# Bonding information for index 109 -- 0MA_12@O6 0MA_15@H3O 0MA_15@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 109 1 1302 1 2.90 2.5825 9.019 109 1 1623 1 2.93 2.6314 8.320 109 1 1637 1 2.83 2.7137 9.225 109 1 2959 1 2.86 2.0593 9.142 109 1 5449 1 2.83 3.0615 7.860 109 1 5530 1 2.77 2.8978 7.272 109 1 5911 1 2.85 2.5009 7.319 109 1 5914 1 2.91 2.0211 7.569 109 1 5917 1 2.71 2.7147 7.728 109 1 5919 1 2.66 2.8975 7.401 109 1 5920 1 2.79 2.4625 7.867 109 1 5921 1 3.00 2.7419 7.725 109 1 6052 1 2.86 2.4513 7.439 109 1 6280 1 2.80 2.7904 6.842 109 1 6281 1 2.93 2.7672 7.363 109 1 6282 1 2.96 2.4174 7.515 109 1 6284 1 2.72 2.6520 7.825 109 1 6286 1 2.86 2.6024 7.176 109 1 6287 1 2.77 2.6716 7.001 109 1 6291 1 2.87 2.2298 7.426 109 1 6292 1 2.75 2.4500 7.834 109 1 6294 1 2.71 3.0781 7.712 109 1 6295 1 2.84 2.5839 7.456 109 1 6297 1 2.63 2.8780 7.105 109 1 6298 1 2.80 2.3920 7.306 109 1 6300 1 2.68 2.6534 7.458 109 1 6302 1 2.81 2.6525 7.718 109 1 6306 1 2.95 2.2792 7.343 109 1 6646 1 2.73 2.9931 8.178 109 1 6683 1 3.00 2.3627 8.246 109 1 6823 1 2.73 2.3347 8.048 109 1 6826 1 2.90 2.2249 7.619 109 1 6827 1 2.83 2.1527 8.098 109 1 6834 1 2.96 2.0008 7.251 109 1 6873 1 2.96 2.1170 7.435 109 1 6915 1 2.97 2.0003 7.684 109 1 6925 1 2.76 2.9960 7.106 109 1 6931 1 2.72 1.8759 7.160 109 1 6936 1 2.82 3.1100 6.871 109 1 6937 1 2.86 2.2816 6.609 109 1 6938 1 2.92 1.7454 7.078 109 1 6952 1 2.64 2.5810 6.575 109 1 6956 1 2.79 2.4330 6.390 109 1 6958 1 2.66 2.9309 7.027 109 1 6961 1 2.87 2.0315 6.920 109 1 6962 1 2.98 1.9315 7.436 109 1 6963 1 2.91 2.6964 7.040 109 1 6989 1 2.99 2.2935 7.194 109 1 6990 1 2.99 2.1107 7.088 109 1 6993 1 2.92 2.5116 6.975 109 1 6998 1 2.79 2.1078 7.029 109 1 7001 1 2.86 1.8778 6.842 109 1 7006 1 2.93 1.7774 7.078 109 1 7011 1 2.89 1.8694 6.874 109 1 7031 1 2.68 2.3707 6.917 109 1 7033 1 2.85 1.9729 7.322 109 1 7034 1 2.90 2.1870 7.006 109 1 7035 1 2.99 2.2690 6.946 109 1 7036 1 2.97 2.1294 6.969 109 1 7078 1 2.95 2.4590 7.347 109 1 7126 1 3.00 2.4194 7.399 109 1 7136 1 2.93 2.1094 7.783 109 1 7250 1 2.84 2.3863 7.111 109 1 7252 1 2.93 2.2188 6.777 109 1 7254 1 2.85 2.6912 6.876 109 1 7255 1 2.82 3.0337 7.003 109 1 7257 1 2.99 2.2975 7.351 109 1 7261 1 2.88 2.8971 7.119 109 1 7262 1 2.90 2.0703 7.184 109 1 7263 1 2.80 2.1373 7.088 109 1 7264 1 2.83 2.7496 7.296 109 1 7266 1 2.82 2.7065 7.141 109 1 7271 1 2.99 2.4836 6.874 109 1 7276 1 2.79 2.3271 7.486 109 1 7285 1 2.70 2.8909 7.106 109 1 7286 1 2.73 2.4659 6.982 109 1 7293 1 2.98 2.4452 7.250 109 1 7296 1 2.64 2.9109 7.390 109 1 7300 1 2.85 2.1805 7.300 109 1 7301 1 2.99 2.2019 7.311 109 1 7304 1 2.79 2.7295 7.226 109 1 9866 1 2.95 1.8813 8.232 109 1 9867 1 2.88 2.2457 8.418 109 1 9869 1 2.88 2.4590 8.086 109 1 9879 1 2.79 2.6462 8.342 109 1 9881 1 2.99 2.3731 7.777 109 1 9897 1 2.89 2.2106 7.570 ## Starting information for simulation # 2 