# Bonding information for index 446 -- PRO_2@O 0VA_12@H3O 0VA_12@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 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 446 7 8458 2 2.67 2.9455 12.725 446 7 8820 2 2.83 2.5437 13.334 446 7 8834 2 2.99 2.5935 12.731 446 7 8837 2 2.90 2.3709 12.530 446 7 8838 2 2.73 2.5348 12.208 446 7 8995 2 2.87 2.7745 12.595 446 7 8996 2 2.73 2.4697 12.408 446 7 8998 2 2.92 3.0490 12.294 446 7 8999 2 2.71 2.9636 12.099 446 7 9221 2 2.90 2.4706 12.445 446 7 9223 2 2.66 2.6833 12.219 446 7 9225 2 2.94 2.6709 13.199 446 7 9234 2 2.75 2.6107 13.268 446 7 9241 2 2.66 2.7320 12.901 446 7 9242 2 2.62 2.5248 12.734 446 7 9243 2 2.91 2.6961 12.711 446 7 9244 2 2.80 2.8894 12.797 446 7 9245 2 2.92 2.1271 12.484 446 7 9246 2 2.78 2.6993 12.042 446 7 9248 2 2.70 3.0200 11.924 446 7 9253 2 2.77 2.4771 12.773 446 7 9254 2 2.91 2.7698 13.201 446 7 9257 2 2.94 2.0894 12.955 446 7 9259 2 2.72 2.5769 12.827 446 7 9262 2 2.66 2.6332 13.457 446 7 9263 2 2.71 2.5465 13.689 446 7 9305 2 2.93 2.2810 13.203 446 7 9307 2 3.00 2.5929 13.454 446 7 9357 2 2.74 2.6881 11.852 446 7 9441 2 2.60 2.9779 11.928 446 7 9442 2 2.68 2.6388 12.366 446 7 9444 2 2.69 3.0462 13.224 446 7 9446 2 2.57 2.7922 12.980 446 7 9449 2 2.68 2.6568 13.803 446 7 9453 2 2.84 2.7472 13.357 446 7 9454 2 2.71 2.7394 13.384 446 7 9455 2 2.92 2.5588 13.537 446 7 9456 2 2.65 2.6502 12.887 446 7 9457 2 2.61 2.9948 12.839 446 7 9458 2 2.95 2.2239 13.037 446 7 9461 2 2.89 2.4272 12.800 446 7 9462 2 2.76 2.8526 12.878 446 7 9463 2 2.80 2.6395 12.779 446 7 9469 2 2.77 2.7413 12.712 446 7 9472 2 2.67 2.7969 12.896 446 7 9476 2 2.89 2.7071 12.760 446 7 9478 2 2.78 2.4773 12.761 446 7 9480 2 2.75 2.7869 12.703 446 7 9481 2 2.87 2.5633 12.534 446 7 9482 2 2.78 2.3128 12.150 446 7 9483 2 2.96 2.2882 12.215 446 7 9485 2 2.85 2.6880 11.976 446 7 9486 2 2.70 2.5106 12.164 446 7 9489 2 2.83 2.3881 12.785 446 7 9500 2 2.71 2.5962 12.665 446 7 9502 2 2.91 2.7518 12.294 446 7 9504 2 2.71 2.5519 11.654 446 7 9505 2 2.71 2.6410 12.479 446 7 9508 2 2.96 2.7054 12.335 446 7 9509 2 2.94 2.6535 12.791 446 7 9510 2 2.81 2.7279 12.897 446 7 9511 2 2.84 2.8869 12.677 446 7 9512 2 2.85 2.4975 12.503 446 7 9514 2 2.90 2.6399 13.394 446 7 9515 2 2.89 2.7338 13.417 446 7 9516 2 2.83 2.7553 13.048 446 7 9517 2 2.97 2.4636 13.053 446 7 9518 2 2.72 2.7782 12.821 446 7 9523 2 2.73 2.6066 12.447 446 7 9524 2 2.79 2.6045 12.552 446 7 9525 2 2.93 2.4645 12.657 446 7 9700 2 2.90 2.7513 13.068 446 7 9826 2 2.65 2.4945 12.279 446 7 9827 2 2.78 2.9530 12.711 446 7 9828 2 2.70 2.2495 13.919 446 7 9831 2 2.88 2.5426 12.472 446 7 9833 2 2.87 2.5330 12.344 446 7 9834 2 2.77 2.9500 12.245 446 7 9835 2 2.78 2.8027 12.328 446 7 9887 2 2.79 2.7358 12.620 446 7 9888 2 2.83 2.5279 12.055 446 7 9890 2 2.81 2.5576 12.475 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 446 12 3615 2 3.00 2.6444 12.432 446 12 3895 2 2.80 2.8830 11.805 446 12 3896 2 2.88 2.5373 11.600 446 12 3898 2 2.90 2.7700 11.131 446 12 3910 2 2.91 2.6291 12.198 446 12 3967 2 2.79 