# Bonding information for index 122 -- 0VA_13@O5 0VA_14@H3O 0VA_14@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 122 1 5265 1 2.99 2.8144 11.595 ## Starting information for simulation # 2 122 2 3116 1 2.75 2.7998 11.367 ## Starting information for simulation # 3 122 3 5228 1 2.94 2.7848 11.309 ## Starting information for simulation # 4 122 4 918 1 2.93 2.6163 11.843 122 4 1325 1 2.98 2.5215 11.526 122 4 1801 1 2.88 2.9186 12.793 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 122 7 1272 1 2.92 2.6102 12.079 122 7 3298 1 2.92 2.3396 11.606 122 7 3314 1 2.63 2.6805 11.408 122 7 3315 1 2.98 2.7194 11.322 122 7 3324 1 2.70 2.9054 11.536 122 7 3329 1 2.97 2.9794 11.014 122 7 3334 1 3.00 2.0049 11.744 122 7 3335 1 2.93 2.5072 11.677 122 7 3351 1 2.72 2.9262 11.153 122 7 3357 1 2.78 2.9217 10.950 122 7 3458 1 2.98 2.4765 11.140 122 7 3461 1 2.99 2.9393 11.606 122 7 3482 1 2.98 2.4120 11.841 122 7 3651 1 2.78 2.7378 11.705 122 7 3654 1 2.97 2.8934 11.244 122 7 3663 1 2.72 2.6897 11.358 122 7 3713 1 2.94 2.7940 12.345 122 7 3718 1 2.67 2.6674 11.434 122 7 3738 1 2.86 2.6668 11.136 122 7 3860 1 2.87 2.6246 12.093 122 7 3866 1 2.87 2.2688 12.708 122 7 4017 1 2.92 2.5321 11.501 122 7 4021 1 2.68 2.6446 11.299 122 7 4022 1 2.79 3.1092 10.978 122 7 4123 1 2.74 2.7332 11.295 122 7 4124 1 2.87 2.5336 11.200 122 7 4229 1 2.81 2.3092 11.600 122 7 4294 1 2.87 1.8046 11.404 122 7 4319 1 2.89 2.6662 11.483 122 7 4328 1 3.00 2.6362 11.437 122 7 4608 1 2.97 2.7329 10.996 122 7 4611 1 2.97 2.0280 11.414 122 7 4612 1 2.79 2.8026 11.211 122 7 4693 1 2.80 2.4949 10.879 122 7 7106 1 2.76 3.0413 12.920 ## Starting information for simulation # 8 122 8 3557 1 2.81 2.5346 10.677 122 8 3709 1 2.80 2.2376 10.817 ## Starting information for simulation # 9 122 9 6344 1 3.00 2.6302 12.894 122 9 9822 1 2.89 2.8259 12.045 122 9 9827 1 2.94 3.0402 12.288 ## Starting information for simulation # 10 122 10 286 1 2.97 2.5306 13.218 122 10 599 1 2.85 2.7891 12.681 122 10 9429 1 2.96 2.4732 11.045 122 10 9454 1 2.98 2.6746 10.625 122 10 9539 1 2.82 2.3295 11.175 122 10 9540 1 2.75 2.8773 11.207 ## Starting information for simulation # 11 ## Starting information for simulation # 12 122 12 1588 1 3.00 2.4900 12.283 122 12 1605 1 2.90 1.9169 10.525 122 12 1608 1 2.82 2.5442 10.869 122 12 1616 1 2.87 2.1794 11.075 122 12 1651 1 2.93 2.5393 10.930 122 12 8697 1 2.89 2.7237 12.509 ## Starting information for simulation # 13 122 13 1466 1 2.92 2.7562 11.043 122 13 1669 1 3.00 2.4000 11.699 122 13 1670 1 2.94 2.2098 11.497 122 13 1686 1 2.68 2.8402 12.629 122 13 1704 1 2.97 2.5777 11.365 122 13 1705 1 2.82 2.5901 11.960 122 13 1707 1 2.84 2.9726 11.785 122 13 2955 1 2.99 2.3018 10.133 122 13 3646 1 2.68 2.6169 10.735 122 13 3670 1 2.99 2.2533 9.611 122 13 3811 1 2.82 3.0069 9.510 122 13 3815 1 2.97 2.2224 9.833 122 13 4426 1 2.97 2.4212 9.246 122 13 4437 1 2.67 2.6618 9.683 122 13 4662 1 2.95 2.4985 9.844 122 13 4678 1 2.94 2.1346 9.207 122 13 5248 1 2.83 2.6809 10.738 122 13 5254 1 2.81 2.5632 9.917 122 13 5261 1 2.97 2.3800 11.034 122 13 5292 1 2.95 2.5632 10.139 122 13 5499 1 3.00 2.2838 9.624 122 13 5535 1 2.91 2.7372 10.531 122 13 5537 1 2.84 2.6842 9.689 122 13 5547 1 2.88 2.3063 10.108 122 13 