# Bonding information for index 78 -- 0MA_12@O5 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 78 4 3624 1 2.97 2.8794 12.223 78 4 3645 1 2.90 2.9258 12.226 78 4 3650 1 2.94 2.3247 12.615 78 4 3723 1 2.74 2.7099 13.332 78 4 3724 1 2.79 2.6494 13.301 78 4 3725 1 2.70 2.3963 12.677 78 4 3726 1 2.77 2.2029 12.950 78 4 3752 1 2.72 2.9005 13.183 78 4 3753 1 3.00 1.8368 12.929 78 4 3762 1 2.86 2.6647 12.502 ## 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 78 9 745 1 2.85 2.6685 12.004 78 9 4439 1 2.97 2.7960 10.770 78 9 4458 1 2.89 2.3221 11.990 78 9 4463 1 2.79 3.0260 11.543 78 9 4466 1 2.84 2.3025 11.391 78 9 4602 1 2.86 2.7250 10.042 78 9 4603 1 2.89 2.1894 9.914 78 9 4608 1 2.73 2.9871 10.393 78 9 4639 1 2.92 2.0838 10.171 78 9 4702 1 2.97 2.6217 10.856 78 9 4954 1 2.89 2.6497 10.299 78 9 4979 1 2.85 1.9252 9.976 78 9 4989 1 2.97 2.7281 9.867 78 9 4990 1 2.82 2.3220 10.404 78 9 5092 1 2.98 2.7389 12.235 78 9 5162 1 2.82 2.0268 10.351 78 9 5164 1 2.83 2.2070 10.976 78 9 5165 1 2.72 2.0032 10.767 78 9 5167 1 2.99 2.2330 10.457 78 9 5168 1 2.91 2.6919 10.068 78 9 5169 1 2.71 2.8772 10.812 78 9 5173 1 2.84 2.7918 10.994 78 9 5266 1 2.56 2.5444 10.925 78 9 5272 1 2.97 2.7946 11.247 78 9 6317 1 2.62 2.2894 12.774 78 9 6319 1 2.80 2.3477 12.645 78 9 6322 1 2.82 2.2421 13.147 78 9 6323 1 2.94 2.0812 12.828 78 9 6324 1 2.75 3.0412 12.456 78 9 6325 1 2.74 2.3160 12.763 78 9 6333 1 2.81 1.8779 12.504 78 9 6377 1 2.84 2.8781 12.736 78 9 6420 1 2.98 1.7587 12.361 78 9 6421 1 2.72 2.5936 12.880 78 9 6422 1 2.86 2.7022 12.648 78 9 6643 1 2.78 2.6153 13.071 78 9 6644 1 2.88 2.7583 12.745 78 9 6646 1 2.89 2.6186 13.083 78 9 6648 1 2.86 2.4515 13.171 78 9 6650 1 2.88 2.8756 12.052 78 9 6918 1 2.91 2.8555 12.606 78 9 7044 1 2.75 2.4597 12.425 78 9 7257 1 2.78 2.8890 13.084 78 9 7579 1 2.89 2.5743 12.644 78 9 7642 1 2.93 2.7777 12.233 78 9 7643 1 2.64 3.0840 12.978 78 9 7756 1 2.99 2.9550 13.254 78 9 7757 1 2.63 2.8164 13.106 78 9 7818 1 2.67 2.8568 13.116 78 9 7819 1 2.85 2.7223 13.061 78 9 7821 1 2.69 2.7416 13.200 78 9 7822 1 2.91 1.9079 13.037 78 9 8494 1 2.94 1.8152 12.774 78 9 8623 1 2.88 2.5071 12.900 78 9 8625 1 2.88 2.0085 12.458 78 9 8644 1 2.88 2.5242 12.818 78 9 8772 1 2.70 2.9236 12.467 78 9 8781 1 2.92 2.3000 12.613 78 9 8782 1 2.74 2.5855 12.355 78 9 8783 1 2.87 2.8807 12.316 78 9 9110 1 2.71 2.9779 11.587 78 9 9111 1 2.98 2.6315 11.001 78 9 9154 1 2.88 2.7026 11.650 78 9 9180 1 2.94 2.9187 