025 -53.24 0.2470
11 H4 H1 E 10 7 6 1.091 108.937 -68.60 0.0000
12 O4 Oh S 10 7 6 1.453 108.593 173.08 -0.7200
13 H4O Ho E 12 10 7 0.967 107.931 -176.07 0.4200
14 C3 Cg M 10 7 6 1.547 110.634 51.97 0.3590
15 H3 H1 E 14 10 7 1.092 109.703 67.85 0.0000
16 O3 Os E 14 10 7 1.451 108.617 -173.43 -0.4850
17 C2 Cg M 14 10 7 1.543 112.192 -53.97 0.1970
18 H2 H1 E 17 14 10 1.091 108.478 -65.50 0.0000
19 O2 Os M 17 14 10 1.464 110.541 176.58 -0.4410
LOOP
C2 C1
DONE
ZxB INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.464 114.825 -132.75 0.2480
5 H1 H2 E 4 3 2 1.091 66.134 -66.21 0.0000
6 C2 Cg M 4 3 2 1.557 136.744 -161.60 0.4250
7 H2 H1 E 6 4 3 1.092 109.351 -93.35 0.0000
8 C3 Cg 3 6 4 3 1.547 111.138 145.56 0.2280
9 H3 H1 E 8 6 4 1.092 109.005 -68.97 0.0000
10 C4 Cg 3 8 6 4 1.546 111.370 51.34 0.2860
11 H4 H1 E 10 8 6 1.091 109.653 67.94 0.0000
12 C5 Cg 3 10 8 6 1.541 111.571 -53.00 0.3030
13 H5A H1 E 12 10 8 1.092 110.518 -66.11 0.0000
14 H5E H1 E 12 10 8 1.090 110.176 174.39 0.0000
15 O5 Os E 12 10 8 1.482 109.795 54.26 -0.4470
16 O4 Oh S 10 8 6 1.447 109.213 -172.90 -0.7230
17 H4O Ho E 16 10 8 0.966 107.383 -51.48 0.4300
18 O3 Os E 8 6 4 1.458 109.994 172.23 -0.4490
19 O2 Os M 6 4 3 1.452 109.095 25.68 -0.4950
LOOP
O5 C1
DONE
ZxD INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.594 114.988 -132.87 0.4280
5 H1 H1 E 4 3 2 1.090 132.003 29.40 0.0000
6 O4 Os M 4 3 2 1.561 69.372 -71.25 -0.5070
7 C4 Cg M 6 4 3 1.593 113.153 -99.38 0.2370
8 H4 H1 E 7 6 4 1.090 108.789 116.35 0.0000
9 C5 Cg 3 7 6 4 1.543 109.223 -125.39 0.2800
10 H51 H1 E 9 7 6 1.090 111.083 166.42 0.0000
11 H52 H1 E 9 7 6 1.090 109.111 -74.77 0.0000
12 O5 Oh S 9 7 6 1.441 110.629 44.19 -0.6780
13 H5O Ho E 12 9 7 0.962 107.911 -53.44 0.4220
14 C3 Cg M 7 6 4 1.626 104.822 0.57 0.3020
15 H3 H1 E 14 7 6 1.091 107.635 106.72 0.0000
16 O3 Os E 14 7 6 1.447 113.750 -133.56 -0.4820
17 C2 Cg M 14 7 6 1.634 107.473 -10.20 0.2480
18 H2 H1 E 17 14 7 1.091 108.718 -100.07 0.0000
19 O2 Os M 17 14 7 1.455 111.279 140.82 -0.4440
LOOP
C2 C1
DONE
ZxU INT 0
CORRECT OMIT DU BEG
-0.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.174 114.918 -132.94 0.3880
5 H1 H2 E 4 3 2 1.090 35.467 -62.24 0.0000
6 C2 Cg M 4 3 2 1.632 131.215 -128.66 0.3820
7 H2 H1 E 6 4 3 1.091 109.438 -95.81 0.0000
8 C3 Cg 3 6 4 3 1.636 107.260 145.70 0.2240
9 H3 H1 E 8 6 4 1.091 109.533 -107.12 0.0000
10 C4 Cg 3 8 6 4 1.626 107.660 10.02 0.1420
