# Bonding information for index 83 -- 0MA_12@O5 0MA_14@H4O 0MA_14@O4 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 83 2 1099 1 2.82 1.8099 12.730 83 2 1104 1 2.95 2.0552 13.076 83 2 7581 1 2.98 2.0723 10.375 83 2 7587 1 2.99 2.0518 10.620 83 2 7596 1 2.65 2.1105 11.021 83 2 7603 1 2.89 1.7505 11.155 83 2 7606 1 2.97 2.1175 11.945 83 2 7658 1 2.98 2.2622 10.694 83 2 7659 1 2.85 1.9302 11.294 83 2 7841 1 2.94 1.9032 11.788 83 2 7927 1 2.95 2.9554 11.811 83 2 7940 1 2.98 1.8340 10.795 83 2 7970 1 2.95 1.8256 11.675 83 2 7980 1 2.84 2.2638 12.609 83 2 8016 1 2.85 2.2311 11.292 83 2 8019 1 2.65 2.9070 10.787 83 2 8041 1 2.97 2.5491 10.069 83 2 8354 1 2.80 1.7604 12.094 83 2 8359 1 2.76 2.4671 10.943 83 2 8365 1 2.83 2.0261 9.869 83 2 8367 1 2.89 2.0493 9.806 83 2 8441 1 2.90 1.8085 10.898 83 2 8445 1 2.76 1.8662 10.413 83 2 8455 1 2.89 1.8812 10.479 83 2 8458 1 2.92 2.3318 11.031 83 2 8595 1 2.88 1.8535 11.739 83 2 8707 1 2.80 1.8331 11.936 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 83 5 4204 1 2.91 1.7543 8.180 83 5 4213 1 2.83 1.8363 8.277 83 5 4214 1 2.83 2.4212 8.443 83 5 4220 1 2.98 1.7804 8.169 83 5 4244 1 2.88 1.9844 8.376 83 5 4347 1 2.71 2.5498 8.145 83 5 4348 1 3.00 2.5609 8.828 83 5 4349 1 2.90 2.1050 8.816 83 5 4388 1 2.70 2.4277 8.400 83 5 4415 1 2.99 2.0891 7.681 83 5 4446 1 2.71 2.2358 8.123 83 5 4476 1 2.72 1.9837 7.702 83 5 4527 1 2.82 1.8079 8.788 83 5 4668 1 2.89 2.5299 8.327 83 5 4715 1 3.00 1.9626 7.988 83 5 4770 1 2.89 1.9725 9.214 83 5 4784 1 2.97 2.0118 9.041 83 5 4812 1 2.98 1.8539 8.043 83 5 4815 1 2.84 1.7488 8.331 83 5 4997 1 2.87 1.9954 11.635 83 5 4998 1 2.94 2.0932 11.775 83 5 5176 1 2.81 2.9509 11.698 83 5 5211 1 2.96 2.2876 12.907 83 5 5902 1 2.96 1.9089 11.438 83 5 5905 1 2.83 1.7651 11.896 83 5 7892 1 2.87 2.5302 11.266 83 5 7894 1 2.92 2.3559 11.651 ## Starting information for simulation # 6 83 6 3447 1 2.94 2.9266 9.270 83 6 3448 1 2.89 2.9535 8.706 83 6 3451 1 2.76 2.8486 8.884 83 6 3665 1 2.84 2.6376 10.893 83 6 3666 1 2.71 2.7745 10.927 83 6 3667 1 2.70 2.7388 10.362 83 6 3668 1 2.98 2.8577 9.693 83 6 3672 1 2.88 2.8957 9.625 83 6 3675 1 2.93 2.6633 10.628 83 6 4413 1 2.80 2.4958 9.488 83 6 4416 1 2.92 1.9427 9.194 83 6 4434 1 2.99 2.1448 9.569 83 6 4467 1 2.85 2.0449 9.533 83 6 4469 1 2.87 1.9549 9.205 83 6 4473 1 2.67 1.9255 10.386 83 6 4477 1 2.99 1.7609 9.267 83 6 4487 1 2.98 2.8024 10.838 83 6 4545 1 2.75 2.9069 10.350 83 6 4546 1 2.72 3.0232 10.493 83 6 4547 1 2.67 2.3230 10.663 83 6 4548 1 2.94 2.5290 9.910 83 6 4549 1 2.62 3.0299 10.398 83 6 4550 1 2.77 2.7145 10.214 83 6 4551 1 2.75 2.5197 10.014 83 6 4556 1 2.84 2.4832 9.945 83 6 