2.8827 12.315 446 12 4036 2 2.98 2.1819 12.281 446 12 4039 2 2.79 2.5392 12.478 446 12 4046 2 2.86 2.7299 13.243 446 12 4049 2 2.84 2.8494 12.835 446 12 4050 2 2.97 2.6192 12.950 446 12 5388 2 2.89 2.7404 12.179 446 12 5467 2 2.67 2.6782 11.246 446 12 5469 2 2.81 2.3990 10.530 446 12 5896 2 2.80 2.7445 11.928 446 12 5993 2 2.95 2.3687 13.242 446 12 5996 2 2.92 2.8621 12.654 446 12 5997 2 2.69 2.8739 12.858 446 12 6004 2 2.87 2.7517 12.829 446 12 6005 2 2.78 2.3392 13.322 446 12 6006 2 2.64 2.8424 12.999 446 12 6007 2 2.95 2.2162 13.262 446 12 6009 2 2.66 2.9041 13.066 446 12 6010 2 2.81 2.4954 13.400 446 12 6011 2 2.77 2.4751 12.769 446 12 6221 2 2.80 2.6269 11.780 446 12 6699 2 2.75 2.6874 10.947 446 12 6701 2 2.87 2.8931 11.010 446 12 6909 2 2.69 2.6060 12.540 446 12 7100 2 2.97 2.9455 13.953 446 12 7102 2 2.92 2.5640 13.533 446 12 7261 2 2.83 2.1992 12.321 446 12 7262 2 2.80 2.8467 11.625 446 12 7263 2 2.88 2.4790 11.770 446 12 7334 2 2.89 2.6469 12.938 446 12 7378 2 2.91 2.6372 13.136 446 12 7470 2 2.81 2.5802 13.445 446 12 7476 2 2.51 2.7858 13.005 446 12 7478 2 2.91 2.4461 13.013 446 12 7479 2 2.75 2.6466 12.930 446 12 7480 2 2.72 2.8802 12.768 446 12 7486 2 2.80 2.5963 13.126 446 12 7487 2 2.95 2.6125 12.897 446 12 7490 2 2.93 2.2826 13.295 446 12 7558 2 2.77 2.4409 13.354 446 12 7559 2 2.68 2.6069 12.962 446 12 7560 2 2.53 2.8011 13.524 446 12 7561 2 2.83 2.5992 12.820 446 12 7562 2 2.65 2.8170 12.983 446 12 7563 2 2.91 2.9518 12.667 446 12 7564 2 2.78 2.5163 12.704 446 12 7565 2 2.69 2.6990 12.353 446 12 7567 2 2.87 2.5227 12.791 446 12 7568 2 2.79 2.5293 12.572 446 12 7569 2 2.76 2.6878 12.378 446 12 7572 2 2.90 2.5778 12.513 446 12 7573 2 2.70 2.8775 12.677 446 12 7574 2 2.78 2.6332 12.402 446 12 7575 2 2.88 2.5419 13.010 446 12 7581 2 2.88 2.6070 12.609 446 12 7583 2 2.89 2.6680 12.987 446 12 7862 2 2.80 2.8312 13.383 446 12 7864 2 2.98 2.6561 13.021 446 12 7960 2 2.71 2.6583 13.350 446 12 7962 2 2.73 2.6529 13.325 446 12 7964 2 2.71 2.4936 13.626 446 12 7966 2 2.88 2.7908 13.817 446 12 7967 2 2.69 2.7703 13.755 446 12 7968 2 2.66 2.9034 13.910 446 12 8054 2 2.64 2.6113 12.954 446 12 8055 2 2.81 3.0364 12.472 446 12 8057 2 2.78 2.5260 12.528 446 12 8058 2 2.83 2.4723 11.893 446 12 8063 2 2.73 2.6716 12.255 446 12 8064 2 2.66 3.0154 12.519 446 12 8122 2 2.96 2.6257 13.293 446 12 8149 2 2.85 2.4915 13.562 446 12 8150 2 2.76 2.7560 13.562 446 12 8151 2 2.91 2.5871 13.428 446 12 8243 2 2.99 2.4401 12.002 446 12 8245 2 2.86 2.6865 12.222 446 12 8291 2 2.77 2.8554 10.921 446 12 8292 2 2.67 2.6496 10.798 446 12 8293 2 2.55 2.8495 10.788 446 12 8295 2 2.82 2.8446 10.882 446 12 8764 2 2.85 2.5385 11.496 446 12 8891 2 2.96 2.7457 13.248 446 12 8892 2 3.00 2.5030 12.991 446 12 8913 2 2.97 2.1698 12.389 446 12 9309 2 2.77 3.0293 13.456 446 12 9310 2 2.79 2.5313 13.738 446 12 9539 2 2.83 2.4994 12.359 446 12 9540 2 2.83 2.6595 12.554 446 12 9541 2 2.77 2.6214 11.978 446 12 9547 2 2.71 2.5317 12.056 446 12 9549 2 3.00 2.7618 12.175 446 12 9550 2 2.90 2.4033 12.294 446 12 9551 2 