0YS INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.6430 25 H2N H E 24 6 4 1.009 115.982 -30.97 0.2360 26 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 27 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 28 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 29 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 LOOP O5 C1 DONE 0Ys INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.7790 25 H2N H E 24 22 18 1.006 117.592 78.54 0.3000 26 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 27 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 28 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 29 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 LOOP C2 C1 DONE 4YS INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.6430 9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360 10 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 11 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 12 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 13 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 14 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650 15 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000 16 O3 Oh S 16 6 4 1.457 109.988 -171.07 -0.6300 17 H3O Ho E 18 16 6 0.977 109.893 -12.80 0.4130 18 C4 Cg M 16 6 4 1.546 112.211 -50.71 0.3220 19 H4 H1 E 20 16 6 1.091 108.977 -70.26 0.0000 20 C5 Cg 3 20 16 6 1.544 112.523 51.74 0.2460 21 H5 H1 E 22 20 16 1.092 108.088 68.11 0.0000 22 C6 Cg 3 22 20 16 1.544 112.817 -173.43 0.3280 23 H62 H1 E 24 22 20 1.090 110.073 -62.63 0.0000 24 H61 H1 E 24 22 20 1.090 109.603 179.01 0.0000 25 O6 Oh S 24 22 20 1.444 111.701 58.39 -0.6880 26 H6O Ho E 27 24 22 0.960 109.460 179.56 0.4210 27 O5 Os E 22 20 16 1.500 111.305 -49.14 -0.5680 28 O4 Os M 20 16 6 1.448 107.905 171.55 -0.4780 LOOP O5 C1 DONE 4Ys INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.7790 23 H2N H E 22 20 16 1.006 117.592 78.54 0.3000 24 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 25 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 26 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 27 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 28 O4 Os M 14 7 6 1.444 108.611 -175.00 -0.4740 LOOP C2 C1 DONE 0yS INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.6430 25 H2N H E 24 22 18 1.009 115.982 -94.71 0.2360 26 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 27 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 28 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 29 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 LOOP C2 C1 DONE 0ys INT 0 CORRECT OMIT DU BEG 0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.7790 25 H2N H E 24 6 4 1.006 117.592 43.53 0.3000 26 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 27 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 28 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 29 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 LOOP O5 C1 DONE 4yS INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.6430 23 H2N H E 22 20 16 1.009 115.982 -94.71 0.2360 24 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 25 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 26 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 27 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 28 O4 Os M 14 7 6 1.448 108.615 168.54 -0.4780 LOOP C2 C1 DONE 4ys INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.7790 9 H2N H E 8 6 4 1.006 117.592 43.53 0.3000 10 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 11 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 12 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 13 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 14 C3 Cg M 6 4 3 1.555 109.532 140.96 0.1800 15 H3 H1 E 16 6 4 1.092 108.635 -66.15 0.0000 16 O3 Oh S 16 6 4 1.462 112.173 174.68 -0.6810 17 H3O Ho E 18 16 6 0.964 110.728 66.33 0.4230 18 C4 Cg M 16 6 4 1.547 110.847 53.41 0.3020 19 H4 H1 E 20 16 6 1.092 109.529 65.76 0.0000 20 C5 Cg 3 20 16 6 1.542 111.743 -55.82 0.2080 21 H5 H1 E 22 20 16 1.092 109.079 -62.53 0.0000 22 C6 Cg 3 22 20 16 1.540 112.556 176.83 0.2890 23 H61 H1 E 24 22 20 1.090 110.526 60.82 0.0000 24 H62 H1 E 24 22 20 1.091 110.298 -59.01 0.0000 25 O6 Oh S 24 22 20 1.439 109.712 -179.18 -0.6890 26 H6O Ho E 27 24 22 0.961 108.379 54.80 0.4240 27 O5 Os E 22 20 16 1.493 108.679 55.34 -0.4330 28 O4 Os M 20 16 6 1.444 108.505 -175.54 -0.4740 LOOP O5 C1 DONE 3YS INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.6430 9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360 10 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 11 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 12 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 13 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 14 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650 15 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000 16 C4 Cg 3 16 6 4 1.546 112.211 -50.71 0.3220 17 H4 H1 E 18 16 6 1.091 