12.058 78 9 9181 1 2.96 3.0641 11.701 78 9 9182 1 2.82 2.7683 11.699 78 9 9191 1 2.94 2.6387 12.035 78 9 9197 1 2.76 2.4401 10.832 78 9 9199 1 2.91 3.0893 10.344 78 9 9204 1 2.92 2.6003 9.649 78 9 9205 1 2.83 1.7519 10.280 78 9 9206 1 2.94 2.3024 10.100 78 9 9209 1 2.63 3.0790 10.435 78 9 9210 1 2.95 2.3839 9.621 78 9 9217 1 2.90 2.6656 10.347 78 9 9230 1 2.77 2.9953 9.639 78 9 9231 1 2.99 2.3738 9.625 78 9 9235 1 2.91 2.4841 10.149 78 9 9252 1 2.76 2.2660 9.451 78 9 9254 1 2.71 2.9905 9.140 78 9 9255 1 2.82 2.3771 8.695 78 9 9257 1 2.91 2.6828 9.779 78 9 9258 1 2.99 2.4945 9.806 78 9 9260 1 2.75 2.8274 9.389 78 9 9262 1 2.97 2.3568 9.510 78 9 9276 1 2.96 2.9040 9.391 78 9 9286 1 2.81 2.8631 9.677 78 9 9287 1 2.82 2.8293 9.366 78 9 9288 1 2.99 2.0131 9.303 78 9 9289 1 2.76 2.7386 9.717 78 9 9290 1 2.76 2.4635 9.211 78 9 9294 1 2.54 2.9615 9.796 78 9 9307 1 2.88 2.6274 9.927 78 9 9308 1 2.74 3.1004 9.653 78 9 9309 1 2.77 2.8000 9.703 78 9 9311 1 2.94 2.7339 9.983 78 9 9313 1 2.78 2.3477 9.867 78 9 9314 1 2.84 2.7372 9.913 78 9 9315 1 2.73 2.5037 9.767 78 9 9320 1 2.63 2.6036 9.627 78 9 9321 1 2.69 3.0435 9.942 78 9 9323 1 2.83 2.7460 9.710 78 9 9340 1 2.77 2.6265 9.130 78 9 9413 1 2.90 2.3760 9.263 78 9 9414 1 2.73 2.8184 9.344 78 9 9419 1 2.88 2.0991 9.941 78 9 9420 1 2.90 2.8423 9.451 78 9 9421 1 2.70 2.8696 10.028 78 9 9422 1 2.76 2.8033 9.569 78 9 9423 1 2.82 2.9737 9.843 78 9 9424 1 2.83 2.4775 9.580 78 9 9428 1 2.91 2.6259 9.819 78 9 9452 1 2.73 2.4868 9.816 78 9 9528 1 2.97 2.8733 9.706 78 9 9530 1 2.74 2.8843 10.133 78 9 9531 1 2.82 2.2034 10.769 78 9 9585 1 2.85 3.0084 9.791 78 9 9586 1 2.71 2.4005 9.706 78 9 9644 1 2.91 2.6156 9.278 78 9 9664 1 2.91 2.9101 9.685 78 9 9665 1 2.87 2.1922 9.442 78 9 9680 1 2.72 3.0126 9.498 78 9 9681 1 2.98 2.0700 9.603 78 9 9685 1 2.86 2.7518 9.463 78 9 9688 1 2.54 2.9242 9.369 78 9 9689 1 2.72 2.7458 9.461 78 9 9692 1 2.83 2.4530 9.291 78 9 9694 1 2.90 2.5641 9.679 78 9 9698 1 2.85 1.7777 9.030 78 9 9699 1 2.62 2.9156 9.129 78 9 9703 1 2.76 2.7573 9.746 78 9 9704 1 2.82 2.6483 9.802 78 9 9705 1 2.74 2.8700 9.602 78 9 9708 1 2.74 2.5714 9.117 78 9 9716 1 2.73 2.9807 9.726 ## Starting information for simulation # 10 ## Starting information for simulation # 11 78 11 7573 1 2.96 2.6948 12.786 78 11 7577 1 2.87 2.7929 12.247 78 11 7578 1 2.94 2.6407 12.884 78 11 7581 1 2.93 2.9981 12.426 78 11 7586 1 2.81 2.7114 12.500 ## Starting information for simulation # 12 ## Starting information for simulation # 13 78 13 1677 1 2.94 2.7232 11.685 ## Starting information for simulation # 14 78 14 1035 1 2.74 2.8862 11.751 78 14 1037 1 2.70 2.5483 11.387 78 14 1062 1 2.72 2.4730 11.435 78 14 1131 1 2.70 2.8339 11.940 78 14 1283 1 2.83 2.7935 11.801 78 14 1287 1 2.85 2.4013 11.800 78 14 1288 1 2.97 2.5412 11.440 78 14 1430 1 2.85 2.6941 11.066 78 14 1477 1 2.88 2.9863 11.819 ## Starting information for simulation # 15 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 78 19 9739 1 2.91 2.5008 12.012 78 19 9742 1 2.82 2.8571 11.269 78 19 9781 1 2.97 2.5364 11.781 78 19 9792 1 2.86 2.1349 10.954 78 19 9797 1 2.93 2.3268 11.665 78 19 9801 1 2.73 2.7406 11.343 78 19 9802 1 2.99 2.1143 10.997 78 19 9803 1 2.59 2.9692 11.261 78 19 9806 1 2.59 3.0117 10.818 78 19 9810 1 2.92 2.2878 10.694 78 19 9811 1 2.79 1.9939 10.181 78 19 9813 1 2.98 2.7407 10.181 78 19 9815 1 3.00 2.3169 10.549 ## Starting information for simulation # 20 ## Starting information for simulation # 21 78 21 908 1 3.00 2.4453 7.030 78 21 1326 1 2.99 2.5336 8.449 78 21 1327 1 2.93 2.6292 7.980 78 21 1331 1 2.91 2.9016 8.358 78 21 5764 1 2.99 2.5893 7.360 78 21 5767 1 2.93 2.8000 7.370 78 21 6920 1 2.90 2.8697 10.113 78 21 7352 1 2.90 2.7176 9.950 78 21 7448 1 2.74 2.6860 9.276 78 21 7471 1 2.84 2.7602 9.613 78 21 7472 1 2.93 2.8577 9.545 78 21 7478 1 2.78 2.6317 10.018 78 21 7911 1 2.90 2.6076 9.869 78 21 7912 1 2.86 2.7157 9.410 78 21 7913 1 2.76 2.3795 10.283 78 21 8256 1 2.96 1.9017 10.232 78 21 8258 1 2.90 2.9934 10.061 78 21 8336 1 2.78 2.6297 8.408 78 21 8846 1 2.68 2.2535 8.858 78 21 8847 1 2.84 2.5163 8.277 78 21 8849 1 2.68 3.0721 8.626 78 21 8850 1 2.94 2.7995 7.978 78 21 8853 1 2.76 2.7934 6.501 78 21 9104 1 2.87 2.8078 7.627 78 21 9464 1 2.72 2.7314 8.148 78 21 9465 1 2.77 2.8702 8.086 78 21 9466 1 2.99 2.7892 8.468 78 21 9467 1 2.92 2.4546 8.184 78 21 9503 1 2.67 3.0127 7.984 78 21 9505 1 2.89 2.9213 8.275 ## Starting information for simulation # 22 78 22 9179 1 2.71 2.4319 11.937 78 22 9300 1 2.83 2.3795 12.391 ## Starting information for simulation # 23 ## Starting information for simulation # 24 78 24 5982 1 2.82 2.8438 12.814 78 24 5983 1 2.81 2.4169 12.193 78 24 7505 1 2.79 2.4437 12.524 78 24 7860 1 2.72 2.7900 13.015 ## Starting information for simulation # 25 78 25 4620 1 2.66 3.0179 11.786 78 25 4621 1 2.94 2.3552 11.889 78 25 4622 1 2.75 2.5374 11.862 78 25 4625 1 2.86 2.5831 12.032 78 