# Bonding information for index 374 -- 0MA_15@O2 0MA_13@H3O 0MA_13@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 ## Starting information for simulation # 3 ## Starting information for simulation # 4 374 4 2985 1 2.69 2.9006 11.947 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 374 9 654 1 2.78 2.5417 12.454 374 9 655 1 2.70 2.6996 12.599 374 9 657 1 2.89 2.0764 13.040 374 9 658 1 2.97 2.3512 13.476 374 9 659 1 2.85 2.5083 13.548 374 9 662 1 2.86 2.6643 13.054 374 9 1466 1 2.90 1.8665 11.230 374 9 1484 1 2.88 2.4581 11.713 374 9 3416 1 2.84 2.1815 10.777 374 9 3418 1 2.81 2.4453 10.819 374 9 3479 1 2.89 2.0000 10.759 374 9 3484 1 2.88 2.2372 10.504 374 9 3485 1 2.69 2.7862 10.528 374 9 3486 1 2.83 2.3330 10.754 374 9 3613 1 2.98 1.9980 12.402 374 9 4546 1 2.74 2.6163 11.312 374 9 4547 1 2.83 2.6960 11.133 374 9 4555 1 2.87 2.4841 10.157 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 374 13 739 1 2.79 2.8228 11.111 374 13 751 1 2.79 2.4786 11.394 374 13 752 1 2.83 2.3988 11.141 374 13 790 1 2.67 2.9230 10.659 374 13 793 1 2.92 2.7927 10.338 374 13 932 1 2.93 1.7639 10.591 374 13 977 1 2.93 2.6740 12.301 374 13 982 1 2.87 2.9175 11.306 374 13 983 1 2.71 2.7079 11.085 374 13 1096 1 2.95 1.9529 10.707 374 13 1116 1 2.81 2.8956 10.843 374 13 1117 1 2.96 2.7962 10.947 374 13 1124 1 2.78 2.5364 12.083 374 13 1130 1 2.76 2.6215 11.623 374 13 1153 1 2.94 2.3568 11.323 374 13 1155 1 2.70 3.1187 11.580 374 13 1198 1 2.93 2.6659 11.314 374 13 1199 1 2.93 2.4783 11.100 374 13 1404 1 2.95 2.3888 11.365 374 13 1407 1 2.85 2.6422 11.443 374 13 2097 1 2.79 2.6777 10.401 374 13 2787 1 2.82 2.3754 11.819 374 13 2789 1 2.86 2.3546 11.431 374 13 2792 1 2.73 2.5162 11.615 374 13 2793 1 2.81 3.0263 11.841 374 13 2795 1 2.82 2.6091 12.060 374 13 2801 1 2.56 2.8195 12.008 374 13 3343 1 2.83 2.6217 11.613 374 13 3344 1 2.79 2.4107 11.833 374 13 3345 1 2.83 2.8362 12.029 374 13 3346 1 2.80 2.7825 12.730 374 13 3347 1 2.76 2.6726 12.030 374 13 3523 1 2.90 2.3927 12.690 374 13 3526 1 2.68 2.8105 12.068 374 13 3527 1 2.67 2.8916 12.075 374 13 3528 1 2.68 2.8853 11.914 374 13 3529 1 2.82 2.8173 11.886 374 13 3530 1 2.99 2.6275 12.143 374 13 3531 1 2.85 2.5266 12.043 374 13 3532 1 2.87 2.6789 11.641 374 13 3533 1 2.96 2.6115 11.784 374 13 3535 1 2.74 2.7723 11.289 374 13 3536 1 2.77 2.5385 11.260 374 13 3617 1 2.66 3.0236 11.768 374 13 3759 1 2.95 2.2048 11.770 374 13 3765 1 2.79 2.5351 12.250 374 13 4178 1 2.83 2.3468 12.460 374 13 4217 1 2.80 2.6893 11.877 374 13 4218 1 2.96 2.7150 11.279 374 13 4219 1 2.76 2.6481 11.910 374 13 4531 1 2.96 2.5543 11.986 374 13 4727 1 2.72 2.9652 12.587 374 13 4739 1 2.98 1.7806 11.621 374 13 4741 1 2.97 1.9996 11.739 374 13 5188 1 2.75 2.5559 11.008 374 13 5189 1 2.78 2.4262 11.226 374 