108.977 -70.26 0.0000 18 C5 Cg 3 18 16 6 1.544 112.523 51.74 0.2460 19 H5 H1 E 20 18 16 1.092 108.088 68.11 0.0000 20 C6 Cg 3 20 18 16 1.544 112.817 -173.43 0.3280 21 H62 H1 E 22 20 18 1.090 110.073 -62.63 0.0000 22 H61 H1 E 22 20 18 1.090 109.603 179.01 0.0000 23 O6 Oh S 22 20 18 1.444 111.701 58.39 -0.6880 24 H6O Ho E 25 22 20 0.960 109.460 179.56 0.4210 25 O5 Os E 20 18 16 1.500 111.305 -49.14 -0.5680 26 O4 Oh S 18 16 6 1.448 107.905 171.55 -0.7330 27 H4O Ho E 28 18 16 0.967 106.060 48.68 0.4490 28 O3 Os M 16 6 4 1.457 109.988 -171.07 -0.4110 LOOP O5 C1 DONE 3Ys INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.7790 23 H2N H E 22 20 18 1.006 117.592 78.54 0.3000 24 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 25 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 26 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 27 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 28 O3 Os M 18 14 7 1.462 108.350 179.31 -0.4520 LOOP C2 C1 DONE 3yS INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.6430 23 H2N H E 22 20 18 1.009 115.982 -94.71 0.2360 24 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 25 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 26 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 27 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 28 O3 Os M 18 14 7 1.457 108.091 -173.19 -0.4110 LOOP C2 C1 DONE 3ys INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.7790 9 H2N H E 8 6 4 1.006 117.592 43.53 0.3000 10 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 11 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 12 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 13 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 14 C3 Cg M 6 4 3 1.555 109.532 140.96 0.1800 15 H3 H1 E 16 6 4 1.092 108.635 -66.15 0.0000 16 C4 Cg 3 16 6 4 1.547 110.847 53.41 0.3020 17 H4 H1 E 18 16 6 1.092 109.529 65.76 0.0000 18 C5 Cg 3 18 16 6 1.542 111.743 -55.82 0.2080 19 H5 H1 E 20 18 16 1.092 109.079 -62.53 0.0000 20 C6 Cg 3 20 18 16 1.540 112.556 176.83 0.2890 21 H61 H1 E 22 20 18 1.090 110.526 60.82 0.0000 22 H62 H1 E 22 20 18 1.091 110.298 -59.01 0.0000 23 O6 Oh S 22 20 18 1.439 109.712 -179.18 -0.6890 24 H6O Ho E 25 22 20 0.961 108.379 54.80 0.4240 25 O5 Os E 20 18 16 1.493 108.679 55.34 -0.4330 26 O4 Oh S 18 16 6 1.444 108.505 -175.54 -0.7160 27 H4O Ho E 28 18 16 0.967 106.789 -52.54 0.4360 28 O3 Os M 16 6 4 1.462 112.173 174.68 -0.4520 LOOP O5 C1 DONE 6YS INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.6430 9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360 10 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 11 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 12 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 13 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 14 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650 15 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000 16 O3 Oh S 16 6 4 1.457 109.988 -171.07 -0.6300 17 H3O Ho E 18 16 6 0.977 109.893 -12.80 0.4130 18 C4 Cg M 16 6 4 1.546 112.211 -50.71 0.3220 19 H4 H1 E 20 16 6 1.091 108.977 -70.26 0.0000 20 O4 Oh S 20 16 6 1.448 107.905 171.55 -0.7330 21 H4O Ho E 22 20 16 0.967 106.060 48.68 0.4490 22 C5 Cg M 20 16 6 1.544 112.523 51.74 0.2460 23 H5 H1 E 24 20 16 1.092 108.088 68.11 0.0000 24 O5 Os E 24 20 16 1.500 111.305 -49.14 -0.5680 25 C6 Cg M 24 20 16 1.544 112.817 -173.43 0.3280 26 H62 H1 E 27 24 20 1.090 110.073 -62.63 0.0000 27 H61 H1 E 27 24 20 1.090 109.603 179.01 0.0000 28 O6 Os M 27 24 20 1.444 111.701 58.39 -0.4610 LOOP O5 C1 DONE 6Ys INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.7790 20 H2N H E 19 17 13 1.006 117.592 78.54 0.3000 21 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 22 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 23 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 24 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 25 C6 Cg M 7 6 4 1.540 109.520 -179.10 0.2890 26 H62 H1 E 27 7 6 1.091 110.298 -62.00 0.0000 27 H61 H1 E 27 7 6 1.090 110.526 178.17 0.0000 28 O6 Os M 27 7 6 1.439 109.712 58.17 -0.4590 LOOP C2 C1 DONE QYS 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 -0.6430 9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360 10 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 11 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 12 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 13 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 14 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650 15 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000 16 C4 Cg 3 16 6 4 1.546 112.211 -50.71 0.3220 17 H4 H1 E 18 16 6 1.091 108.977 -70.26 0.0000 18 C5 Cg 3 18 16 6 1.544 112.523 51.74 0.2460 19 H5 H1 E 20 18 16 1.092 108.088 68.11 0.0000 20 C6 Cg 3 20 18 16 1.544 112.817 -173.43 0.3280 21 H62 H1 E 22 20 18 1.090 110.073 -62.63 0.0000 22 H61 H1 E 22 20 18 1.090 109.603 179.01 0.0000 23 O6 Os E 22 20 18 1.444 111.701 58.39 -0.4610 24 O5 Os E 20 18 16 1.500 