4566 1 2.78 1.8913 9.616 83 6 4602 1 2.97 1.7582 10.273 83 6 4613 1 2.96 2.0011 10.084 83 6 4616 1 2.91 1.8224 9.639 83 6 4622 1 2.98 1.8161 9.025 83 6 4623 1 2.97 1.7641 9.368 83 6 4668 1 2.90 1.8055 8.684 83 6 4684 1 2.83 1.8011 10.160 83 6 4695 1 2.68 2.7479 8.178 83 6 4699 1 2.74 2.5962 9.466 83 6 4701 1 2.84 2.9542 8.807 83 6 4714 1 2.73 2.8331 8.951 83 6 4715 1 2.74 2.7572 9.866 83 6 4716 1 2.62 2.9378 9.115 83 6 4744 1 2.90 1.8042 9.815 83 6 4775 1 2.66 2.6410 9.640 83 6 4807 1 2.89 2.0484 8.786 83 6 4862 1 2.66 1.8942 8.031 83 6 4870 1 2.95 2.2439 9.324 83 6 5021 1 2.87 2.7917 8.848 83 6 5023 1 2.73 2.4935 8.724 83 6 5024 1 2.75 2.6054 8.548 83 6 5026 1 2.96 2.7389 9.123 83 6 5045 1 2.91 1.8112 8.871 83 6 5050 1 2.92 2.2187 9.482 83 6 5146 1 3.00 2.3381 9.852 83 6 5174 1 2.76 2.7401 8.942 83 6 5193 1 2.81 2.1258 9.808 83 6 5242 1 2.86 2.1507 10.135 83 6 5253 1 2.70 1.9453 9.960 83 6 5262 1 2.93 1.7926 8.892 83 6 5263 1 2.91 2.3818 8.233 83 6 5271 1 2.89 2.1911 9.894 83 6 5275 1 2.91 1.8679 8.834 83 6 5282 1 2.81 2.2729 8.938 83 6 5291 1 2.78 2.6227 9.468 83 6 5294 1 2.83 1.8829 9.545 83 6 5295 1 2.73 1.8567 9.457 83 6 5306 1 2.81 1.8322 9.491 83 6 5444 1 2.89 2.9914 10.166 83 6 5445 1 2.64 2.3023 10.123 83 6 5448 1 2.67 2.4739 10.097 83 6 5450 1 2.91 2.6602 9.289 83 6 5481 1 2.81 2.5760 8.825 83 6 5482 1 2.70 2.8124 8.563 83 6 5514 1 2.73 2.4481 9.778 83 6 5558 1 2.79 2.9139 9.134 83 6 5565 1 2.99 2.7696 9.022 83 6 5566 1 2.81 2.9058 8.657 83 6 5597 1 2.65 2.1305 8.639 83 6 5691 1 2.83 2.2231 9.688 83 6 5812 1 2.62 2.6411 8.658 83 6 5814 1 2.81 2.0440 9.305 83 6 5824 1 2.75 1.8139 9.945 83 6 5841 1 2.99 1.9556 10.010 83 6 5847 1 2.93 1.8759 9.460 83 6 5854 1 2.92 1.9383 9.383 83 6 5878 1 2.99 2.4483 9.337 83 6 5887 1 2.82 1.8284 9.834 83 6 5889 1 2.99 1.8423 9.186 83 6 5901 1 2.75 2.0254 8.993 83 6 5903 1 3.00 2.3397 9.440 83 6 5913 1 2.86 2.7657 9.408 83 6 8592 1 2.97 1.7695 7.766 83 6 8632 1 2.64 2.6771 7.881 83 6 8633 1 2.96 2.6491 7.627 83 6 8634 1 2.92 2.3168 7.590 83 6 8641 1 2.90 2.6577 7.635 83 6 8647 1 2.89 2.4448 8.077 83 6 8649 1 2.92 2.0559 7.700 83 6 8650 1 2.91 2.2855 8.015 83 6 8651 1 2.66 2.9858 7.450 83 6 8652 1 2.74 2.7879 8.095 83 6 8665 1 2.80 1.8040 7.963 83 6 8682 1 2.89 1.8334 7.818 83 6 8704 1 2.78 1.7517 7.937 83 6 8725 1 2.82 1.8478 8.556 83 6 8739 1 2.98 1.8125 7.984 83 6 8740 1 2.93 3.0519 7.826 83 6 9130 1 2.90 2.1646 10.500 83 6 9345 1 2.92 1.9099 9.152 83 6 9407 1 2.73 1.9216 9.322 83 6 9412 1 2.89 1.7685 9.507 83 6 9416 1 2.76 2.1968 9.369 83 6 9417 1 2.97 2.8159 10.533 83 6 9422 1 2.98 1.8958 9.345 83 6 9432 1 2.76 2.0094 8.652 83 6 9436 1 2.87 1.7955 9.639 