# Bonding information for index 426 -- 0MA_15@O4 0MA_13@H4O 0MA_13@O4 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 ## Starting information for simulation # 3 426 3 5926 1 2.73 2.7965 10.836 426 3 5931 1 2.96 2.6596 9.114 426 3 5950 1 2.82 2.5931 9.865 426 3 6096 1 2.49 2.8354 10.830 426 3 6097 1 2.76 3.0662 10.964 426 3 6148 1 2.55 2.7780 10.238 426 3 6149 1 2.81 2.6583 10.010 426 3 6150 1 2.63 2.4761 9.124 426 3 6151 1 2.91 2.9007 9.524 426 3 6152 1 2.69 2.7773 9.664 426 3 6168 1 2.83 2.2090 9.880 426 3 6188 1 2.75 2.6735 9.963 426 3 6189 1 2.60 2.9231 9.708 426 3 6190 1 2.81 2.8455 9.880 426 3 6192 1 2.79 3.0403 10.611 426 3 6193 1 2.97 2.8406 10.853 426 3 6205 1 2.78 2.7650 11.452 426 3 6206 1 2.56 2.6422 11.250 426 3 6207 1 2.63 2.9790 11.378 426 3 6208 1 2.66 2.8994 11.469 426 3 6209 1 2.88 2.8981 11.203 426 3 6211 1 2.68 2.9254 10.974 426 3 6212 1 2.82 2.5738 10.860 426 3 6213 1 2.67 2.7696 10.891 426 3 6214 1 2.70 3.0699 10.748 426 3 6215 1 2.70 2.7114 10.913 426 3 6216 1 2.70 2.8982 11.136 426 3 6217 1 2.81 2.2877 10.266 426 3 6219 1 2.83 2.9219 9.798 426 3 6220 1 2.69 3.1096 10.283 426 3 6221 1 2.80 2.9355 10.284 426 3 6223 1 2.68 3.1306 10.817 426 3 6224 1 2.59 2.9786 10.775 426 3 6225 1 2.67 2.8164 10.925 426 3 6226 1 2.71 2.7293 10.620 426 3 6227 1 2.66 2.7299 10.927 426 3 6228 1 2.90 2.7928 11.288 426 3 6230 1 2.88 3.0243 10.205 426 3 6231 1 2.78 2.9771 10.944 426 3 6232 1 2.67 2.8066 10.742 426 3 6233 1 2.79 3.0955 10.430 426 3 6234 1 2.88 3.0441 10.120 426 3 6235 1 2.82 2.9260 10.789 426 3 6244 1 2.83 2.8056 10.304 426 3 6245 1 2.84 2.9867 10.245 426 3 6246 1 2.86 2.6450 10.602 426 3 6247 1 2.91 2.4311 10.377 426 3 6248 1 2.70 2.9331 10.740 426 3 6250 1 2.67 2.9600 10.486 426 3 6251 1 2.56 2.9665 10.509 426 3 6252 1 3.00 2.5715 10.119 426 3 6253 1 2.87 2.8285 10.143 426 3 6254 1 2.73 2.6712 10.591 426 3 6255 1 2.79 2.8785 10.237 426 3 6256 1 2.73 3.0387 9.782 426 3 6257 1 2.83 2.9501 10.258 426 3 6258 1 2.75 2.9084 9.960 426 3 6259 1 2.76 2.7863 10.270 426 3 6262 1 2.87 2.9724 9.971 426 3 6263 1 2.63 2.7380 10.143 426 3 6264 1 2.59 2.8206 10.118 426 3 6265 1 2.82 2.9645 9.804 426 3 6266 1 2.60 2.9909 10.403 426 3 6267 1 2.63 2.8073 10.269 426 3 6268 1 2.66 2.8726 9.430 426 3 6297 1 2.64 2.9894 10.078 426 3 6298 1 2.98 2.0359 10.828 426 3 6301 1 2.94 2.6258 10.452 426 3 6303 1 2.73 2.7621 10.697 426 3 6304 1 2.89 2.9265 10.454 426 3 6306 1 2.75 2.7232 11.335 426 3 6307 1 2.72 3.0404 