111.305 -49.14 -0.5680 25 O4 Os E 18 16 6 1.448 107.905 171.55 -0.4780 26 O3 Os M 16 6 4 1.457 109.988 -171.07 -0.4110 LOOP O5 C1 DONE QYs 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 -0.7790 21 H2N H E 20 18 16 1.006 117.592 78.54 0.3000 22 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 23 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 24 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 25 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 26 O3 Os M 16 13 7 1.462 108.350 179.31 -0.4520 LOOP C2 C1 DONE UYS INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.6430 9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360 10 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 11 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 12 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 13 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 14 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650 15 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000 16 O3 Oh S 16 6 4 1.457 109.988 -171.07 -0.6300 17 H3O Ho E 18 16 6 0.977 109.893 -12.80 0.4130 18 C4 Cg M 16 6 4 1.546 112.211 -50.71 0.3220 19 H4 H1 E 20 16 6 1.091 108.977 -70.26 0.0000 20 C5 Cg 3 20 16 6 1.544 112.523 51.74 0.2460 21 H5 H1 E 22 20 16 1.092 108.088 68.11 0.0000 22 C6 Cg 3 22 20 16 1.544 112.817 -173.43 0.3280 23 H62 H1 E 24 22 20 1.090 110.073 -62.63 0.0000 24 H61 H1 E 24 22 20 1.090 109.603 179.01 0.0000 25 O6 Os E 24 22 20 1.444 111.701 58.39 -0.4610 26 O5 Os E 22 20 16 1.500 111.305 -49.14 -0.5680 27 O4 Os M 20 16 6 1.448 107.905 171.55 -0.4780 LOOP O5 C1 DONE UYs INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.7790 22 H2N H E 21 19 15 1.006 117.592 78.54 0.3000 23 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 24 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 25 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 26 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 27 O4 Os M 13 7 6 1.444 108.611 -175.00 -0.4740 LOOP C2 C1 DONE VYS INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.6430 9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360 10 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 11 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 12 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 13 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 14 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650 15 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000 16 C4 Cg 3 16 6 4 1.546 112.211 -50.71 0.3220 17 H4 H1 E 18 16 6 1.091 108.977 -70.26 0.0000 18 C5 Cg 3 18 16 6 1.544 112.523 51.74 0.2460 19 H5 H1 E 20 18 16 1.092 108.088 68.11 0.0000 20 C6 Cg 3 20 18 16 1.544 112.817 -173.43 0.3280 21 H62 H1 E 22 20 18 1.090 110.073 -62.63 0.0000 22 H61 H1 E 22 20 18 1.090 109.603 179.01 0.0000 23 O6 Os E 22 20 18 1.444 111.701 58.39 -0.4610 24 O5 Os E 20 18 16 1.500 111.305 -49.14 -0.5680 25 O4 Oh S 18 16 6 1.448 107.905 171.55 -0.7330 26 H4O Ho E 27 18 16 0.967 106.060 48.68 0.4490 27 O3 Os M 16 6 4 1.457 109.988 -171.07 -0.4110 LOOP O5 C1 DONE VYs INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.7790 22 H2N H E 21 19 17 1.006 117.592 78.54 0.3000 23 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 24 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 25 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 26 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 27 O3 Os M 17 13 7 1.462 108.350 179.31 -0.4520 LOOP C2 C1 DONE WYS INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.6430 9 H2N H E 8 6 4 1.009 115.982 -30.97 0.2360 10 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 11 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 12 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 13 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 14 C3 Cg M 6 4 3 1.547 112.034 -31.73 0.1650 15 H3 H1 E 16 6 4 1.092 108.717 70.25 0.0000 16 C4 Cg 3 16 6 4 1.546 112.211 -50.71 0.3220 17 H4 H1 E 18 16 6 1.091 108.977 -70.26 0.0000 18 C5 Cg 3 18 16 6 1.544 112.523 51.74 0.2460 19 H5 H1 E 20 18 16 1.092 108.088 68.11 0.0000 20 C6 Cg 3 20 18 16 1.544 112.817 -173.43 0.3280 21 H62 H1 E 22 20 18 1.090 110.073 -62.63 0.0000 22 H61 H1 E 22 20 18 1.090 109.603 179.01 0.0000 23 O6 Oh S 22 20 18 1.444 111.701 58.39 -0.6880 24 H6O Ho E 25 22 20 0.960 109.460 179.56 0.4210 25 O5 Os E 20 18 16 1.500 111.305 -49.14 -0.5680 26 O4 Os E 18 16 6 1.448 107.905 171.55 -0.4780 27 O3 Os M 16 6 4 1.457 109.988 -171.07 -0.4110 LOOP O5 C1 DONE WYs INT 0 CORRECT OMIT DU BEG -0.1940 1 DUMM DU M 0 -1 -2 0.000 0.000 0.00 0.0000 2 DUMM DU M 1 0 -1 0.500 0.000 0.00 0.0000 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 -0.7790 22 H2N H E 21 19 17 1.006 117.592 78.54 0.3000 23 S1 S 3 3 2 1 1.884 119.491 -167.81 1.2450 24 O1S O2 E 4 3 2 1.446 106.410 -102.07 -0.6940 25 O2S O2 E 4 3 2 1.437 128.086 115.25 -0.6940 26 O3S O2 E 4 3 2 1.446 70.631 7.86 -0.6940 27 O3 Os M 17 14 7 1.462 108.350 179.31 -0.4520 LOOP C2 C1 DONE STOP