# Bonding information for index 206 -- 0MA_13@O5 0MA_14@H3O 0MA_14@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 206 2 84 1 2.66 2.8755 10.615 206 2 107 1 2.70 2.8605 10.057 206 2 108 1 2.89 3.0468 10.285 206 2 109 1 2.92 2.4679 10.079 206 2 110 1 2.80 2.8548 10.109 206 2 112 1 2.87 2.8585 10.110 206 2 113 1 2.84 2.9678 10.376 206 2 115 1 2.86 2.9267 10.119 206 2 116 1 2.75 2.8550 11.611 206 2 118 1 2.94 2.6500 10.325 206 2 202 1 2.98 1.8062 10.322 206 2 203 1 2.68 2.9270 11.298 206 2 204 1 2.75 2.7281 10.318 206 2 214 1 2.61 2.6524 9.571 206 2 218 1 2.83 2.2359 9.379 206 2 224 1 2.66 3.0022 9.312 206 2 225 1 2.95 2.4955 9.639 206 2 227 1 2.69 2.8727 10.708 206 2 229 1 2.70 2.4820 10.544 206 2 230 1 2.68 2.9901 10.941 206 2 232 1 2.72 2.3230 11.956 206 2 236 1 2.82 2.8161 11.294 206 2 5933 1 2.88 3.0561 10.649 206 2 5934 1 2.93 1.7919 10.439 206 2 5935 1 2.76 2.7121 9.517 206 2 5937 1 2.79 2.5543 10.129 206 2 5938 1 2.58 2.8712 10.118 206 2 5939 1 2.74 2.7917 10.233 206 2 6353 1 2.76 2.5777 9.174 206 2 6378 1 2.74 2.8628 10.572 206 2 6379 1 2.76 2.2065 10.944 206 2 6380 1 2.99 1.8192 11.125 206 2 6381 1 2.77 2.9769 11.665 206 2 6382 1 2.72 2.6137 12.132 206 2 6895 1 2.63 1.9802 10.360 ## Starting information for simulation # 3 ## Starting information for simulation # 4 206 4 1312 1 2.98 2.8257 11.986 206 4 1324 1 2.89 2.7544 12.009 206 4 1403 1 2.71 2.3056 12.063 206 4 1405 1 2.97 1.7795 12.127 206 4 1528 1 2.95 1.7890 11.907 206 4 1565 1 2.78 2.6135 12.023 206 4 1614 1 2.77 2.7601 12.170 206 4 1645 1 2.69 2.9277 12.159 206 4 1699 1 2.94 2.3932 11.809 206 4 2396 1 2.72 2.8240 9.436 206 4 2416 1 2.78 2.5908 9.027 206 4 2761 1 2.70 2.7142 10.962 206 4 2765 1 2.78 2.7785 9.735 206 4 2767 1 2.97 2.5867 10.295 206 4 7763 1 2.70 2.7567 10.685 206 4 8753 1 2.95 2.9871 11.075 206 4 8754 1 2.75 2.4976 10.815 206 4 8756 1 2.93 2.4317 10.496 206 4 8757 1 2.59 2.9505 10.804 206 4 8758 1 2.92 2.9228 10.713 206 4 8759 1 2.80 2.7741 10.957 206 4 8773 1 2.97 2.6582 10.148 206 4 8775 1 2.99 1.9123 10.413 ## Starting information for simulation # 5 ## Starting information for simulation # 6 206 6 1227 1 2.68 2.9052 9.854 206 6 1229 1 2.75 2.2591 10.380 206 6 1230 1 2.74 2.8682 10.478 ## 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 ## Starting information for simulation # 12 206 12 2617 1 2.81 2.5637 8.729 ## Starting information for simulation # 13 206 13 5592 1 3.00 2.8509 9.537 206 13 5630 1 2.75 2.6094 9.529 206 13 5635 1 2.74 1.8029 9.846 206 13 7053 1 2.89 3.0756 9.999 206 13 7078 1 2.88 2.9174 9.823 206 13 7079 1 2.73 2.7372 9.774 206 13 7113 1 2.90 2.4151 9.875 206 13 7118 1 2.59 2.8058 10.601 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 206 16 1329 1 2.77 2.9533 8.010 206 16 1330 1 2.94 2.1040 8.070 206 16 1333 1 2.79 1.9187 8.231 206 16 1342 1 2.82 2.6622 8.309 206 16 1343 1 2.80 2.7548 8.160 206 16 1344 1 2.71 2.7160 8.353 206 16 1346 1 2.71 2.6643 7.852 206 16 1347 1 2.76 2.0327 7.854 206 16 1369 1 2.79 2.8366 8.149 206 16 1405 1 2.87 2.9688 8.103 206 16 1406 1 2.80 3.0813 8.693 206 16 1408 1 2.95 2.8066 8.234 206 16 1409 1 2.92 3.0107 8.261 206 16 1412 1 2.93 2.9623 7.990 206 16 1560 1 2.94 2.7157 6.174 206 16 1562 1 