# Bonding information for index 317 -- ACE_1@O 0VA_13@H3O 0VA_13@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 317 1 1814 2 2.90 2.3724 11.275 ## Starting information for simulation # 2 317 2 1064 2 2.82 2.4162 11.349 317 2 1075 2 2.91 2.6035 11.905 317 2 1077 2 2.76 2.9085 12.277 317 2 1087 2 2.95 2.3169 12.328 317 2 1088 2 2.68 2.7656 12.287 317 2 1103 2 2.62 2.9470 11.651 317 2 1104 2 2.68 2.5742 11.230 317 2 1105 2 2.99 2.7105 11.944 317 2 1109 2 2.76 3.0149 11.375 317 2 1110 2 2.84 2.8026 10.907 317 2 1111 2 2.75 2.7800 11.413 317 2 1114 2 2.96 2.6965 12.160 317 2 1120 2 2.58 2.9687 11.968 317 2 1121 2 2.96 2.9012 11.582 317 2 1138 2 2.94 2.6836 11.903 317 2 1139 2 2.82 2.7552 11.316 317 2 1140 2 2.72 2.6639 11.039 317 2 1155 2 3.00 2.7568 11.061 317 2 1156 2 2.89 2.7110 11.148 317 2 1157 2 2.76 2.9260 11.386 317 2 1158 2 2.69 1.9946 11.774 317 2 1175 2 2.61 2.7643 12.295 317 2 1176 2 2.88 2.4838 12.762 317 2 1177 2 2.73 2.7840 12.449 317 2 1353 2 2.53 2.4679 11.234 317 2 1364 2 2.99 2.2095 10.972 317 2 1365 2 2.81 2.8342 11.231 317 2 1366 2 2.81 2.8020 11.292 317 2 1367 2 2.91 2.4409 10.737 317 2 1394 2 2.74 2.8073 12.102 317 2 1395 2 2.79 2.7582 12.480 317 2 1396 2 2.85 2.8710 12.607 317 2 1397 2 2.72 2.5432 12.383 317 2 1398 2 2.78 2.4790 12.524 317 2 1400 2 2.85 2.9689 12.550 317 2 1401 2 2.75 2.6439 12.106 317 2 1408 2 2.63 2.4605 11.629 317 2 1409 2 2.99 2.0394 11.300 317 2 1410 2 2.81 2.7114 11.180 317 2 1466 2 2.85 2.5879 12.181 317 2 1477 2 2.65 2.5591 11.971 317 2 1503 2 2.79 2.6774 11.897 317 2 1505 2 2.70 2.7395 11.743 317 2 1507 2 2.84 3.0523 11.295 317 2 1517 2 2.74 3.0207 11.979 317 2 1522 2 2.71 2.8263 12.101 317 2 1523 2 2.75 2.9484 12.315 317 2 1524 2 2.60 2.9149 12.888 317 2 1526 2 2.57 2.9183 13.299 317 2 1530 2 2.91 2.1973 12.435 317 2 1531 2 2.60 2.9706 11.373 317 2 1533 2 2.75 2.7297 12.211 317 2 1534 2 2.75 2.9266 11.721 317 2 1535 2 2.74 2.8295 12.079 317 2 1537 2 2.74 2.7642 11.848 317 2 1539 2 2.69 2.7568 11.717 317 2 1541 2 2.70 2.9672 11.931 317 2 1542 2 2.64 2.8971 12.450 317 2 1543 2 2.65 2.9656 12.044 317 2 1544 2 2.86 2.8902 12.200 317 2 1545 2 2.91 2.6257 12.161 317 2 1547 2 2.94 2.8176 11.476 317 2 1551 2 2.84 2.7191 11.721 317 2 1633 2 2.66 3.0239 12.718 317 2 1635 2 2.90 2.9617 13.021 317 2 1644 2 2.74 2.8007 13.118 317 2 1645 2 2.80 2.9206 12.570 317 2 1646 2 2.75 2.7179 12.936 317 2 1649 2 2.86 2.8704 13.390 317 2 1652 2 2.92 1.8840 12.791 317 2 1653 2 2.69 2.8027 12.887 317 2 1654 2 2.93 2.1509 13.061 317 2 1655 2 2.97 2.6869 12.189 317 2 1656 2 2.54 2.9681 12.987 317 2 1657 2 2.57 2.5400 13.050 317 2 1658 2 2.83 2.8078 12.647 317 2 1659 2 2.63 2.6865 12.267 317 2 1661 2 2.78 3.1140 12.529 317 2 1662 2 2.93 2.8467 12.704 317 2 1683 2 2.59 3.0356 13.284 317 2 1684 2 2.81 3.0466 12.722 317 2 1685 2 2.62 2.8745 12.867 