# Bonding information for index 69 -- 0VA_12@O6 0VA_15@H6O 0VA_15@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 69 1 2970 1 2.93 2.0728 9.872 69 1 3076 1 2.74 2.8269 10.874 69 1 3077 1 2.90 2.6054 10.745 69 1 3166 1 2.76 1.7937 9.844 69 1 3179 1 2.67 1.7963 10.295 69 1 3366 1 2.94 3.0334 10.978 69 1 3514 1 2.95 2.4751 9.833 69 1 3515 1 2.70 2.7564 9.555 69 1 3516 1 2.74 2.6153 9.503 69 1 3517 1 2.76 2.5110 9.382 69 1 3518 1 2.95 2.7265 9.699 69 1 3724 1 2.79 2.7767 10.614 69 1 3728 1 2.79 2.9206 11.085 69 1 3729 1 2.67 2.6018 10.628 ## Starting information for simulation # 2 ## Starting information for simulation # 3 ## Starting information for simulation # 4 69 4 8333 1 2.68 3.0091 11.657 69 4 8334 1 2.81 2.7853 11.670 69 4 8335 1 2.85 2.7497 11.367 ## Starting information for simulation # 5 69 5 324 1 3.00 2.8727 12.433 69 5 871 1 2.92 2.4373 13.283 69 5 872 1 2.91 2.7123 13.287 69 5 873 1 2.89 2.4524 13.156 69 5 874 1 2.83 2.7391 13.021 69 5 876 1 2.81 3.0917 12.894 69 5 877 1 2.94 2.9658 12.862 69 5 878 1 2.92 2.6800 13.058 69 5 905 1 2.94 2.8624 12.780 69 5 906 1 2.75 2.7715 12.784 69 5 907 1 2.89 2.5494 12.992 69 5 908 1 2.82 2.7991 13.162 69 5 909 1 2.63 3.0472 13.281 69 5 1480 1 2.98 1.8630 11.996 ## Starting information for simulation # 6 ## Starting information for simulation # 7 69 7 3585 1 2.69 2.6050 11.371 69 7 3586 1 2.72 2.6453 11.244 69 7 4729 1 2.68 3.0849 11.145 69 7 4735 1 2.79 2.9778 11.174 69 7 4736 1 2.67 2.7200 11.159 69 7 5458 1 2.87 3.0593 12.547 69 7 5460 1 2.63 2.4551 12.691 69 7 5461 1 2.74 2.7893 12.477 69 7 5462 1 2.74 3.0560 12.484 69 7 5468 1 2.61 2.9975 12.147 69 7 7288 1 2.80 2.9337 11.721 ## Starting information for simulation # 8 ## Starting information for simulation # 9 69 9 2709 1 2.88 2.7308 12.175 69 9 2710 1 2.82 2.7012 11.962 69 9 6272 1 2.73 2.9827 13.051 ## Starting information for simulation # 10 69 10 5833 1 2.97 2.5974 11.597 ## Starting information for simulation # 11 69 11 888 1 2.75 3.0413 13.220 69 11 889 1 2.60 2.8934 13.610 69 11 891 1 2.88 2.5854 13.008 ## Starting information for simulation # 12 ## Starting information for simulation # 13 69 13 1657 1 2.71 3.0055 12.141 69 13 2023 1 2.65 2.7979 12.711 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 69 16 5773 1 2.76 2.3515 11.647 69 16 6179 1 2.90 2.9193 11.366 69 16 6452 1 2.83 2.8717 11.398 69 16 6678 1 2.93 2.1473 12.437 69 16 6679 1 2.70 2.5430 12.462 69 16 6682 1 2.86 2.5588 12.537 69 16 6707 1 2.75 2.9133 12.045 69 16 6708 1 2.78 3.0290 12.231 69 16 6709 1 2.89 2.7877 12.484 69 16 6710 1 2.76 3.0301 12.407 69 16 6712 1 2.71 2.4706 12.236 