2.98 2.8742 6.045 206 16 1595 1 2.81 3.1090 6.402 206 16 1596 1 2.77 2.5166 6.185 206 16 1598 1 2.95 2.7074 6.011 206 16 1600 1 2.86 2.7662 6.290 206 16 1601 1 2.85 2.8798 6.489 206 16 1603 1 2.73 2.8339 6.571 206 16 1604 1 2.89 2.1148 6.483 206 16 1719 1 2.60 2.8623 6.494 206 16 1720 1 2.87 2.7153 6.557 206 16 1721 1 2.97 2.9857 6.703 206 16 1722 1 2.70 2.6914 6.477 206 16 1723 1 3.00 2.9098 6.405 206 16 1724 1 2.85 2.9644 6.304 206 16 1725 1 2.99 2.4509 6.178 206 16 1727 1 2.83 2.6352 6.469 206 16 1730 1 2.78 2.8575 6.470 206 16 1731 1 2.97 2.8011 6.470 206 16 1734 1 2.99 2.0072 6.342 206 16 1756 1 2.72 2.6123 6.395 206 16 1757 1 2.67 2.7303 6.349 206 16 1758 1 2.89 2.7694 6.400 206 16 1765 1 2.79 2.8560 6.432 206 16 1766 1 2.94 1.8196 6.629 206 16 1782 1 2.75 2.1247 6.434 206 16 1783 1 2.87 2.8848 6.631 206 16 1784 1 2.95 2.1510 6.324 206 16 1785 1 2.91 2.6732 6.549 206 16 1786 1 2.91 2.3380 6.481 206 16 1787 1 2.81 1.9009 6.786 206 16 1791 1 2.97 1.8743 6.608 206 16 1793 1 2.92 2.7120 6.636 206 16 1803 1 2.75 2.8869 6.228 206 16 1866 1 2.82 2.3104 7.000 206 16 1870 1 2.83 2.6440 6.325 206 16 1871 1 2.89 2.8665 6.215 206 16 1872 1 2.66 2.4645 6.045 206 16 1875 1 2.81 2.7014 6.371 206 16 1878 1 2.65 2.5579 6.403 206 16 1879 1 2.50 2.4086 6.130 206 16 1881 1 2.62 3.0642 6.420 206 16 1882 1 2.79 2.5766 6.496 206 16 1884 1 2.72 1.8906 6.382 206 16 1885 1 2.92 2.6510 6.431 206 16 1886 1 2.62 2.7470 6.368 ## Starting information for simulation # 17 ## Starting information for simulation # 18 206 18 18 1 2.85 1.7488 8.612 206 18 548 1 2.95 2.5642 8.123 206 18 551 1 2.76 2.8087 8.171 206 18 552 1 2.75 2.8087 8.510 206 18 553 1 2.67 2.5862 9.983 ## Starting information for simulation # 19 206 19 4497 1 2.87 2.5003 10.637 206 19 4514 1 2.75 3.0000 10.432 206 19 4518 1 2.94 2.6236 10.472 ## Starting information for simulation # 20 ## Starting information for simulation # 21 206 21 600 1 2.73 2.7712 8.400 206 21 788 1 2.49 2.9302 9.279 206 21 809 1 2.80 2.8260 7.275 206 21 844 1 2.90 2.7843 7.100 206 21 934 1 2.87 2.1771 7.728 206 21 1137 1 2.76 2.6734 8.746 206 21 1552 1 2.66 2.5210 8.435 206 21 1553 1 2.58 2.4451 7.980 206 21 1600 1 2.99 2.9146 8.461 206 21 1771 1 2.75 2.6166 7.422 206 21 1976 1 2.99 2.3712 7.201 206 21 1977 1 2.71 2.7463 7.575 206 21 1982 1 2.80 2.5822 7.111 206 21 1983 1 2.81 2.8131 7.519 206 21 2016 1 2.79 1.9263 7.359 206 21 2298 1 2.99 2.9967 8.558 206 21 2306 1 2.84 2.8179 8.332 206 21 2699 1 2.99 2.7505 7.450 206 21 2701 1 2.98 2.5108 7.488 206 21 2741 1 2.81 2.3569 7.286 206 21 2824 1 2.99 2.4875 7.743 206 21 2870 1 2.71 2.6995 7.084 206 21 2871 1 2.76 2.5026 7.337 206 21 2873 1 2.51 2.3747 7.075 206 21 3018 1 2.98 2.5112 8.732 206 21 3043 1 2.89 1.9178 8.228 206 21 3125 1 2.93 3.0365 8.532 206 21 3420 1 2.91 2.1162 6.976 206 21 3421 1 2.84 2.7725 6.485 206 21 3444 1 2.82 1.9433 6.270 206 21 3607 1 2.80 2.9128 6.832 206 21 3608 1 2.86 3.0041 6.349 206 21 3621 1 2.85 2.4260 6.348 206 21 6618 1 2.63 2.6749 8.826 206 21 6620 1 2.73 2.6080 8.054 206 21 6732 1 2.61 2.8132 9.462 206 21 6733 1 2.79 2.5593 9.635 206 21 6744 1 2.89 2.8719 9.019 206 21 6938 1 2.92 2.9762 9.896 206 21 6944 1 2.95 2.6230 8.402 206 21 7185 1 2.76 