317 2 1688 2 2.73 2.7995 12.520 317 2 1689 2 2.82 2.7650 12.511 317 2 1691 2 2.74 2.6823 11.997 317 2 1704 2 2.76 2.7571 11.897 317 2 1707 2 2.84 2.4606 11.981 317 2 1708 2 2.98 2.8647 11.804 317 2 1729 2 2.64 2.8714 12.042 317 2 1731 2 2.94 2.4492 11.755 317 2 1733 2 2.86 2.4329 11.293 317 2 1734 2 2.85 2.0348 11.045 317 2 1735 2 2.83 2.2771 11.359 317 2 1736 2 2.81 2.1328 11.665 317 2 1742 2 2.89 2.7785 11.404 317 2 1744 2 2.96 2.5259 11.942 317 2 1745 2 2.71 2.9431 12.187 317 2 1746 2 2.81 2.6343 11.213 317 2 1747 2 2.92 2.4780 11.016 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 317 6 1947 2 2.89 2.6340 10.793 317 6 1965 2 2.94 2.7859 11.037 317 6 3759 2 2.82 1.8354 10.705 ## Starting information for simulation # 7 317 7 603 2 2.96 1.9772 10.955 317 7 843 2 2.82 2.6507 10.759 317 7 844 2 2.52 2.8658 10.955 317 7 846 2 2.70 2.9830 11.442 317 7 847 2 2.87 2.3881 11.202 317 7 849 2 2.61 3.0290 10.517 ## Starting information for simulation # 8 317 8 3706 2 2.55 2.9171 10.464 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 317 14 468 2 2.73 2.9949 12.487 317 14 469 2 2.92 2.8269 12.519 317 14 576 2 2.74 2.8095 13.046 317 14 2237 2 2.89 2.4497 10.613 317 14 5364 2 2.80 2.9474 10.848 317 14 5412 2 2.94 2.7636 12.513 ## Starting information for simulation # 15 ## Starting information for simulation # 16 317 16 1142 2 2.76 3.0638 11.767 317 16 1143 2 2.92 2.8883 10.837 317 16 1144 2 2.89 2.9545 11.006 317 16 1145 2 2.70 2.6952 11.123 317 16 1146 2 2.86 2.9104 11.567 317 16 1147 2 2.74 3.0216 11.074 317 16 1148 2 3.00 2.3910 11.675 317 16 1149 2 2.64 2.6736 11.232 317 16 1150 2 2.59 2.9592 10.933 317 16 1152 2 2.76 2.6425 10.552 317 16 1255 2 2.83 2.7744 11.162 317 16 1437 2 2.79 2.6921 11.617 317 16 1493 2 2.96 2.5872 10.813 317 16 1497 2 2.67 3.0226 11.800 317 16 1839 2 2.96 2.5593 12.233 317 16 1842 2 2.96 2.9434 12.114 317 16 3952 2 2.89 2.6266 10.516 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 317 21 1261 2 2.69 2.9243 11.663 317 21 1262 2 2.58 2.8563 12.250 317 21 1267 2 2.90 2.5391 11.784 317 21 1279 2 2.83 2.6777 12.476 317 21 1280 2 2.74 2.5963 11.457 317 21 1310 2 2.90 2.0307 11.911 317 21 7521 2 2.84 2.9124 10.263 317 21 7572 2 2.91 2.6488 12.028 317 21 7946 2 2.81 3.0447 10.843 317 21 7947 2 2.68 2.8222 10.856 317 21 7950 2 2.80 2.9200 10.941 ## Starting information for simulation # 22 317 22 3914 2 2.90 2.7389 11.032 317 22 3917 2 2.96 2.7896 10.774 317 22 3918 2 2.73 2.8481 11.098 317 22 3919 2 2.98 2.6937 11.104 ## Starting information for simulation # 23 ## Starting information for simulation # 24 317 24 4119 2 2.86 2.4318 11.605 317 24 4120 2 2.78 2.5641 12.303 317 24 4124 2 2.84 2.7132 12.681 317 24 4126 2 2.92 2.4857 11.787 317 24 4128 2 2.89 2.3451 11.660 317 24 4131 2 2.61 2.8831 12.039 317 24 4132 2 2.74 2.5667 12.210 317 24 4134 2 