2.87 2.5479 12.713 446 12 9552 2 2.71 2.8454 12.748 446 12 9555 2 2.71 2.4603 12.279 446 12 9585 2 2.69 2.6658 12.654 446 12 9586 2 2.85 2.5636 12.606 446 12 9587 2 2.81 2.4908 12.775 446 12 9593 2 2.72 2.5293 11.905 446 12 9597 2 2.71 2.7558 12.580 446 12 9598 2 2.89 2.5541 12.469 446 12 9599 2 2.86 2.5835 12.361 446 12 9600 2 2.65 2.6363 12.511 446 12 9602 2 2.83 2.8500 12.327 446 12 9603 2 2.78 2.8572 12.776 446 12 9604 2 2.92 2.5941 13.079 446 12 9605 2 2.65 2.8000 12.859 446 12 9606 2 2.75 2.7715 13.078 446 12 9607 2 2.75 2.7614 13.206 446 12 9608 2 2.78 2.4246 13.452 446 12 9610 2 2.98 2.5183 13.636 446 12 9611 2 2.80 2.6556 13.581 446 12 9664 2 2.68 2.6716 11.318 446 12 9665 2 2.78 2.8974 11.672 446 12 9666 2 2.94 2.3352 11.073 446 12 9667 2 2.86 2.4330 10.874 446 12 9668 2 2.76 2.7506 10.816 446 12 9670 2 2.65 2.7857 10.647 446 12 9680 2 2.78 2.4372 10.768 446 12 9685 2 2.66 2.6145 12.066 446 12 9713 2 2.97 2.6934 11.291 446 12 9716 2 2.79 2.3170 10.755 446 12 9724 2 2.73 2.4006 10.885 446 12 9725 2 2.96 2.8272 11.278 446 12 9726 2 2.86 2.4942 11.279 446 12 9727 2 2.80 2.7128 11.493 446 12 9728 2 2.79 2.5952 10.819 446 12 9729 2 2.76 2.6683 10.873 446 12 9736 2 2.82 2.7019 11.300 446 12 9750 2 2.95 2.5628 12.212 446 12 9801 2 2.96 2.6147 11.985 446 12 9882 2 2.69 2.4989 11.916 446 12 9883 2 2.73 2.8608 12.363 446 12 9885 2 2.74 2.6993 12.659 446 12 9886 2 2.74 2.7666 12.217 446 12 9887 2 2.77 3.0013 12.432 446 12 9889 2 2.86 2.9276 12.757 446 12 9890 2 2.54 2.9546 12.743 446 12 9892 2 2.81 2.6881 12.494 446 12 9894 2 2.79 2.6322 12.434 446 12 9902 2 2.81 2.4876 12.754 446 12 9914 2 2.97 2.5663 12.071 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## 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 ## Starting information for simulation # 20 ## Starting information for simulation # 21 446 21 1513 2 2.97 2.5452 12.081 446 21 2441 2 2.98 2.6690 12.908 446 21 2442 2 2.87 2.7042 12.823 446 21 2470 2 2.73 2.4111 11.052 446 21 2553 2 2.67 2.5505 13.222 446 21 2555 2 2.76 2.7277 12.793 446 21 2566 2 2.98 2.6978 12.230 446 21 2568 2 2.69 2.8745 11.556 446 21 2569 2 2.95 2.7172 12.014 446 21 2570 2 2.90 2.7577 11.983 446 21 2702 2 2.93 2.8499 13.424 446 21 2703 2 2.96 2.5864 13.128 446 21 2709 2 2.92 2.5882 13.928 446 21 2711 2 2.99 2.3923 13.655 446 21 2908 2 2.87 2.9220 11.251 446 21 2909 2 2.72 2.7403 11.369 446 21 3288 2 2.76 2.4229 11.886 446 21 3350 2 2.84 2.6207 12.935 446 21 3354 2 2.80 2.6382 12.997 446 21 3355 2 2.71 2.3763 12.562 446 21 3357 2 2.78 2.7976 12.821 446 21 3358 2 2.91 2.8660 12.571 446 21 3359 2 2.73 2.8215 13.688 446 21 3360 2 2.89 2.4346 13.462 446 21 3361 2 2.94 2.4223 13.460 446 21 3362 2 2.89 2.5494 13.738 446 21 3363 2 2.77 2.6768 13.292 446 21 3488 2 2.91 2.4253 13.031 446 21 3494 2 2.82 2.6689 12.243 446 21 3499 2 2.83 2.7089 12.759 446 21 3500 2 2.71 3.0148 12.868 446 21 3501 2 2.97 2.7332 12.556 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 446 26 7736 2 2.72 2.7326 12.362 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32