13 5190 1 2.74 2.8404 11.568 374 13 5242 1 2.85 2.8003 12.193 374 13 5585 1 2.98 2.2775 9.694 374 13 5603 1 2.98 2.6131 10.518 374 13 5604 1 2.92 2.5731 10.063 374 13 5700 1 2.73 2.3078 10.949 374 13 5702 1 2.95 2.2676 11.650 374 13 5703 1 2.77 2.5811 11.634 374 13 5704 1 2.71 2.3465 11.434 374 13 5705 1 2.94 2.4050 11.665 374 13 5706 1 2.65 2.3586 12.132 374 13 5707 1 2.92 2.8360 11.544 374 13 5726 1 2.66 2.3843 10.654 374 13 5727 1 2.66 2.6652 10.707 374 13 5789 1 2.81 2.7705 11.563 374 13 5790 1 2.99 2.7779 11.278 374 13 5791 1 2.92 2.6468 12.677 374 13 7742 1 2.85 2.7498 11.238 374 13 7743 1 2.73 2.5444 11.104 ## Starting information for simulation # 14 374 14 23 1 2.85 2.7394 11.466 374 14 24 1 2.73 2.7856 11.301 374 14 35 1 2.77 2.1115 12.118 374 14 38 1 2.83 3.0706 11.805 374 14 39 1 2.74 3.0198 12.364 374 14 40 1 2.76 2.3476 12.455 374 14 42 1 2.93 2.8828 11.862 374 14 45 1 2.63 2.8307 11.462 374 14 46 1 2.68 2.9598 11.437 374 14 56 1 2.87 2.3752 11.688 374 14 58 1 2.91 2.8731 11.974 374 14 62 1 2.72 2.8313 11.556 374 14 63 1 2.89 2.7216 11.653 374 14 64 1 2.91 2.9909 11.394 374 14 74 1 2.92 2.9690 12.275 374 14 118 1 2.75 2.6454 11.413 374 14 119 1 2.93 2.6211 11.443 374 14 121 1 2.91 2.9086 12.047 374 14 122 1 2.70 2.8552 12.342 374 14 123 1 2.89 1.9977 12.008 374 14 125 1 2.71 2.9631 12.063 374 14 126 1 2.75 2.8047 12.254 374 14 129 1 2.79 2.7381 11.887 374 14 130 1 2.85 2.5897 11.747 374 14 131 1 2.89 2.9027 11.588 374 14 132 1 2.67 2.9279 11.952 374 14 170 1 2.89 2.5764 10.720 374 14 178 1 2.83 2.4264 11.796 374 14 179 1 2.72 2.6113 12.323 374 14 180 1 2.90 2.8602 11.953 374 14 181 1 2.98 2.7604 11.823 374 14 187 1 2.99 2.6584 12.015 374 14 197 1 2.78 2.6910 10.497 374 14 198 1 2.86 2.7645 11.064 374 14 200 1 2.69 2.8892 11.097 374 14 210 1 2.87 2.3444 11.685 374 14 214 1 2.85 3.0061 12.142 374 14 215 1 2.98 2.4375 12.196 374 14 219 1 2.58 2.5976 11.915 374 14 224 1 2.75 2.7278 12.028 374 14 225 1 2.74 2.6858 12.093 374 14 226 1 2.67 2.7635 12.321 374 14 248 1 2.78 2.6151 12.125 374 14 249 1 2.88 2.9876 11.934 374 14 252 1 2.97 2.7887 12.079 374 14 253 1 2.68 2.6803 12.302 374 14 256 1 2.80 2.6223 12.075 374 14 257 1 2.81 2.9216 12.302 374 14 258 1 2.65 3.0324 11.564 374 14 265 1 2.74 2.8621 11.423 374 14 266 1 2.75 3.0092 11.812 374 14 284 1 2.84 2.7047 11.981 374 14 285 1 2.88 2.3116 12.205 374 14 290 1 2.85 2.8961 11.776 374 14 292 1 2.65 2.9041 11.327 374 14 340 1 2.75 2.8019 10.937 374 14 341 1 2.86 2.8290 10.080 374 14 342 1 2.80 3.0572 11.505 374 14 343 1 2.65 3.0926 11.259 374 14 524 1 2.58 2.7522 11.341 374 14 525 1 2.85 2.6199 11.737 374 14 531 1 2.81 2.8591 10.895 374 14 533 1 2.74 2.5476 10.928 374 14 534 1 2.64 3.0421 10.824 374 14 535 1 2.75 2.6120 10.590 374 14 545 1 2.95 1.9665 10.709 