109 2 1270 1 2.98 2.6583 12.365 109 2 1271 1 2.79 2.9853 12.446 109 2 1415 1 2.95 2.1720 9.940 109 2 1427 1 2.97 2.3167 9.861 109 2 1438 1 2.91 1.9926 9.906 109 2 1453 1 2.82 1.9698 9.750 109 2 1469 1 2.80 2.7596 9.804 109 2 1492 1 2.76 2.6236 9.120 109 2 1495 1 2.88 2.2244 9.409 109 2 1496 1 2.95 2.0852 9.311 109 2 1501 1 2.80 2.3085 9.052 109 2 1503 1 2.90 2.0072 9.074 109 2 1507 1 2.87 2.0708 9.160 109 2 1508 1 2.73 2.6903 9.152 109 2 1511 1 2.94 2.3499 9.496 109 2 1763 1 2.82 2.6012 11.505 109 2 1764 1 2.69 2.7295 11.507 109 2 1775 1 2.83 2.6450 10.681 109 2 1776 1 2.87 2.7682 10.726 109 2 1777 1 2.80 2.8673 10.509 109 2 1778 1 2.79 2.7397 10.805 109 2 1779 1 2.66 2.9739 10.281 109 2 1780 1 2.98 2.1629 10.640 109 2 1826 1 2.95 1.7590 9.981 109 2 1834 1 2.65 2.4741 10.395 109 2 1942 1 2.81 2.8068 9.243 109 2 1944 1 2.92 2.4938 9.510 109 2 1945 1 2.87 2.7921 9.465 109 2 1950 1 2.95 2.3870 9.267 109 2 1951 1 3.00 2.7122 9.169 109 2 1952 1 2.70 3.0575 9.340 109 2 1953 1 2.87 1.9437 9.372 109 2 1955 1 2.81 2.7311 9.247 109 2 2009 1 2.89 2.2941 9.343 109 2 2017 1 2.82 2.8692 9.542 109 2 2025 1 2.82 2.2732 10.254 109 2 2027 1 2.82 2.4777 9.549 109 2 2060 1 2.80 2.7940 9.776 109 2 2078 1 2.70 2.9933 9.369 109 2 2106 1 2.63 2.6122 9.622 109 2 2113 1 2.83 2.0919 9.608 109 2 2115 1 2.66 1.9285 9.832 109 2 2116 1 2.76 2.6479 9.880 109 2 2120 1 2.87 2.4037 9.385 109 2 2122 1 2.99 2.2414 9.571 109 2 2127 1 2.90 2.8208 10.143 109 2 2141 1 2.88 2.7247 9.308 109 2 2149 1 2.93 2.2422 9.329 109 2 2169 1 2.69 2.6190 9.648 109 2 2199 1 2.97 2.5760 9.171 109 2 2252 1 2.96 2.2528 9.591 109 2 2259 1 2.91 2.6463 9.333 109 2 2267 1 2.82 2.5165 9.347 109 2 2276 1 2.83 1.9361 9.497 ## Starting information for simulation # 3 109 3 9596 1 2.93 2.4035 11.338 109 3 9597 1 2.90 2.4851 11.011 109 3 9598 1 2.98 2.2444 11.226 109 3 9601 1 2.89 2.3713 11.112 ## Starting information for simulation # 4 ## Starting information for simulation # 5 109 5 8520 1 2.97 2.6197 9.173 109 5 8761 1 2.85 2.2247 9.939 109 5 8765 1 2.93 2.1160 9.349 109 5 8766 1 2.76 2.5411 9.601 109 5 8775 1 2.80 1.7797 9.906 109 5 8821 1 2.81 3.0528 9.075 109 5 8836 1 2.73 2.7618 9.029 109 5 8838 1 2.79 2.0291 9.326 109 5 8840 1 2.87 2.3712 9.053 109 5 8849 1 2.99 2.1424 9.360 109 5 8889 1 2.96 2.1418 9.325 109 5 8891 1 2.94 2.0834 9.259 109 5 9066 1 2.92 2.3027 8.833 109 5 9070 1 2.92 2.0309 9.151 109 5 9071 1 2.88 2.1140 9.173 109 5 9075 1 2.99 2.2478 9.355 109 5 9076 1 2.83 2.4602 9.826 109 5 9078 1 2.78 1.9192 10.195 109 5 9084 1 2.93 2.2664 9.328 109 5 9091 1 2.81 2.3659 9.658 109 5 9094 1 2.79 2.1975 10.030 109 5 9095 1 2.68 2.7454 9.580 109 5 9096 1 2.85 2.3849 9.033 109 5 9098 1 2.88 2.6489 9.191 109 5 9100 1 2.71 2.6600 8.967 109 5 9102 1 2.84 2.7105 9.024 109 5 9300 1 2.90 1.9637 9.322 109 5 9469 1 2.99 2.0952 9.078 109 5 9475 1 2.89 1.9972 8.969 109 5 9513 1 2.97 