11.668 426 3 6308 1 2.74 2.5369 11.469 426 3 6309 1 2.64 3.0710 11.501 426 3 6310 1 2.70 2.7800 11.426 426 3 6311 1 2.88 3.0356 10.474 426 3 6313 1 2.71 3.0417 10.163 426 3 6339 1 2.92 2.7504 10.513 426 3 6340 1 2.70 2.7335 10.429 426 3 6441 1 2.88 2.7268 11.321 426 3 6442 1 2.92 3.0734 11.982 426 3 6443 1 2.67 2.9742 11.133 426 3 6444 1 2.98 2.5924 11.229 426 3 6593 1 2.85 2.9321 11.019 426 3 6594 1 2.73 2.6032 11.177 426 3 6696 1 2.66 3.0314 10.699 426 3 6697 1 2.69 3.0220 10.624 426 3 6698 1 2.79 2.4842 10.259 426 3 6719 1 2.77 2.8162 9.725 426 3 6720 1 2.72 2.8756 9.685 426 3 6721 1 2.77 3.0231 9.723 426 3 6722 1 2.63 2.7631 10.071 426 3 6734 1 2.93 2.9165 10.531 426 3 7056 1 2.88 1.8167 9.814 426 3 7174 1 2.87 2.8557 11.128 426 3 7175 1 2.99 2.6551 11.568 426 3 7374 1 2.70 2.7248 10.715 426 3 7375 1 2.77 2.7200 10.291 426 3 7376 1 2.63 2.9176 10.264 426 3 7377 1 2.91 2.8883 10.135 426 3 7378 1 2.59 3.0377 10.638 426 3 7379 1 2.71 2.7924 10.287 426 3 7380 1 2.59 2.7608 9.703 426 3 7381 1 2.62 3.0907 10.119 426 3 7382 1 2.88 2.8180 10.390 426 3 7383 1 2.71 2.9099 9.903 426 3 7384 1 2.95 2.9124 10.285 426 3 7480 1 2.78 1.7648 9.315 426 3 7574 1 2.58 2.3730 8.470 426 3 7736 1 2.99 2.1648 8.797 426 3 7805 1 2.73 3.0045 10.432 426 3 7857 1 2.78 2.9238 8.446 426 3 7858 1 2.60 2.5730 8.710 426 3 7859 1 2.85 2.7360 9.003 426 3 7860 1 2.68 2.9241 8.818 426 3 7884 1 2.89 2.5281 8.904 426 3 7885 1 2.77 2.8595 8.703 426 3 7887 1 2.82 2.6206 9.903 426 3 8576 1 2.80 2.9167 10.690 426 3 8588 1 2.83 2.8598 10.496 426 3 8589 1 2.65 2.6394 10.183 426 3 8590 1 2.58 2.9826 10.338 426 3 8619 1 2.74 2.7803 10.711 426 3 9055 1 2.68 2.9543 11.248 426 3 9056 1 2.79 2.9884 11.547 426 3 9057 1 2.93 2.8656 11.199 426 3 9308 1 2.79 3.1189 10.169 426 3 9309 1 2.61 2.8068 10.832 426 3 9310 1 2.71 2.7394 10.644 426 3 9660 1 2.63 2.6060 12.082 426 3 9661 1 2.78 2.8975 11.749 426 3 9782 1 2.97 2.5452 11.088 426 3 9791 1 2.75 2.7920 10.688 426 3 9818 1 2.65 2.9436 11.192 426 3 9819 1 2.98 2.4866 11.674 426 3 9820 1 2.86 2.8989 11.723 426 3 9821 1 2.94 2.7949 11.318 426 3 9822 1 2.94 2.4586 11.586 426 3 9824 1 2.79 2.7983 11.412 426 3 9825 1 2.55 2.6591 11.210 ## Starting information for simulation # 4 426 4 7656 1 2.79 2.5708 10.918 ## Starting information for simulation # 5 426 5 5245 1 2.94 2.6810 11.712 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 426 11 729 1 2.67 2.7754 10.928 426 11 730 1 2.78 3.0159 11.013 426 11 732 1 2.88 