2.8673 9.554 206 21 7218 1 2.96 2.3688 8.614 206 21 7219 1 2.97 2.3835 9.921 206 21 7248 1 2.87 1.8775 9.342 206 21 7249 1 2.93 2.6637 8.893 206 21 7308 1 2.87 2.4382 9.979 206 21 7424 1 2.85 2.6608 9.266 206 21 7513 1 2.84 3.0323 9.946 206 21 7644 1 2.68 2.8075 8.713 206 21 7687 1 2.91 2.8120 8.856 206 21 7808 1 2.93 2.6881 9.751 206 21 7810 1 2.94 2.6749 9.611 206 21 7812 1 2.80 2.6524 9.735 206 21 7813 1 2.79 2.9506 9.867 206 21 7814 1 2.84 2.6883 9.442 206 21 7820 1 2.60 2.8366 9.991 206 21 7821 1 2.70 2.6885 10.248 206 21 7866 1 2.75 2.5467 9.390 206 21 7867 1 2.67 2.8008 9.084 206 21 7995 1 2.75 2.6577 10.177 206 21 7996 1 2.88 2.6337 10.889 206 21 8039 1 2.60 2.7619 9.813 206 21 8040 1 2.64 2.9982 9.754 206 21 8041 1 2.82 2.9073 9.957 206 21 8323 1 2.80 3.0145 9.596 206 21 8413 1 2.72 3.0691 8.861 206 21 8586 1 2.82 2.5291 8.808 206 21 8601 1 2.88 2.7505 9.021 206 21 9204 1 2.83 2.8442 8.315 206 21 9390 1 2.98 3.0628 7.507 206 21 9391 1 2.80 2.9532 9.347 206 21 9457 1 2.85 2.0806 9.141 206 21 9478 1 2.76 2.4003 8.049 206 21 9482 1 2.65 2.9951 8.069 206 21 9483 1 2.96 3.0032 8.576 206 21 9490 1 2.87 2.9272 8.462 206 21 9493 1 2.81 2.9184 8.465 206 21 9494 1 2.66 2.9968 8.478 206 21 9495 1 2.92 2.3634 8.834 206 21 9496 1 2.60 2.2525 7.408 206 21 9498 1 2.92 2.8484 8.550 206 21 9500 1 2.79 2.0365 8.735 206 21 9652 1 2.84 2.8177 8.309 206 21 9682 1 2.93 2.5990 8.443 206 21 9687 1 2.96 1.9463 8.303 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 206 24 6651 1 2.63 2.7095 10.712 206 24 6653 1 2.74 2.9336 11.592 206 24 6669 1 2.82 2.9581 11.536 206 24 6673 1 2.84 2.6359 12.719 206 24 6675 1 2.78 2.3387 12.293 206 24 6676 1 2.62 3.0113 12.190 206 24 9880 1 2.91 2.0813 9.711 206 24 9881 1 2.83 2.7158 9.115 206 24 9885 1 2.88 2.6988 9.815 206 24 9890 1 2.83 2.9764 11.706 ## Starting information for simulation # 25 206 25 6247 1 2.70 2.2734 10.779 206 25 6250 1 2.87 2.5759 10.954 206 25 6328 1 2.69 2.2377 10.344 206 25 6363 1 2.73 2.9679 10.522 206 25 7541 1 2.89 2.7025 10.685 206 25 7554 1 2.93 2.9714 10.782 206 25 8177 1 2.90 2.9163 11.935 ## Starting information for simulation # 26 206 26 514 1 2.63 2.9757 9.125 ## Starting information for simulation # 27 206 27 2404 1 2.98 2.7234 10.221 206 27 2447 1 2.82 2.6084 10.618 206 27 2554 1 2.73 2.5625 11.747 206 27 3204 1 2.90 2.2030 11.171 206 27 3205 1 2.94 2.5065 11.146 206 27 4268 1 2.79 2.9104 10.528 206 27 4269 1 2.83 2.9164 10.588 206 27 4320 1 2.84 2.8082 10.497 206 27 6205 1 2.82 2.6370 9.050 206 27 6229 1 2.86 2.6802 9.905 206 27 6232 1 2.60 2.9603 9.212 206 27 6392 1 2.76 2.9026 10.558 206 27 7860 1 2.98 2.6933 10.094 206 27 7872 1 2.88 2.2202 10.861 206 27 7886 1 2.75 2.3497 10.865 206 27 8722 1 2.99 1.7865 13.302 ## Starting information for simulation # 28 ## Starting information for simulation # 29 ## Starting information for simulation # 30 206 30 4902 1 2.84 3.0687 10.613 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 206 33 1013 1 2.91 2.0794 11.746 206 33 4887 1 2.79 2.6518 12.123 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36 206 36 5150 1 2.79 2.5143 11.153 206 36 5732 1 2.98 2.9202 11.757 206 36 5733 1 2.72 2.9246 11.882 206 36 5859 1 2.89 2.9769 10.503