374 14 546 1 2.92 2.6415 11.009 374 14 556 1 2.78 2.8978 10.741 374 14 557 1 2.82 2.8940 10.845 374 14 558 1 2.78 2.5460 11.194 374 14 559 1 2.87 2.4033 10.689 374 14 561 1 2.87 2.9467 10.845 374 14 562 1 2.65 3.0374 11.195 374 14 569 1 2.93 2.8906 11.485 374 14 571 1 2.61 2.8914 11.621 374 14 575 1 2.66 2.7052 11.740 374 14 576 1 2.78 2.7178 11.632 374 14 592 1 2.71 2.9959 11.539 374 14 594 1 2.94 2.7617 11.726 374 14 597 1 2.90 2.7382 11.655 374 14 608 1 2.76 2.9695 11.455 374 14 609 1 2.82 2.5808 10.721 374 14 610 1 3.00 2.9394 10.512 374 14 611 1 2.95 2.9755 10.674 374 14 612 1 2.97 2.4580 11.038 374 14 613 1 2.71 2.7127 11.361 374 14 616 1 2.87 2.8729 11.857 374 14 617 1 2.92 2.8367 11.891 374 14 618 1 3.00 2.6784 11.593 374 14 619 1 2.90 2.8654 12.078 374 14 620 1 2.88 3.0391 12.032 374 14 628 1 2.87 2.9272 11.568 374 14 705 1 2.84 2.8909 10.293 374 14 706 1 2.73 2.7874 11.365 374 14 709 1 2.82 2.6500 11.881 374 14 720 1 2.69 2.7180 11.475 374 14 725 1 2.90 2.6568 11.452 374 14 726 1 2.84 2.3393 11.107 374 14 727 1 2.77 2.2759 11.275 374 14 728 1 2.58 2.9270 10.969 374 14 729 1 2.86 3.0630 11.819 374 14 730 1 2.74 2.8932 11.328 374 14 731 1 2.85 2.9274 10.594 374 14 733 1 2.85 2.9707 11.050 374 14 734 1 2.92 3.0348 11.013 374 14 735 1 2.95 2.7255 10.248 374 14 736 1 2.99 3.0108 11.149 374 14 737 1 2.83 2.8048 11.316 374 14 739 1 2.95 2.9528 10.749 374 14 740 1 2.64 2.8522 11.203 374 14 743 1 2.86 2.6877 11.072 374 14 746 1 2.91 2.4384 10.448 374 14 748 1 2.75 2.8386 11.073 374 14 752 1 2.63 2.6512 10.438 374 14 763 1 2.91 2.8517 10.640 374 14 770 1 2.76 3.0116 10.311 374 14 784 1 2.77 2.9590 9.795 374 14 785 1 2.90 2.6923 10.031 374 14 791 1 2.69 2.6852 11.212 374 14 795 1 2.73 3.0546 10.561 374 14 796 1 2.94 2.7505 10.355 374 14 797 1 2.73 2.8555 10.246 374 14 808 1 2.80 3.0297 10.289 374 14 814 1 2.62 2.9418 10.360 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 374 17 630 1 2.69 2.6733 13.625 374 17 792 1 2.92 2.3924 12.661 374 17 1946 1 2.69 2.9053 11.508 374 17 1950 1 2.94 2.8156 11.546 374 17 5737 1 2.62 3.0286 10.627 ## Starting information for simulation # 18 ## Starting information for simulation # 19 374 19 4365 1 2.99 2.7835 12.665 374 19 4543 1 2.98 2.1883 10.738 374 19 4559 1 2.92 2.7651 13.077 374 19 4560 1 2.79 2.7577 12.941 374 19 4563 1 2.78 2.7654 12.462 374 19 9376 1 2.67 2.7254 11.377 374 19 9377 1 2.76 2.9996 11.530 374 19 9378 1 2.89 2.8457 11.454 374 19 9379 1 2.99 2.7838 11.559 374 19 9381 1 2.78 2.6045 12.242 374 19 9472 1 2.83 2.4157 11.174 374 19 9490 1 2.68 2.8339 11.800 374 19 9491 1 2.96 1.8669 11.609 ## Starting information for simulation # 20 374 20 2574 1 2.70 2.5661 11.461 374 20 2576 1 2.99 2.3348 11.563 374 20 3218 1 2.85 2.6445 11.630 374 20 8135 1 2.86 2.8993 