2.6543 11.171 426 11 733 1 2.65 2.9552 10.876 426 11 736 1 2.81 2.6404 11.309 426 11 737 1 2.58 2.9181 10.841 426 11 738 1 2.74 2.9581 11.484 426 11 739 1 2.90 2.7033 10.958 426 11 740 1 2.72 2.9482 11.177 426 11 741 1 2.78 2.8116 10.992 426 11 743 1 2.69 3.0082 11.321 426 11 744 1 2.66 2.9163 11.219 426 11 750 1 2.71 2.8206 11.492 426 11 751 1 2.64 2.8648 11.668 426 11 753 1 2.77 2.9870 12.037 426 11 754 1 2.71 3.0190 12.015 426 11 755 1 2.86 3.0575 12.087 426 11 756 1 2.97 3.0439 12.284 426 11 758 1 3.00 2.7436 12.110 426 11 759 1 2.69 2.7873 12.108 426 11 760 1 2.79 2.8870 11.844 426 11 761 1 2.80 2.5276 12.546 426 11 764 1 2.70 3.1122 11.385 426 11 765 1 2.74 2.6261 11.867 426 11 766 1 2.88 3.0394 11.620 426 11 1676 1 2.98 2.2574 11.864 426 11 6611 1 3.00 2.5102 12.750 426 11 6613 1 2.92 3.0050 12.584 ## Starting information for simulation # 12 ## Starting information for simulation # 13 426 13 8669 1 2.75 2.2983 10.771 ## 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 ## Starting information for simulation # 22 426 22 344 1 2.76 3.0231 13.480 426 22 345 1 2.69 2.7926 12.581 426 22 346 1 2.82 2.9371 12.718 426 22 347 1 2.68 3.0987 12.996 426 22 348 1 2.79 2.9748 12.714 426 22 349 1 2.79 2.8250 12.381 426 22 350 1 2.63 3.0417 12.679 426 22 351 1 2.74 3.0542 12.778 426 22 352 1 2.65 2.6796 13.446 426 22 353 1 2.93 2.9886 12.469 426 22 354 1 2.60 2.9404 12.801 426 22 355 1 2.83 2.8127 12.122 426 22 356 1 2.83 2.7817 12.387 426 22 357 1 2.89 2.8379 12.372 426 22 358 1 2.76 3.0874 12.216 426 22 359 1 2.68 3.0502 11.996 426 22 2053 1 2.72 2.9896 12.217 426 22 2054 1 2.75 2.7595 12.277 426 22 2154 1 2.72 2.4293 12.117 426 22 2155 1 2.70 2.8077 12.429 426 22 2156 1 2.85 2.9443 12.137 426 22 2157 1 2.93 2.5091 11.890 426 22 2158 1 2.69 2.9546 12.245 426 22 2159 1 2.70 2.6786 12.550 426 22 2160 1 2.81 2.8753 12.114 426 22 2161 1 2.71 2.6958 12.130 426 22 2162 1 2.82 3.0017 12.731 426 22 2163 1 2.72 3.0717 12.591 426 22 2164 1 2.80 2.8517 12.340 426 22 2464 1 2.94 1.8119 12.421 ## Starting information for simulation # 23 ## Starting information for simulation # 24 426 24 3968 1 2.92 2.1870 11.563 426 24 4340 1 2.82 1.8796 12.224 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 426 27 271 1 2.63 2.9135 11.631 ## Starting information for simulation # 28 426 28 143 1 2.84 2.0121 12.875 426 28 369 1 2.87 2.8038 11.937 426 28 370 1 2.75 2.8591 11.954 426 28 371 1 2.76 3.1061 11.474 426 28 372 1 2.77 2.5600 12.296 