69 16 6713 1 2.81 2.9592 12.262 69 16 6714 1 2.75 2.8778 12.316 69 16 6715 1 2.77 2.9731 12.170 69 16 7854 1 2.77 1.7956 11.358 69 16 9471 1 2.95 1.8415 12.351 ## Starting information for simulation # 17 69 17 2834 1 2.87 1.8534 12.521 69 17 3228 1 2.83 2.7108 11.677 69 17 3229 1 2.78 2.8947 11.875 69 17 3234 1 2.90 2.5673 12.701 69 17 3235 1 2.77 2.4245 12.468 69 17 3471 1 2.82 2.7368 12.714 69 17 3472 1 2.91 2.7866 11.567 69 17 8862 1 2.97 2.4718 10.659 ## Starting information for simulation # 18 69 18 4789 1 2.86 2.7627 12.969 69 18 4790 1 2.89 2.6327 13.381 ## Starting information for simulation # 19 ## Starting information for simulation # 20 69 20 7094 1 2.86 3.0386 12.008 69 20 7095 1 2.69 2.6344 12.543 69 20 7096 1 2.74 2.9103 12.582 69 20 7114 1 2.89 1.9229 13.221 69 20 7136 1 2.83 2.7637 11.204 69 20 7137 1 2.70 2.4344 12.011 69 20 7138 1 2.91 2.7773 12.915 69 20 7139 1 2.68 2.5668 12.167 69 20 7140 1 2.81 2.9206 12.793 69 20 7146 1 2.71 2.9642 12.811 69 20 7161 1 2.89 2.8981 12.059 69 20 7162 1 2.84 2.9322 12.432 69 20 7163 1 2.95 2.9397 12.131 69 20 7164 1 2.66 3.0252 12.358 69 20 7165 1 2.82 3.0264 12.545 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 69 23 2498 1 2.68 2.8469 11.769 69 23 9063 1 2.82 2.1954 11.727 ## Starting information for simulation # 24 69 24 5669 1 2.88 2.5567 12.152 ## Starting information for simulation # 25 69 25 886 1 2.99 2.8828 12.977 69 25 887 1 2.98 2.6400 13.050 69 25 891 1 2.89 2.7482 13.106 69 25 892 1 2.79 2.5524 13.090 69 25 896 1 2.89 2.5064 13.371 69 25 898 1 2.82 2.7305 13.547 69 25 899 1 2.60 2.3189 14.001 69 25 901 1 2.70 3.0924 12.751 69 25 902 1 2.98 2.8889 13.413 69 25 1800 1 2.95 2.9632 11.396 69 25 1824 1 2.99 3.1215 11.216 69 25 6613 1 2.93 2.6875 12.944 69 25 6755 1 2.98 2.8832 12.397 69 25 6756 1 2.76 2.5589 12.501 69 25 7513 1 2.69 2.8305 12.503 69 25 7516 1 2.81 2.5246 13.230 69 25 7539 1 2.80 2.8519 12.250 69 25 7540 1 2.93 2.6698 12.205 69 25 9116 1 2.84 2.1625 13.160 69 25 9117 1 2.73 3.0008 12.649 ## Starting information for simulation # 26 69 26 966 1 2.97 2.2740 11.933 69 26 1010 1 2.69 2.7363 12.520 69 26 1011 1 2.91 3.0874 12.891 69 26 1014 1 2.83 2.9548 13.086 69 26 1017 1 3.00 3.0386 12.848 69 26 1018 1 2.81 2.4466 13.092 69 26 1019 1 2.74 2.7237 13.043 69 26 1021 1 2.76 2.4650 12.983 69 26 3813 1 2.97 2.0517 12.261 69 26 3838 1 2.94 3.0009 12.526 69 26 5322 1 2.69 2.8815 10.715 69 26 5323 1 2.79 2.8396 10.855 69 26 5324 1 2.60 2.9322 11.215 69 26 5325 1 2.79 2.9080 11.311 69 26 5326 1 2.68 2.5469 10.787 69 26 6066 1 2.66 2.6590 13.057 69 26 7047 1 2.79 2.7309 12.185 69 26 7048 1 2.64 