5548 1 2.95 2.3648 10.020 122 13 5556 1 2.78 2.9310 10.584 ## Starting information for simulation # 14 122 14 5845 1 2.90 2.2281 12.534 122 14 6720 1 2.80 2.5821 12.271 122 14 6721 1 2.95 3.0683 12.361 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 122 17 4008 1 2.95 1.9692 11.480 122 17 4010 1 2.60 2.6135 11.103 122 17 7916 1 2.94 3.0325 10.836 122 17 7984 1 2.88 2.2754 12.399 122 17 9354 1 2.86 2.0252 13.623 ## Starting information for simulation # 18 122 18 2812 1 2.67 3.0641 10.833 122 18 3596 1 2.94 2.7534 11.346 122 18 3610 1 2.85 2.2904 11.545 ## Starting information for simulation # 19 122 19 1903 1 2.90 2.6769 12.279 ## Starting information for simulation # 20 ## Starting information for simulation # 21 122 21 2223 1 2.98 2.2322 12.186 122 21 2419 1 2.98 2.9968 13.145 ## Starting information for simulation # 22 122 22 3012 1 2.82 2.3329 11.181 ## Starting information for simulation # 23 122 23 1349 1 2.96 2.4599 12.033 122 23 6930 1 2.67 2.7436 10.847 122 23 8678 1 2.83 2.6172 12.859 ## Starting information for simulation # 24 122 24 5826 1 2.81 2.9027 12.905 ## Starting information for simulation # 25 122 25 5623 1 2.97 2.8526 11.472 122 25 5703 1 2.82 2.7735 11.694 122 25 5735 1 2.97 2.7031 10.887 ## Starting information for simulation # 26 122 26 235 1 2.81 2.7986 12.752 122 26 1711 1 2.95 2.1002 12.395 122 26 3779 1 2.76 2.1451 11.419 122 26 3788 1 2.99 2.6061 11.908 122 26 3791 1 2.81 2.7715 11.364 122 26 3793 1 2.71 2.9797 11.598 122 26 3795 1 2.99 2.6710 10.883 122 26 5318 1 2.98 2.3250 10.889 122 26 5403 1 2.98 2.5789 12.601 ## Starting information for simulation # 27 122 27 403 1 2.86 2.8378 11.858 122 27 2877 1 2.87 2.7923 12.689 122 27 3451 1 2.94 2.9077 12.450 122 27 4723 1 2.72 2.2401 12.687 122 27 5025 1 2.86 2.8804 12.768 122 27 6410 1 2.99 1.9268 11.627 122 27 6414 1 2.84 2.9942 12.834 122 27 6452 1 2.84 2.4645 10.953 122 27 6453 1 2.96 2.6183 11.245 122 27 6455 1 2.85 2.1951 11.216 122 27 6699 1 2.88 1.8980 11.547 122 27 6702 1 2.83 2.5084 12.762 122 27 8983 1 2.93 2.1128 10.844 ## Starting information for simulation # 28 122 28 2348 1 2.91 2.3558 11.840 122 28 2416 1 2.81 2.7190 11.803 122 28 2463 1 2.77 2.2171 11.864 122 28 2621 1 2.98 2.6785 11.354 122 28 2649 1 2.89 2.5573 11.685 122 28 2723 1 2.95 2.8091 11.214 122 28 2804 1 2.96 2.4969 11.795 122 28 2841 1 2.85 2.9924 12.100 122 28 2883 1 2.90 2.5742 12.476 122 28 2928 1 2.95 2.4301 12.456 122 28 2995 1 2.98 3.0415 12.037 122 28 2996 1 2.93 2.7402 12.534 122 28 3045 1 2.95 1.8923 12.300 122 28 3047 1 2.91 2.1801 12.906 122 28 3054 1 2.88 2.8312 12.582 122 28 3060 1 2.88 2.6025 13.215 122 28 3088 1 2.85 2.9365 11.649 ## Starting information for simulation # 29 122 29 787 1 2.83 2.7538 11.475 122 29 833 1 2.66 2.5159 11.460 122 29 877 1 2.87 2.5870 11.677 122 29 879 1 2.87 2.6959 12.350 122 29 6019 1 2.77 2.8964 13.044 ## Starting information for simulation # 30 122 30 1763 1 2.95 2.7531 13.230 122 30 3996 1 2.89 2.4257 12.642 ## Starting information for simulation # 31 ## Starting information for simulation # 32 122 32 3865 1 2.71 2.0845 11.785 122 32 4565 1 2.99 2.1033 11.307 122 32 4570 1 2.77 2.9529 12.077 122 32 4595 1 2.92 2.2282 10.974 122 32 6153 1 2.63 2.7248 10.963