25 4628 1 2.84 2.5028 11.928 78 25 4629 1 2.76 2.7089 12.191 78 25 4630 1 2.78 2.5372 11.594 78 25 4631 1 2.84 1.9889 11.478 78 25 4632 1 2.76 2.9211 11.315 78 25 4634 1 2.62 3.0970 12.085 78 25 4636 1 2.70 2.8530 11.689 78 25 4641 1 2.90 1.8690 12.384 78 25 4644 1 2.87 2.5785 12.147 78 25 4645 1 2.90 2.7042 12.034 78 25 4650 1 2.79 2.8705 11.510 78 25 4651 1 2.76 2.9501 12.100 78 25 4655 1 2.94 2.8061 11.747 78 25 4656 1 2.83 2.6590 11.734 78 25 4658 1 2.82 3.0018 11.718 78 25 4659 1 2.76 2.5380 11.957 78 25 4660 1 2.95 3.0998 11.756 78 25 4662 1 2.95 2.1800 12.101 78 25 4677 1 2.72 2.7427 11.148 78 25 4681 1 2.54 2.7736 11.114 78 25 4682 1 2.91 3.0683 11.635 78 25 4690 1 2.64 2.2991 12.128 78 25 4706 1 2.78 2.9558 11.390 78 25 4708 1 2.87 2.3169 11.751 78 25 4711 1 2.95 2.2558 12.107 78 25 4712 1 2.92 2.7814 11.385 78 25 4736 1 2.79 1.7683 10.647 78 25 4739 1 2.90 2.0832 11.317 78 25 4740 1 2.97 2.8990 10.766 78 25 5005 1 2.90 2.9100 11.601 78 25 5008 1 2.74 2.8314 11.956 78 25 5025 1 2.68 2.4176 12.637 78 25 5026 1 2.75 2.8380 12.057 78 25 5046 1 2.91 2.3807 11.761 78 25 5049 1 2.98 2.8939 12.208 78 25 5066 1 2.76 2.2987 12.062 78 25 5067 1 2.91 2.6299 12.114 78 25 5068 1 2.82 2.0259 12.145 78 25 5069 1 2.86 2.6131 11.897 78 25 5241 1 2.92 2.2964 10.992 78 25 5247 1 2.81 2.7599 11.678 78 25 5249 1 2.95 2.9823 11.563 78 25 5250 1 2.90 2.6324 11.732 78 25 5254 1 2.88 3.0201 11.082 78 25 5294 1 2.95 1.8605 10.662 78 25 5295 1 2.80 2.8231 10.461 78 25 5297 1 2.71 2.8784 10.569 ## Starting information for simulation # 26 ## Starting information for simulation # 27 78 27 9282 1 2.75 2.2367 11.070 78 27 9284 1 2.94 2.7494 12.681 78 27 9285 1 2.89 2.6649 12.769 78 27 9296 1 2.77 2.4385 12.482 78 27 9297 1 2.76 2.9306 12.321 78 27 9298 1 2.68 3.0830 12.224 78 27 9299 1 2.92 2.7609 12.153 78 27 9308 1 2.89 2.7572 11.616 78 27 9310 1 2.99 2.6351 12.226 78 27 9311 1 2.80 2.8462 12.246 78 27 9316 1 2.88 2.8706 11.941 78 27 9317 1 2.62 2.8037 11.743 ## Starting information for simulation # 28 ## Starting information for simulation # 29 ## Starting information for simulation # 30 78 30 460 1 2.82 2.6595 11.750 78 30 461 1 2.88 2.9269 12.049 78 30 466 1 2.80 2.8575 12.203 78 30 468 1 2.86 3.0668 11.848 78 30 476 1 2.98 2.8327 11.860 78 30 1587 1 2.82 2.5874 11.629 78 30 1588 1 2.78 2.9468 11.991 78 30 1591 1 2.68 2.5925 12.548 78 30 3101 1 2.85 2.5160 12.291 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36