2.9534 11.960 69 26 7050 1 2.81 2.6992 12.374 69 26 7052 1 2.97 2.5275 12.669 69 26 7053 1 2.73 3.0068 12.708 69 26 8424 1 2.65 2.7842 12.478 69 26 8425 1 2.74 3.0102 12.332 ## Starting information for simulation # 27 69 27 6462 1 2.74 2.6755 11.155 ## Starting information for simulation # 28 69 28 400 1 2.99 2.4429 12.879 69 28 413 1 2.66 3.0014 12.897 69 28 565 1 2.95 2.0125 11.951 69 28 580 1 2.86 3.0127 11.796 69 28 585 1 2.90 2.6431 12.387 69 28 2480 1 2.83 2.6981 11.545 69 28 2592 1 2.83 2.5330 11.189 69 28 2593 1 2.67 2.7037 11.543 69 28 2594 1 2.86 3.0015 11.345 69 28 2595 1 2.72 2.7465 11.268 69 28 2601 1 2.83 2.4953 11.228 69 28 2603 1 2.67 2.3784 11.271 69 28 2630 1 2.87 2.9113 11.353 69 28 2698 1 2.83 2.7494 12.883 69 28 3112 1 2.75 3.0143 11.608 69 28 3290 1 2.80 2.9850 12.734 69 28 3376 1 2.88 2.9250 12.668 69 28 3378 1 2.98 2.3108 12.219 69 28 5681 1 2.81 2.7835 11.200 69 28 5710 1 2.80 2.4334 10.842 69 28 5712 1 2.89 3.0638 11.815 69 28 5823 1 2.77 2.8431 11.841 69 28 6216 1 2.88 2.5484 12.060 69 28 6220 1 2.72 2.8078 11.675 69 28 6224 1 2.58 2.9750 11.512 69 28 6293 1 2.85 1.7921 11.525 69 28 6603 1 2.89 1.8825 11.305 69 28 7120 1 3.00 1.7532 11.638 69 28 7344 1 2.65 2.8442 11.450 69 28 8107 1 2.68 2.6255 11.559 69 28 8367 1 2.75 2.5198 11.440 69 28 9686 1 2.82 2.7414 11.610 69 28 9687 1 2.71 2.6993 11.641 69 28 9744 1 2.77 2.7086 11.340 69 28 9745 1 2.97 1.8603 11.363 69 28 9800 1 2.63 2.8988 12.043 69 28 9814 1 2.68 2.4517 12.084 69 28 9815 1 2.76 2.2882 11.811 69 28 9816 1 2.97 1.7592 11.494 69 28 9817 1 2.81 2.0309 11.639 ## Starting information for simulation # 29 69 29 1334 1 2.71 2.8727 12.121 69 29 1335 1 2.97 2.4833 12.595 69 29 1336 1 2.77 2.7280 13.533 69 29 1398 1 2.97 3.0214 11.498 69 29 1399 1 2.90 2.8413 11.571 ## Starting information for simulation # 30 69 30 2995 1 2.81 2.8767 11.676 69 30 2997 1 2.75 2.9123 11.822 69 30 3003 1 2.96 2.7044 11.716 69 30 3004 1 2.83 2.7854 11.618 69 30 6906 1 2.84 2.8138 12.016 69 30 7200 1 2.85 2.1716 11.535 69 30 8538 1 2.73 2.6736 12.564 69 30 8687 1 2.80 2.9184 12.720 69 30 8696 1 2.76 3.0112 12.913 69 30 8992 1 2.73 2.7924 12.721 69 30 8995 1 2.94 2.8447 12.702 69 30 9127 1 2.69 2.9222 13.562 69 30 9135 1 2.78 2.7569 12.248 69 30 9730 1 2.97 1.9823 12.392 ## Starting information for simulation # 31 69 31 1092 1 2.94 2.5110 12.824 ## Starting information for simulation # 32 69 32 3851 1 2.86 2.9511 11.867 69 32 3859 1 2.87 2.8170 11.716 69 32 7851 1 2.83 2.9393 12.846 69 32 8418 1 2.88 2.7240 12.591 69 32 9080 1 2.80 2.9757 12.749 69 32 9082 1 2.75 2.8637 12.476 69 32 9878 1 2.80 2.0803 13.423