5.478 374 20 8392 1 2.71 2.6110 6.195 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 374 24 1467 1 2.94 1.8830 10.309 374 24 1474 1 2.89 2.1465 10.531 374 24 1524 1 2.86 2.5642 10.732 374 24 1559 1 2.76 2.1848 11.615 374 24 2338 1 2.74 2.2163 10.317 374 24 3715 1 2.94 1.7977 10.643 ## Starting information for simulation # 25 374 25 798 1 2.98 2.3448 9.169 374 25 838 1 2.96 2.7845 10.228 374 25 839 1 2.65 2.2455 10.239 374 25 1028 1 2.73 2.5539 10.410 374 25 1042 1 2.90 2.5317 11.531 374 25 1046 1 2.98 2.4767 10.869 374 25 1168 1 2.98 2.3724 9.850 374 25 1173 1 2.77 2.4028 9.135 374 25 1368 1 2.91 2.4630 11.188 374 25 1371 1 2.98 2.7139 10.536 374 25 1443 1 2.69 2.6607 9.010 374 25 1444 1 2.95 2.6130 9.057 374 25 1445 1 2.88 2.7601 10.135 374 25 1459 1 2.82 2.4678 9.423 374 25 1537 1 2.97 3.0885 11.212 374 25 2070 1 2.86 2.6687 11.184 ## Starting information for simulation # 26 ## Starting information for simulation # 27 374 27 4364 1 2.70 2.6305 11.820 374 27 4371 1 2.94 1.8389 11.997 ## Starting information for simulation # 28 ## Starting information for simulation # 29 374 29 2937 1 2.78 2.9813 12.291 374 29 2953 1 2.62 2.5807 13.152 374 29 3066 1 2.99 2.5544 13.161 374 29 3068 1 2.79 2.7312 13.117 374 29 3070 1 2.71 2.8643 13.747 374 29 3071 1 2.68 2.7999 12.831 374 29 3073 1 2.81 2.8752 13.163 374 29 3074 1 2.97 2.9880 12.790 374 29 3219 1 3.00 2.5605 13.486 374 29 3405 1 2.96 2.4964 12.217 374 29 3451 1 2.87 2.6866 12.938 374 29 3463 1 2.81 2.6561 12.524 374 29 3465 1 2.87 2.8206 12.576 374 29 3466 1 2.74 2.9081 12.731 374 29 3467 1 2.91 2.7423 12.331 374 29 3469 1 2.87 2.6014 12.796 374 29 3471 1 2.83 2.3852 12.127 374 29 3472 1 2.74 2.9364 12.433 374 29 3473 1 2.90 3.0285 12.269 374 29 3474 1 2.73 2.9008 12.311 374 29 4240 1 2.79 2.7274 13.269 374 29 4241 1 2.95 2.7019 13.466 374 29 4242 1 2.84 2.9178 13.396 374 29 4247 1 2.81 2.1241 14.081 374 29 4398 1 2.63 3.0928 13.753 374 29 4401 1 2.61 3.0150 13.518 374 29 4402 1 2.77 2.9047 13.281 374 29 4404 1 2.93 2.5611 12.898 374 29 4408 1 2.84 2.6474 13.376 374 29 4410 1 2.81 2.6537 13.555 374 29 4411 1 2.62 2.9662 13.275 374 29 4539 1 2.94 2.9274 13.056 374 29 4540 1 2.89 2.8118 13.327 374 29 4541 1 2.90 2.8297 12.971 374 29 4542 1 2.86 2.6614 13.446 374 29 4543 1 2.85 2.9408 13.170 374 29 4544 1 2.73 2.7331 13.359 374 29 4545 1 2.84 2.6704 12.631 374 29 4546 1 2.65 2.6043 13.261 374 29 4547 1 2.64 2.8656 12.834 374 29 4629 1 2.88 2.6008 12.780 374 29 4650 1 2.73 2.5659 12.925 374 29 8122 1 2.97 2.0859 11.997 ## Starting information for simulation # 30 374 30 649 1 2.86 2.3569 11.927 374 30 650 1 3.00 2.5868 11.833 374 30 1034 1 2.84 2.3762 11.131 374 30 1037 1 2.69 2.4296 11.971 374 30 1053 1 2.95 2.5629 12.395 374 30 1056 1 2.92 2.3820 12.272 374 