# Bonding information for index 355 -- 0MA_14@O6 0MA_15@H3O 0MA_15@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 355 2 472 1 2.89 2.1303 9.767 355 2 473 1 2.86 1.9814 9.849 355 2 478 1 2.76 2.3846 10.078 355 2 479 1 2.79 1.8814 10.620 355 2 481 1 2.88 1.8225 10.152 355 2 5936 1 2.92 2.2964 9.817 355 2 6310 1 2.94 2.0038 9.266 355 2 6311 1 2.65 2.4848 9.179 355 2 8325 1 2.66 2.9784 11.968 355 2 8326 1 2.94 2.9388 12.529 355 2 8327 1 2.76 2.6276 11.977 355 2 8328 1 2.69 2.7116 11.484 355 2 8329 1 2.60 2.7710 12.423 355 2 8330 1 2.92 3.0576 11.784 355 2 8331 1 2.85 2.6952 12.140 355 2 8337 1 2.80 2.8406 10.906 355 2 8353 1 2.86 2.5262 11.384 355 2 8354 1 2.68 2.9243 12.094 355 2 8355 1 2.79 2.5011 11.610 355 2 8356 1 2.61 2.8361 11.318 355 2 8357 1 2.79 3.0245 10.809 355 2 8359 1 2.81 2.9688 10.943 355 2 8362 1 2.67 2.5373 10.065 ## Starting information for simulation # 3 355 3 1385 1 2.79 2.2687 11.399 355 3 1386 1 3.00 2.6579 10.489 355 3 1387 1 2.85 2.0139 10.353 355 3 1389 1 2.63 2.6550 11.155 355 3 1390 1 2.78 2.6424 10.400 355 3 1391 1 2.84 2.8902 10.294 355 3 1392 1 2.66 2.9017 10.207 355 3 1393 1 2.79 2.6872 10.980 355 3 1397 1 2.99 2.3904 11.661 355 3 1398 1 2.89 2.8877 11.065 355 3 1402 1 2.93 2.4110 11.015 355 3 4307 1 2.78 3.0760 11.097 355 3 4310 1 2.77 2.4227 11.045 355 3 4317 1 2.81 3.0680 11.744 355 3 4319 1 2.88 2.4574 12.599 355 3 4320 1 2.80 3.0405 11.868 355 3 4321 1 2.57 2.6572 11.838 355 3 4322 1 2.97 2.8967 10.994 355 3 4323 1 2.77 3.0027 11.409 355 3 4324 1 2.57 2.8249 12.197 355 3 4325 1 2.62 2.8577 11.924 355 3 4953 1 2.76 2.8638 12.677 355 3 4954 1 2.56 2.8649 12.626 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 355 6 278 1 2.76 2.3706 12.081 355 6 284 1 2.66 2.5940 11.840 355 6 285 1 2.58 2.9970 11.911 355 6 319 1 2.95 2.8591 12.425 355 6 2841 1 2.74 2.2386 9.766 355 6 2844 1 2.86 2.5429 9.991 355 6 2845 1 2.81 2.6480 10.561 ## Starting information for simulation # 7 355 7 8123 1 3.00 2.4481 10.292 355 7 8126 1 2.95 2.8092 10.478 355 7 8127 1 2.91 2.6389 10.253 355 7 8180 1 2.89 2.4375 12.224 355 7 8212 1 2.97 2.5244 11.285 355 7 8426 1 2.91 2.4491 11.220 355 7 8430 1 2.70 2.7936 11.128 355 7 8618 1 2.77 2.2713 9.964 355 7 8619 1 2.83 2.7253 9.909 355 7 8620 1 2.97 2.2500 10.250 355 7 8621 1 2.77 3.0135 9.964 355 7 8622 1 2.88 2.7341 10.450 355 7 8623 1 2.71 2.6244 10.357 355 7 8714 1 2.96 2.9191 10.977 355 7 8716 1 2.71 3.0666 10.667 355 7 8717 1 2.92 2.9381 10.982 355 7 8718 1 2.97 2.6171 10.924 355 7 8742 1 2.95 2.8645 11.130 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 355 10 8092 1 2.78 2.8839 9.096 355 10 8093 1 2.94 2.4612 8.638 355 10 8094 1 2.85 2.3909 8.131 355 10 8107 1 2.74 2.7315 9.923 355 10 8109 1 2.92 2.7318 9.298 355 10 8132 1 2.68 2.4369 7.692 355 10 8133 1 2.67 2.0436 7.449 355 10 8150 1 2.99 2.8713 9.109 355 10 8159 1 2.99 1.9209 8.857 355 10 8167 1 2.88 1.9170 8.632 355 10 8169 1 3.00 2.3830 7.867 355 10 8172 1 2.81 2.5755 8.262 355 10 8175 1 2.75 2.8707 8.005 355 10 8176 1 2.77 2.5005 8.444 355 10 8179 1 2.76 2.8502 8.469 355 10 8180 1 2.69 3.0512 8.611 355 10 