426 28 373 1 2.71 2.9284 12.731 426 28 374 1 2.72 2.9304 12.230 426 28 1620 1 2.90 2.5618 12.404 426 28 1630 1 2.73 2.6507 12.756 426 28 1712 1 2.74 2.8058 13.401 426 28 1713 1 2.74 2.8197 12.961 426 28 1714 1 2.65 2.7350 13.156 426 28 1715 1 2.75 2.3847 13.353 426 28 1716 1 2.89 2.7440 13.238 426 28 1717 1 2.82 2.7678 12.894 426 28 1719 1 2.84 2.0288 13.037 426 28 1721 1 2.94 2.5305 12.918 426 28 1723 1 2.64 2.3869 13.032 426 28 1725 1 2.91 2.5510 12.705 426 28 1727 1 2.99 2.5737 13.046 426 28 1728 1 2.98 2.3675 12.937 426 28 1731 1 2.95 2.5011 12.812 426 28 1771 1 2.76 2.9902 13.077 426 28 1772 1 2.67 2.6351 12.795 426 28 1773 1 2.79 2.8546 12.827 426 28 1774 1 2.68 3.0600 13.217 426 28 1775 1 2.81 2.9231 12.625 426 28 1776 1 2.65 2.9126 13.014 426 28 1777 1 2.70 2.7765 13.408 426 28 1779 1 2.91 2.7213 12.836 426 28 1780 1 2.65 2.6926 12.540 426 28 1781 1 2.89 3.0785 12.652 426 28 1782 1 2.66 2.9018 12.480 426 28 1783 1 2.63 3.0597 12.718 426 28 1784 1 2.73 2.8091 12.760 426 28 1785 1 2.82 2.9733 12.447 426 28 1786 1 2.68 2.9946 12.773 426 28 1787 1 2.71 2.8484 12.533 426 28 2045 1 2.89 3.1174 12.385 426 28 2046 1 2.69 2.9781 12.174 426 28 2047 1 2.63 2.8953 12.751 426 28 2048 1 2.85 2.9734 12.131 426 28 2049 1 2.53 2.9699 12.090 426 28 2050 1 2.79 3.0414 12.105 426 28 2051 1 2.71 2.8753 11.897 426 28 2052 1 2.85 3.0106 12.177 426 28 2053 1 2.62 2.8698 12.237 426 28 2054 1 2.80 2.9593 12.119 426 28 4530 1 2.73 2.7894 10.077 426 28 4531 1 2.63 2.9228 10.040 426 28 4532 1 2.77 2.9210 10.317 426 28 4533 1 2.80 2.7458 9.917 426 28 5203 1 2.70 2.9246 9.696 426 28 5204 1 2.96 2.7367 10.332 426 28 5205 1 2.95 2.9357 9.900 426 28 8737 1 3.00 3.1165 12.016 426 28 8738 1 2.75 2.6214 11.961 426 28 8739 1 2.72 2.9286 11.071 426 28 8740 1 2.87 2.8606 11.286 426 28 8741 1 2.59 2.9206 12.008 426 28 8742 1 2.74 3.0044 11.435 426 28 8743 1 2.89 2.9730 11.787 426 28 8744 1 2.75 2.9144 11.826 426 28 8745 1 2.78 2.9544 11.930 426 28 8746 1 2.82 2.9390 11.372 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 426 31 377 1 2.81 2.9790 10.359 426 31 378 1 2.76 3.0074 10.763 426 31 432 1 2.61 2.6184 9.646 426 31 436 1 2.64 2.8089 9.087 426 31 437 1 2.76 2.8473 9.439 426 31 438 1 2.85 3.0154 9.731 426 31 439 1 2.68 2.8454 9.728 426 31 529 1 2.68 2.9034 9.673 426 31 530 1 2.72 2.6766 10.121 426 31 1212 1 2.86 2.9254 9.874 426 31 1213 1 2.94 2.5351 10.018 426 31 1214 1 2.61 2.7619 10.650 426 31 1215 1 2.72 2.8908 10.583 426 31 