2.81 2.1278 11.779 317 24 4135 2 2.81 2.8606 11.320 317 24 4136 2 2.62 3.0550 11.398 317 24 4137 2 2.77 2.4829 11.035 317 24 4138 2 2.52 2.9353 11.474 317 24 4144 2 2.76 2.7990 11.609 317 24 4146 2 2.75 3.1147 11.063 317 24 4149 2 2.71 2.8473 11.359 317 24 4150 2 2.76 2.7157 11.066 317 24 4151 2 2.90 2.7384 11.892 317 24 4161 2 2.61 2.3147 11.391 317 24 4164 2 2.59 2.9915 11.700 317 24 4165 2 2.78 2.6844 12.129 317 24 4166 2 2.68 2.8427 11.908 317 24 4177 2 2.84 2.7214 11.894 317 24 4178 2 2.87 2.4724 11.241 317 24 4179 2 2.66 2.6266 11.750 317 24 4180 2 2.65 2.6499 11.540 317 24 4184 2 2.71 2.5248 12.244 317 24 4189 2 2.83 2.9118 12.007 317 24 4191 2 2.72 2.5123 11.977 317 24 4192 2 2.75 2.9194 12.316 317 24 4227 2 2.83 2.4066 12.373 317 24 4238 2 2.94 2.8751 12.647 317 24 4240 2 2.73 2.3989 11.729 317 24 4246 2 2.72 2.3640 12.473 317 24 4247 2 2.66 2.8828 12.238 317 24 4248 2 2.58 2.8265 12.229 317 24 4249 2 2.80 2.9751 12.170 317 24 4250 2 2.68 3.0132 11.880 317 24 4251 2 2.95 2.8770 12.211 317 24 4252 2 2.86 2.6300 11.956 317 24 4253 2 2.65 3.0087 11.802 317 24 4314 2 2.95 2.6044 12.395 317 24 4315 2 2.83 2.7715 12.551 317 24 4317 2 2.76 2.5032 11.736 317 24 4345 2 2.86 2.2711 11.651 317 24 4347 2 2.72 2.7907 12.012 317 24 4358 2 2.95 2.7108 11.895 317 24 4364 2 2.79 2.3605 11.384 317 24 4386 2 2.77 2.4903 11.560 317 24 4387 2 2.94 2.6914 11.943 317 24 4402 2 2.72 2.9977 12.237 317 24 4451 2 2.58 2.9182 12.110 317 24 4452 2 2.77 2.6045 12.083 317 24 4453 2 2.74 2.8781 12.631 317 24 4455 2 2.84 2.7402 12.757 317 24 4456 2 2.78 2.8748 12.231 317 24 4457 2 2.65 2.7473 11.962 317 24 4458 2 2.76 2.2926 12.813 317 24 4460 2 2.73 2.6504 12.996 317 24 4461 2 2.81 2.8471 12.537 317 24 4462 2 2.76 2.7317 12.931 317 24 4471 2 2.73 2.5198 12.003 317 24 4549 2 2.71 3.0441 13.025 317 24 4553 2 2.79 3.0642 12.492 317 24 4555 2 2.77 2.5371 12.876 317 24 4557 2 2.74 2.7075 13.353 317 24 4559 2 2.97 2.1140 12.682 317 24 4569 2 2.76 2.7621 12.928 317 24 4570 2 2.76 2.1308 12.543 317 24 4571 2 2.63 2.7956 13.160 317 24 4574 2 2.64 2.5783 13.202 317 24 4575 2 2.67 2.6910 13.018 317 24 4576 2 2.74 2.8329 12.623 317 24 4578 2 2.69 2.5526 12.779 317 24 4579 2 2.68 2.6851 12.589 317 24 4580 2 2.75 2.5393 13.071 317 24 4617 2 2.85 2.9851 12.428 317 24 4619 2 2.75 3.0883 12.627 317 24 4620 2 2.63 2.8960 13.084 317 24 4623 2 2.66 2.9479 13.068 317 24 4628 2 2.79 2.9782 12.666 317 24 4630 2 2.75 2.7735 12.890 317 24 4632 2 2.65 2.9073 12.568 317 24 4633 2 2.83 2.8716 12.446 317 24 4635 2 2.68 2.3188 12.331 317 24 4636 2 2.77 2.7174 12.403 317 24 4637 2 2.81 2.8046 12.414 317 24 4646 2 2.48 2.8237 12.520 317 24 4652 2 2.90 2.6850 11.937 317 24 4654 2 2.66 2.8139 11.731 317 24 4656 2 2.99 2.0088 12.303 317 24 4657 2 2.97 2.4340 12.185 317 24 4659 2 2.77 2.8026 11.930 317 24 4695 2 2.84 2.8262 