8181 1 2.80 2.6859 8.374 355 10 8182 1 2.87 2.6216 8.313 355 10 8183 1 2.91 2.9274 8.955 355 10 8188 1 2.84 2.4516 8.487 355 10 8189 1 2.82 2.7184 7.954 355 10 8190 1 2.66 2.6965 7.540 355 10 8191 1 2.62 3.0212 7.945 355 10 8192 1 2.78 2.6802 7.997 355 10 8194 1 2.80 2.8072 7.699 355 10 8198 1 2.80 2.2849 6.589 355 10 8200 1 2.83 2.2459 7.241 355 10 8206 1 2.90 2.4564 7.202 355 10 8207 1 2.76 2.8544 6.969 355 10 8208 1 2.87 2.7166 6.719 355 10 8211 1 2.85 2.4118 6.569 355 10 8212 1 2.87 2.5316 7.063 355 10 8214 1 2.90 2.3974 7.566 355 10 8215 1 2.95 2.3000 7.234 355 10 8216 1 2.75 2.6630 7.475 355 10 8218 1 2.77 2.5248 7.129 355 10 8219 1 2.88 2.9000 6.750 355 10 8224 1 2.85 2.7349 6.974 ## Starting information for simulation # 11 355 11 2651 1 2.77 2.8720 12.717 355 11 2652 1 2.80 2.7137 12.998 355 11 5287 1 2.97 2.6323 11.762 355 11 5325 1 2.73 2.8438 10.628 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 355 15 1655 1 2.79 2.6578 9.925 355 15 4091 1 2.77 2.2428 9.806 355 15 8881 1 2.89 1.8608 12.187 355 15 8889 1 2.90 2.6544 10.605 355 15 8902 1 2.82 2.7225 10.884 355 15 8904 1 2.75 3.0273 11.535 355 15 8905 1 2.92 2.7669 11.108 355 15 8906 1 2.75 2.5784 11.830 355 15 8907 1 2.77 2.8596 12.543 355 15 8908 1 2.79 2.4567 11.869 355 15 8909 1 2.71 2.5924 12.312 355 15 8912 1 2.99 2.0378 11.412 355 15 8941 1 2.86 2.0272 11.398 355 15 9026 1 2.76 2.6046 11.408 355 15 9145 1 2.84 1.7959 11.408 355 15 9395 1 2.92 2.6081 11.963 355 15 9397 1 2.58 2.8733 11.665 355 15 9399 1 2.70 2.9142 11.254 355 15 9400 1 2.62 2.6013 12.377 355 15 9401 1 2.81 2.4316 12.489 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 355 18 8962 1 2.73 2.9260 11.961 355 18 8964 1 2.75 2.9726 11.155 ## Starting information for simulation # 19 ## Starting information for simulation # 20 355 20 8422 1 2.85 2.9931 6.335 355 20 8428 1 2.90 2.2184 6.581 355 20 8531 1 2.67 2.8032 9.229 355 20 9080 1 2.79 2.7820 9.055 355 20 9082 1 2.77 2.1429 8.944 355 20 9084 1 2.87 2.6838 8.654 355 20 9798 1 2.98 2.1798 6.628 ## Starting information for simulation # 21 355 21 3648 1 2.92 2.2578 5.927 355 21 3778 1 2.72 2.5402 7.174 355 21 3792 1 2.73 2.9852 7.189 355 21 3795 1 2.63 2.2413 7.183 355 21 3815 1 2.82 2.1482 6.192 355 21 3817 1 2.87 2.4662 6.202 355 21 4768 1 2.97 2.0787 7.727 355 21 4846 1 2.91 2.4122 6.968 355 21 4853 1 2.86 2.2674 6.925 355 21 4854 1 2.98 2.4149 7.022 355 21 4855 1 2.74 2.8496 6.811 355 21 4859 1 2.99 2.6438 6.835 355 21 4896 1 2.86 1.8328 6.204 355 21 4912 1 2.91 2.2154 5.713 355 21 4917 1 2.89 2.6034 6.400 355 21 4926 1 2.97 2.2223 6.067 355 21 4927 1 2.84 2.3337 6.161 355 21 4928 1 2.83 2.8656 5.793 355 21 4933 1 2.91 2.6788 6.197 355 21 5018 1 2.80 2.3514 6.158 355 21 5154 1 2.90 1.8384 6.934 355 21 5168 1 2.96 1.7970 6.281 355 21 5393 1 2.77 3.0943 6.687 355 21 5394 1 2.75 2.8506 5.950 355 21 5395 1 2.86 2.6626 6.485 355 21 5396 1 2.70 3.0089 6.339 355 21 5397 1 2.86 2.4467 6.081 355 21 5398 1 2.81 2.3672 6.164 355 21 5401 1 2.98 2.1272 5.495 355 21 5417 1 2.59 2.0052 5.578 355 21 5418 1 2.83 2.2254 5.585 355 21 5431 1 2.90 1.7455 5.743 355 21 