11 H4 H1 E 10 8 6 1.091 108.631 -124.08 0.0000
12 C5 Cg 3 10 8 6 1.541 115.732 113.08 0.2850
13 H51 H1 E 12 10 8 1.090 109.960 60.60 0.0000
14 H52 H1 E 12 10 8 1.091 110.415 -59.03 0.0000
15 O5 Oh S 12 10 8 1.439 110.113 -179.62 -0.6350
16 H5O Ho E 15 12 10 0.959 109.575 -48.10 0.3960
17 O4 Os E 10 8 6 1.585 104.984 -8.09 -0.4270
18 O3 Os E 8 6 4 1.450 111.002 133.42 -0.4440
19 O2 Os M 6 4 3 1.454 112.254 24.53 -0.5050
LOOP
O4 C1
DONE
ZzA INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 32.493 117.276 -129.39 0.3980
5 H1 H2 E 4 3 2 1.090 32.570 152.52 0.0000
6 O5 Os M 4 3 2 1.458 108.055 55.77 -0.5440
7 C5 Cg M 6 4 3 1.515 118.156 -151.21 0.1870
8 H5 H1 E 7 6 4 1.092 105.702 62.73 0.0000
9 C6 C B 7 6 4 1.597 117.705 178.26 0.7980
10 O6B O2 E 9 7 6 1.252 118.424 -16.19 -0.7870
11 O6A O2 E 9 7 6 1.259 117.589 166.79 -0.7870
12 C4 Cg M 7 6 4 1.550 110.155 -52.17 0.1930
13 H4 H1 E 12 7 6 1.091 108.479 -74.33 0.0000
14 O4 Oh S 12 7 6 1.452 107.400 168.29 -0.6820
15 H4O Ho E 14 12 7 0.983 105.869 47.72 0.4220
16 C3 Cg M 12 7 6 1.555 113.190 47.11 0.3000
17 H3 H1 E 16 12 7 1.092 108.970 72.43 0.0000
18 O3 Os E 16 12 7 1.458 110.360 -168.45 -0.4980
19 C2 Cg M 16 12 7 1.547 112.948 -48.46 0.3260
20 H2 H1 E 19 16 12 1.091 108.371 -69.20 0.0000
21 O2 Os M 19 16 12 1.467 110.467 172.90 -0.5200
LOOP
C2 C1
DONE
ZzB INT 0
CORRECT OMIT DU BEG
-1.1940
1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000
2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000
3 DUMM DU M 2 1 0 1.296 74.264 0.00 0.0000
4 C1 Cg M 3 2 1 33.259 115.039 -133.39 0.2510
5 H1 H2 E 4 3 2 1.091 63.566 -66.62 0.0000
6 C2 Cg M 4 3 2 1.556 136.448 -159.63 0.4110
7 H2 H1 E 6 4 3 1.092 109.113 -96.54 0.0000
8 C3 Cg 3 6 4 3 1.551 111.345 142.85 0.2660
9 H3 H1 E 8 6 4 1.092 108.729 -71.83 0.0000
10 C4 Cg 3 8 6 4 1.552 112.291 48.56 0.2670
11 H4 H1 E 10 8 6 1.092 109.244 70.35 0.0000
12 C5 Cg 3 10 8 6 1.542 113.280 -50.40 0.0750
13 H5 H1 E 12 10 8 1.092 107.974 -63.51 0.0000
14 C6 C B 12 10 8 1.584 111.106 -178.60 0.8930
15 O6A O2 E 14 12 10 1.252 118.262 -140.20 -0.8180
16 O6B O2 E 14 12 10 1.258 117.333 41.17 -0.8180
17 O5 Os E 12 10 8 1.502 108.303 51.87 -0.4130
18 O4 Oh S 10 8 6 1.449 108.610 -171.54 -0.7330
19 H4O Ho E 18 10 8 0.987 105.292 166.54 0.4290
20 O3 Os E 8 6 4 1.459 111.009 168.82 -0.4920
21 O2 Os M 6 4 3 1.458 107.250 21.17 -0.5120
LOOP
O5 C1
DONE
STOP