30 1058 1 2.91 2.6039 12.707 374 30 1059 1 2.60 2.3653 12.660 374 30 1062 1 2.98 2.5593 12.401 374 30 1064 1 2.92 2.6912 12.164 374 30 1100 1 2.71 1.8771 12.533 374 30 2205 1 2.76 2.3714 12.723 374 30 2206 1 2.84 2.6785 12.709 374 30 2208 1 2.80 2.6346 12.116 374 30 2209 1 2.98 2.5706 12.836 374 30 2870 1 2.71 2.7211 12.728 374 30 4512 1 2.88 2.6625 10.949 374 30 4513 1 2.76 2.3782 11.136 374 30 4758 1 2.95 2.8800 10.165 374 30 4775 1 2.92 2.4599 10.718 374 30 4778 1 2.92 2.1098 10.519 374 30 4830 1 2.99 1.9031 11.064 374 30 4868 1 2.67 2.7605 10.065 374 30 4870 1 2.88 2.4825 10.548 374 30 4872 1 2.99 2.6275 10.284 374 30 4885 1 2.80 2.8144 9.800 374 30 4886 1 2.57 2.6230 10.391 ## Starting information for simulation # 31 ## Starting information for simulation # 32 374 32 6075 1 2.85 2.7668 11.222 374 32 6080 1 2.90 2.8526 11.183 374 32 6094 1 2.84 2.6739 11.636 374 32 6095 1 2.86 2.5376 11.397 374 32 6096 1 2.81 2.7614 11.573 374 32 6890 1 2.89 2.5877 12.274 374 32 8837 1 2.63 2.9250 11.993 374 32 8950 1 2.96 2.1073 10.550 374 32 9097 1 2.93 1.7991 11.821 ## Starting information for simulation # 33 ## Starting information for simulation # 34 374 34 3 1 2.92 2.1637 12.200 374 34 79 1 2.96 2.3334 12.044 374 34 80 1 2.83 2.5436 12.221 374 34 85 1 2.95 2.5869 12.443 374 34 104 1 2.85 1.8386 12.067 374 34 105 1 2.69 2.8333 11.566 374 34 106 1 2.76 2.9920 11.468 374 34 107 1 2.65 2.9415 12.367 374 34 122 1 2.74 2.7412 12.170 374 34 123 1 2.65 2.6856 13.041 374 34 124 1 2.70 2.8042 12.037 374 34 125 1 2.61 2.8342 11.997 374 34 163 1 2.89 2.5947 12.227 374 34 168 1 2.64 2.8492 13.287 374 34 184 1 2.70 2.9106 12.491 374 34 185 1 2.68 2.9640 12.392 374 34 186 1 2.64 2.9304 12.528 374 34 187 1 2.75 2.9940 12.402 374 34 189 1 2.58 3.0479 12.737 374 34 190 1 2.89 2.9317 12.653 374 34 191 1 2.99 2.7920 12.598 374 34 192 1 2.73 2.9107 12.798 374 34 214 1 2.85 2.8834 12.186 374 34 218 1 2.94 2.7050 12.101 374 34 219 1 2.80 2.9038 12.527 374 34 220 1 2.85 2.0567 12.871 374 34 226 1 2.76 2.7004 12.695 374 34 231 1 2.67 2.8847 12.541 374 34 397 1 2.81 2.8983 13.209 374 34 398 1 2.81 2.9212 13.682 374 34 402 1 2.73 2.6737 13.187 374 34 403 1 2.62 2.5369 12.982 374 34 404 1 2.93 2.7585 12.824 374 34 619 1 2.91 2.3177 14.330 374 34 1189 1 2.77 2.3715 12.304 374 34 1331 1 2.85 2.9989 13.156 374 34 1385 1 2.87 2.7299 12.958 374 34 1410 1 2.76 2.8815 13.874 374 34 1415 1 2.73 3.0470 13.204 374 34 1416 1 2.82 2.7894 12.943 374 34 3890 1 2.79 2.7914 14.303 374 34 3891 1 2.77 2.7183 14.225 374 34 3892 1 2.68 2.4852 14.323 374 34 3937 1 2.77 2.6938 14.323 374 34 4191 1 2.80 2.9488 12.997 374 34 4730 1 2.80 2.9589 12.844 374 34 4913 1 2.98 2.5029 13.378 ## Starting information for simulation # 35 ## Starting information for simulation # 36