5433 1 2.74 2.7404 5.769 355 21 5435 1 2.75 2.7443 5.675 355 21 5436 1 2.67 3.0058 6.072 355 21 5489 1 2.79 1.8614 4.250 355 21 5492 1 2.89 1.8874 5.104 355 21 5494 1 2.95 1.8587 5.128 355 21 9648 1 2.82 2.9191 7.044 355 21 9652 1 2.90 2.6539 8.309 ## Starting information for simulation # 22 355 22 8587 1 2.73 2.7298 12.614 355 22 9529 1 2.89 2.8053 11.456 ## Starting information for simulation # 23 355 23 4357 1 2.81 3.1197 9.435 355 23 4424 1 2.95 2.1999 10.366 355 23 4675 1 3.00 2.3102 11.235 355 23 4885 1 2.68 2.8925 10.819 355 23 5698 1 2.71 2.6726 9.830 355 23 6318 1 2.77 2.9355 10.913 355 23 6944 1 2.64 2.9078 10.872 355 23 6946 1 2.97 2.9659 10.757 355 23 7501 1 2.76 2.9031 10.942 355 23 7504 1 2.95 2.8311 10.425 355 23 7559 1 2.58 3.0358 10.983 355 23 8080 1 2.99 1.9059 10.742 355 23 8839 1 2.98 2.3337 10.166 355 23 9875 1 2.78 3.0463 9.362 355 23 9876 1 2.75 2.6036 9.011 ## Starting information for simulation # 24 355 24 5440 1 2.98 2.6371 11.345 355 24 5441 1 2.89 2.9137 11.925 355 24 5443 1 2.74 3.0241 11.516 355 24 5444 1 2.74 2.7404 11.009 355 24 5447 1 2.80 2.7938 11.693 355 24 5448 1 2.77 2.7160 11.848 355 24 5450 1 2.90 1.9969 10.922 355 24 8123 1 2.94 2.9211 11.262 355 24 8634 1 2.87 2.7191 12.748 355 24 8635 1 2.69 2.6203 12.345 355 24 8636 1 2.76 3.0983 12.601 355 24 8637 1 2.85 2.9307 12.330 355 24 8638 1 2.62 3.0590 12.728 355 24 9103 1 2.73 2.8850 12.808 355 24 9104 1 2.75 2.7233 12.230 355 24 9111 1 2.74 2.3623 12.334 355 24 9113 1 2.77 2.8704 12.364 355 24 9114 1 2.82 2.8630 12.575 355 24 9115 1 2.69 2.5662 12.625 355 24 9116 1 2.83 2.6397 12.451 355 24 9117 1 2.85 2.8699 12.391 355 24 9118 1 2.98 2.8176 12.339 355 24 9119 1 2.80 2.1816 12.253 355 24 9120 1 2.84 2.3769 12.661 355 24 9122 1 2.83 3.1239 12.672 355 24 9123 1 2.81 2.8417 12.933 355 24 9124 1 2.84 2.7846 12.531 355 24 9129 1 2.76 2.6174 12.616 355 24 9130 1 2.83 2.8451 12.487 ## Starting information for simulation # 25 355 25 6427 1 2.91 2.1907 11.765 355 25 8591 1 2.92 2.1391 12.915 355 25 9083 1 2.93 2.6253 11.785 ## Starting information for simulation # 26 355 26 614 1 2.89 2.8150 9.690 355 26 615 1 2.96 2.6833 9.951 355 26 616 1 2.66 2.8079 9.405 355 26 1349 1 2.67 2.7485 8.369 355 26 1350 1 2.98 2.7191 7.816 355 26 1361 1 2.76 2.7295 8.363 355 26 1364 1 2.96 3.0037 7.768 355 26 1548 1 2.80 2.5405 7.374 355 26 1551 1 2.90 2.3526 7.611 355 26 1552 1 2.76 2.9240 7.592 355 26 1553 1 2.71 2.7034 6.688 355 26 1595 1 2.63 2.9953 7.236 355 26 1596 1 2.94 2.4301 7.930 355 26 2045 1 2.82 2.8182 9.353 ## Starting information for simulation # 27 355 27 8195 1 2.91 2.3195 11.409 355 27 8198 1 2.61 2.6699 11.640 355 27 8199 1 2.88 2.9225 11.768 355 27 8200 1 2.95 2.6642 12.154 ## 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 ## Starting information for simulation # 33 355 33 927 1 2.69 2.8509 12.588 355 33 3429 1 2.84 2.1699 13.221 355 33 3469 1 2.81 3.0691 12.533 355 33 3470 1 2.91 2.1225 12.718 355 33 3476 1 2.86 2.7498 12.907 355 33 6089 1 2.95 2.6250 12.418 355 33 6673 1 2.78 2.7476 9.896 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36