1515 1 2.95 2.6250 10.938 426 31 1516 1 2.89 3.0082 11.460 426 31 1540 1 2.76 2.6057 10.959 426 31 1650 1 2.67 2.9653 11.019 426 31 1651 1 2.86 3.0018 11.202 426 31 1652 1 2.57 2.8513 11.421 426 31 1653 1 2.82 2.7779 10.881 426 31 1654 1 2.86 3.1373 10.677 426 31 1703 1 2.77 2.5688 10.450 426 31 1916 1 2.92 2.8359 10.425 426 31 1917 1 2.69 3.0413 9.969 426 31 1918 1 2.71 2.7073 10.148 426 31 1919 1 2.59 2.8800 9.200 426 31 1920 1 2.72 2.9049 9.946 426 31 1921 1 2.64 2.8999 10.171 426 31 1932 1 2.85 2.8382 9.343 426 31 1935 1 2.64 2.3956 8.977 426 31 1936 1 2.80 3.0153 9.535 426 31 1982 1 2.64 2.9897 10.917 426 31 1987 1 2.64 2.7802 9.043 426 31 1988 1 2.80 2.9517 9.575 426 31 1989 1 2.77 3.0277 9.671 426 31 1990 1 2.68 2.9086 8.940 426 31 1991 1 2.64 2.7364 9.281 426 31 2144 1 2.75 2.7955 10.771 426 31 2145 1 2.74 3.0583 10.708 426 31 2146 1 2.64 2.4649 10.981 426 31 2147 1 2.58 2.9516 11.282 426 31 2151 1 2.68 2.9610 11.372 426 31 2153 1 2.74 3.0651 10.726 426 31 2154 1 2.65 2.9116 10.641 426 31 2155 1 2.70 3.0307 10.179 426 31 2156 1 2.76 2.9679 10.184 426 31 2196 1 2.68 2.7149 10.082 426 31 2197 1 2.72 2.9487 10.564 426 31 2198 1 2.73 2.7084 10.205 426 31 2596 1 2.71 2.9398 10.695 426 31 2597 1 2.77 2.6278 9.862 426 31 2598 1 2.74 2.7542 10.513 426 31 2608 1 2.98 1.8842 10.726 426 31 2609 1 2.78 3.0122 10.493 426 31 3555 1 2.91 3.0019 11.811 426 31 3556 1 2.93 2.9644 12.012 426 31 3557 1 2.66 2.9550 11.681 426 31 3558 1 2.84 2.6092 11.418 426 31 3559 1 2.80 2.9207 11.728 426 31 3560 1 2.65 2.9229 11.729 426 31 3561 1 2.63 2.9921 12.222 426 31 3562 1 2.79 2.6359 11.978 426 31 3563 1 2.84 3.0740 12.268 426 31 3829 1 2.66 2.8647 11.829 426 31 7841 1 2.73 2.9073 13.265 426 31 7842 1 2.83 2.8095 13.056 426 31 7843 1 2.54 2.9708 12.941 426 31 7844 1 2.89 2.7484 12.765 426 31 7845 1 2.63 3.1119 12.627 426 31 7847 1 2.76 2.9590 12.600 426 31 7848 1 2.78 2.8349 12.772 426 31 7849 1 2.68 2.5511 12.842 426 31 7850 1 2.84 2.8001 12.836 426 31 9924 1 2.68 2.5508 10.996 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 426 35 1832 1 2.66 2.6335 12.508 426 35 1833 1 2.80 3.0839 12.837 426 35 1834 1 2.72 2.9129 12.842 426 35 1835 1 2.72 2.9865 13.049 426 35 1838 1 2.76 3.0088 12.762 426 35 1839 1 2.84 2.7508 12.602 426 35 1840 1 2.69 3.0404 12.537 426 35 1841 1 2.71 2.8685 12.905 426 35 1842 1 2.75 2.9637 12.755 426 35 1843 1 2.87 2.2083 12.984 426 35 2665 1 2.93 1.7913 12.692 ## Starting information for simulation # 36