83 6 9438 1 2.64 2.6298 9.924 83 6 9458 1 2.79 1.9992 8.942 83 6 9459 1 2.93 1.7499 8.992 83 6 9494 1 2.91 1.8632 8.937 83 6 9530 1 2.79 2.2744 8.773 83 6 9553 1 2.76 2.2622 9.719 83 6 9554 1 2.74 2.6651 8.856 83 6 9555 1 2.77 2.4979 9.522 83 6 9558 1 2.97 1.7554 9.391 83 6 9571 1 2.70 2.6121 9.833 83 6 9591 1 2.99 1.7676 8.771 83 6 9595 1 2.97 1.9646 8.381 83 6 9598 1 2.94 2.0433 8.975 83 6 9637 1 2.69 2.3918 8.911 83 6 9686 1 2.73 2.0176 9.498 83 6 9706 1 2.81 2.8531 10.657 83 6 9713 1 2.71 2.8573 10.039 83 6 9718 1 2.93 1.7810 10.304 83 6 9737 1 2.91 1.8621 10.600 83 6 9770 1 2.85 2.6091 10.866 83 6 9771 1 2.74 2.3484 10.242 83 6 9772 1 2.89 1.9257 10.821 83 6 9780 1 2.71 2.1478 10.276 83 6 9847 1 2.84 1.7588 10.532 83 6 9870 1 2.93 1.9993 10.279 83 6 9895 1 2.76 2.7952 10.156 83 6 9896 1 2.96 2.7647 10.043 83 6 9898 1 2.60 2.9285 10.783 83 6 9901 1 2.97 2.9468 10.536 83 6 9903 1 2.74 3.0632 10.714 83 6 9904 1 2.81 3.0775 10.622 83 6 9905 1 2.80 2.6853 10.714 83 6 9908 1 2.88 2.9840 10.603 83 6 9922 1 2.90 2.5391 10.640 83 6 9931 1 2.70 2.6346 10.261 83 6 9935 1 2.99 2.0729 10.667 83 6 9937 1 2.78 2.9927 10.578 83 6 9938 1 2.83 2.9828 10.797 83 6 9939 1 2.86 2.6948 10.630 83 6 9942 1 2.98 2.5303 10.290 83 6 9943 1 2.66 2.9368 10.424 83 6 9944 1 2.74 2.4564 9.975 83 6 9945 1 2.76 3.1025 10.785 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 83 11 7973 1 2.94 2.0966 12.046 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 83 14 201 1 2.74 1.9677 10.623 83 14 205 1 2.79 2.9791 10.445 ## Starting information for simulation # 15 83 15 7045 1 2.63 2.4600 11.267 83 15 7049 1 3.00 2.0108 10.473 ## Starting information for simulation # 16 83 16 3728 1 2.86 1.9565 8.139 ## 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 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 83 26 6765 1 2.79 2.0690 12.416 83 26 6771 1 2.76 2.3009 12.832 83 26 6784 1 2.96 1.9508 12.398 83 26 9810 1 2.98 3.0128 10.473 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 83 29 53 1 2.95 1.7635 13.067 83 29 684 1 2.91 2.1281 13.249 83 29 3642 1 2.82 2.5666 13.539 ## Starting information for simulation # 30 ## 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 83 36 703 1 2.68 2.8190 8.363 83 36 733 1 2.87 1.9172 8.942 83 36 751 1 2.61 2.4415 8.720 83 36 811 1 2.77 2.8061 9.372 83 36 812 1 2.73 2.5338 8.576 83 36 818 1 2.95 1.9898 8.305 83 36 840 1 2.84 2.0545 8.012 83 36 848 1 2.92 1.8952 8.084 83 36 850 1 2.79 1.9063 8.177 83 36 872 1 2.74 2.0224 8.477 83 36 910 1 2.92 1.8439 7.698 83 36 929 1 2.94 1.8264 8.207 83 36 1008 1 2.86 2.1668 8.452 83 36 1009 1 2.81 2.0737 8.997 83 36 2824 1 2.97 1.9970 10.270