2.3040 9.064 109 5 9551 1 2.87 1.8372 9.174 109 5 9554 1 2.84 2.0091 9.275 109 5 9557 1 2.87 1.9416 9.431 109 5 9558 1 2.98 2.4924 8.819 109 5 9559 1 2.85 2.5235 9.168 109 5 9564 1 2.76 2.5721 8.767 109 5 9567 1 2.69 2.5038 9.068 109 5 9568 1 2.83 2.6586 9.334 109 5 9570 1 2.88 2.2301 9.082 109 5 9571 1 2.77 2.8833 8.937 109 5 9572 1 2.80 1.8084 8.949 109 5 9574 1 2.81 1.9735 8.962 109 5 9576 1 2.88 2.0485 9.093 109 5 9601 1 2.98 2.1968 9.511 109 5 9606 1 2.81 2.5890 9.418 109 5 9630 1 2.82 2.4829 9.087 109 5 9631 1 2.92 2.5300 8.965 109 5 9635 1 2.93 2.5236 9.527 109 5 9636 1 2.93 1.7935 9.580 109 5 9638 1 2.99 1.8863 9.607 ## Starting information for simulation # 6 ## Starting information for simulation # 7 109 7 4051 1 2.90 2.0546 12.763 109 7 4053 1 3.00 2.3698 12.791 109 7 4339 1 2.80 2.7346 12.095 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 109 11 1893 1 2.96 3.1055 12.629 109 11 1898 1 3.00 2.6228 12.339 109 11 1902 1 2.70 2.4408 12.550 109 11 1903 1 2.97 1.9805 11.919 109 11 1906 1 2.79 2.8024 12.152 109 11 1911 1 2.82 3.0042 12.106 109 11 1912 1 2.68 2.7443 12.597 109 11 1913 1 2.87 2.8393 12.297 109 11 1914 1 2.74 2.9003 12.643 109 11 1915 1 2.71 2.8010 12.754 109 11 1916 1 2.72 3.0459 12.340 109 11 1920 1 2.87 2.5117 12.784 109 11 1929 1 2.82 2.4732 13.213 109 11 1959 1 2.83 2.2580 13.204 109 11 1992 1 2.97 2.7701 13.115 109 11 2012 1 2.77 2.9879 12.992 109 11 2013 1 2.85 2.9853 12.335 109 11 2017 1 2.94 2.8555 13.064 109 11 2018 1 2.83 2.4944 12.598 109 11 2019 1 2.70 2.9896 12.124 109 11 2023 1 2.94 2.5220 12.555 109 11 2024 1 2.95 2.4631 12.749 109 11 2025 1 2.80 3.0738 12.480 109 11 2056 1 2.75 2.7651 12.758 109 11 2057 1 2.79 3.0127 12.878 109 11 2063 1 2.73 3.0634 12.126 109 11 2156 1 2.90 1.7534 12.879 109 11 2172 1 2.84 2.5951 12.492 109 11 2175 1 2.74 2.8200 12.667 109 11 2176 1 2.73 2.7425 12.876 109 11 2500 1 2.74 2.9510 11.589 109 11 2502 1 2.80 2.6559 11.318 109 11 2503 1 2.86 2.9685 11.119 109 11 2504 1 2.88 2.7474 11.559 109 11 2505 1 2.59 2.7287 11.877 109 11 2525 1 2.78 2.7075 12.559 109 11 2537 1 2.93 2.8948 12.299 109 11 2538 1 2.83 2.8495 11.617 109 11 2539 1 2.72 2.6498 12.226 109 11 2541 1 2.98 2.3746 11.863 109 11 2543 1 2.76 2.7277 12.684 109 11 2544 1 2.97 3.0774 12.654 109 11 2565 1 2.87 2.1989 12.497 109 11 2567 1 2.65 2.7691 11.490 109 11 2568 1 2.90 2.9894 12.277 109 11 2830 1 2.65 2.5941 11.894 109 11 3910 1 2.91 1.7957 12.181 109 11 3918 1 2.69 2.9272 12.730 109 11 3919 1 2.74 3.0768 12.360 109 11 3920 1 2.93 2.6840 12.509 109 11 7633 1 2.95 2.6243 12.983 ## Starting information for simulation # 12 ## Starting information for simulation # 13 109 13 5982 1 2.87 2.8191 11.750 109 13 5997 1 2.95 2.8801 11.681 109 13 5998 1 2.73 2.5043 11.821 109 13 5999 1 2.89 2.8439 12.060 109 13 6008 1 2.97 1.9492 11.745 109 13 6022 1 2.68 2.8162 11.999 109 13 6024 1 2.77 2.7098 