12.752 317 24 4706 2 2.77 2.6226 13.055 317 24 4707 2 2.94 2.9452 12.499 317 24 4713 2 2.83 2.5520 12.856 317 24 4715 2 2.96 2.6568 12.158 317 24 4729 2 2.94 2.8740 12.002 317 24 4732 2 2.75 2.8276 12.065 317 24 4734 2 2.91 2.8373 12.038 317 24 4760 2 2.79 2.8907 12.891 317 24 4770 2 2.99 2.8376 12.831 317 24 4771 2 2.84 2.3824 13.599 317 24 4773 2 2.63 2.9229 12.352 317 24 4774 2 2.65 3.0235 12.866 317 24 4775 2 2.75 3.0209 12.930 317 24 4776 2 2.67 2.9012 12.742 317 24 4777 2 2.85 2.7893 12.659 317 24 4778 2 2.58 2.9314 12.678 317 24 4779 2 2.89 2.7616 12.797 317 24 4780 2 2.72 2.9273 13.025 317 24 4781 2 2.87 2.6201 13.040 317 24 4784 2 2.96 2.4214 13.026 317 24 4785 2 2.87 2.5330 13.000 317 24 4877 2 2.81 2.8873 13.118 317 24 4878 2 2.82 2.8120 13.121 317 24 4880 2 2.71 2.6782 13.778 317 24 4881 2 2.69 2.7466 13.024 317 24 4882 2 2.58 3.1113 12.913 317 24 4883 2 2.51 3.0289 12.805 317 24 4885 2 2.86 2.6370 11.738 317 24 4899 2 2.62 2.9927 12.782 317 24 4905 2 2.81 2.9037 13.037 317 24 4907 2 2.95 2.9847 12.898 317 24 4909 2 2.83 2.0892 12.374 317 24 4912 2 2.73 2.3564 12.663 317 24 4913 2 2.62 2.8001 12.000 317 24 4925 2 2.94 2.6861 12.584 317 24 4927 2 2.70 2.9578 11.767 317 24 4933 2 2.78 2.8714 11.480 317 24 4944 2 2.57 2.5458 11.358 317 24 4945 2 2.97 2.6168 11.793 317 24 4946 2 2.72 2.8920 12.264 317 24 4947 2 2.86 2.4408 12.211 317 24 5107 2 2.72 2.5571 11.165 317 24 5108 2 2.75 2.8686 11.261 317 24 5109 2 2.60 2.4338 11.284 317 24 5115 2 2.75 2.5725 11.399 317 24 5118 2 2.61 2.7301 11.640 317 24 5144 2 2.98 2.7392 12.130 317 24 5165 2 2.72 2.8500 12.189 317 24 5170 2 2.86 3.0172 12.643 317 24 5171 2 2.75 3.0254 12.037 317 24 5172 2 2.93 2.4791 12.796 317 24 5173 2 2.85 2.4227 12.983 317 24 5175 2 2.91 2.7317 12.723 317 24 5182 2 2.60 2.6859 12.517 317 24 5184 2 2.79 2.9972 12.230 317 24 5218 2 2.93 2.7053 12.023 317 24 5219 2 2.79 2.7689 12.014 317 24 5220 2 2.81 2.9188 11.971 317 24 5253 2 2.88 2.5474 12.723 317 24 5256 2 2.69 2.7619 12.788 317 24 5262 2 2.68 2.8500 12.806 317 24 5264 2 2.76 2.9047 13.141 317 24 5266 2 2.72 2.6122 13.157 317 24 5387 2 2.94 2.9093 11.306 317 24 5389 2 2.77 2.6325 12.604 317 24 5390 2 2.65 2.7274 12.687 317 24 5392 2 2.87 2.2758 12.089 317 24 5395 2 2.95 2.7063 12.393 317 24 5396 2 2.89 2.9013 12.286 317 24 5403 2 2.80 2.5116 12.335 317 24 5404 2 2.67 2.9270 12.249 317 24 5405 2 2.95 2.1698 11.819 317 24 5406 2 2.93 1.7630 12.382 317 24 5407 2 2.83 2.6938 12.622 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 317 29 6358 2 2.73 2.8798 12.637 317 29 6395 2 2.76 2.9584 12.205 317 29 6406 2 2.72 2.6097 11.583 317 29 6407 2 2.89 2.7493 11.075 317 29 6411 2 2.62 2.7581 10.993 317 29 6414 2 2.87 2.4811 11.412 317 29 6431 2 2.75 2.3282 12.194 317 29 6438 2 2.87 2.2258 12.378 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32