11.297 109 13 6337 1 2.74 3.0223 11.967 109 13 6341 1 2.90 3.0286 12.237 109 13 6356 1 2.89 2.9297 11.871 109 13 6357 1 2.63 3.1211 12.283 109 13 6524 1 2.94 2.7305 11.814 109 13 6525 1 2.93 2.4402 11.723 109 13 6526 1 2.86 2.7220 12.031 ## 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 # 22 109 22 5273 1 2.74 2.7896 12.730 109 22 5274 1 2.66 2.7933 13.043 109 22 5275 1 2.58 2.7788 12.929 109 22 5276 1 2.97 2.7382 12.965 109 22 5277 1 2.92 2.3324 13.036 109 22 5313 1 2.94 2.9982 12.561 109 22 5314 1 2.77 2.8011 11.965 109 22 5315 1 3.00 3.0666 12.590 109 22 7882 1 2.77 2.6499 13.218 109 22 9071 1 2.67 2.4779 12.804 109 22 9078 1 2.92 2.5190 13.113 109 22 9087 1 2.86 2.8291 12.411 109 22 9088 1 2.82 2.6604 13.134 109 22 9089 1 2.75 2.7944 13.058 109 22 9090 1 2.92 2.9169 12.890 109 22 9091 1 2.70 2.9728 12.322 109 22 9092 1 2.87 2.6677 13.208 109 22 9098 1 2.61 2.9962 12.819 109 22 9099 1 2.86 2.3828 12.285 109 22 9104 1 2.93 2.8186 13.212 109 22 9105 1 2.69 2.7640 13.014 ## Starting information for simulation # 23 109 23 5099 1 2.92 2.5648 11.007 109 23 5100 1 2.82 2.6238 10.297 109 23 5103 1 2.58 2.9734 10.275 ## Starting information for simulation # 24 109 24 7942 1 2.72 2.7992 12.299 109 24 7943 1 2.93 2.9465 12.469 109 24 7950 1 2.74 2.5603 12.933 109 24 8473 1 2.75 2.6356 12.376 109 24 8482 1 2.92 2.6268 12.764 109 24 8483 1 2.98 1.7639 12.860 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 109 27 8519 1 2.91 3.1122 11.766 109 27 8528 1 2.99 2.6897 12.616 109 27 8529 1 2.71 2.9052 12.104 109 27 8530 1 2.71 2.4156 12.326 109 27 8531 1 2.71 3.0788 12.007 109 27 8534 1 2.73 2.4702 12.252 109 27 8552 1 2.77 2.3020 12.764 109 27 8553 1 2.80 2.7893 12.195 109 27 8555 1 2.96 2.6103 12.387 109 27 8556 1 2.77 2.9140 12.241 109 27 8557 1 2.79 2.9348 12.679 109 27 8558 1 2.99 2.7830 12.558 109 27 8559 1 2.63 3.0280 11.900 109 27 8561 1 2.68 3.0702 11.864 109 27 8562 1 2.66 2.3829 12.069 109 27 8563 1 2.97 2.2389 12.575 109 27 8566 1 2.78 2.8592 11.652 109 27 8567 1 2.87 2.7415 11.731 109 27 8573 1 2.95 2.6407 11.909 109 27 8575 1 2.60 2.7630 12.063 ## Starting information for simulation # 28 ## Starting information for simulation # 29 109 29 6477 1 2.75 2.6931 12.139 109 29 6478 1 2.69 2.8319 12.242 109 29 6480 1 2.86 2.5993 12.391 109 29 6487 1 2.85 2.5775 12.462 109 29 6494 1 2.94 2.1574 12.781 109 29 6750 1 2.74 2.2495 12.126 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 109 32 951 1 2.92 2.8981 10.978 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 109 35 10020 1 2.88 2.6300 11.281 109 35 10147 1 2.99 2.6815 12.232 109 35 10149 1 2.87 2.5939 11.926 109 35 10151 1 2.73 2.9713 11.901 109 35 10152 1 2.82 2.4095 12.123 109 35 10153 1 2.62 2.3734 12.174 ## Starting information for simulation # 36 109 36 5369 1 2.61 3.0289 8.388 109 36 5370 1 2.93 3.1126 8.048 109 36 5371 1 2.87 2.8413 8.124