# Bonding information for index 299 -- 0MA_14@O4 0MA_12@H4O 0MA_12@O4 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 299 2 4992 1 2.79 2.7724 7.908 299 2 5214 1 2.86 2.9553 9.245 299 2 5215 1 2.95 2.8856 8.941 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 299 6 6169 1 2.99 1.7501 8.704 299 6 7028 1 2.64 2.8790 8.918 299 6 7626 1 2.68 2.8559 8.013 299 6 7627 1 2.91 2.5515 8.400 299 6 7628 1 2.75 3.1002 8.576 299 6 7682 1 2.72 3.0303 8.342 299 6 7683 1 2.84 3.0315 7.552 299 6 7693 1 2.69 2.7796 7.092 299 6 7694 1 2.80 2.7826 7.258 299 6 8388 1 2.70 3.0239 11.120 299 6 8389 1 2.70 2.9942 12.168 299 6 8390 1 2.70 2.8838 11.720 299 6 8391 1 2.82 2.9274 11.470 299 6 8392 1 2.75 2.7441 11.611 299 6 8393 1 2.59 2.8378 11.544 299 6 8394 1 2.91 2.9961 11.688 299 6 8395 1 2.77 3.0418 11.734 299 6 8407 1 2.98 1.7858 12.141 ## Starting information for simulation # 7 299 7 4694 1 2.94 2.4371 11.926 299 7 4781 1 2.83 2.5917 12.635 299 7 5293 1 2.81 1.8812 13.655 299 7 7724 1 2.71 2.7279 11.570 299 7 7725 1 2.80 3.0869 11.628 299 7 7726 1 2.76 2.8867 11.576 299 7 7727 1 2.65 3.0040 11.597 299 7 7728 1 2.69 2.6751 11.429 299 7 7729 1 2.72 2.8722 12.038 299 7 9157 1 2.90 2.0066 11.281 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 299 11 1119 1 2.92 2.6198 12.658 299 11 1122 1 2.78 2.8582 12.312 ## Starting information for simulation # 12 ## 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 # 19 299 19 464 1 2.79 3.0748 13.534 299 19 465 1 2.65 2.9181 13.424 299 19 466 1 2.90 3.0040 13.192 299 19 467 1 2.64 2.8847 13.801 299 19 468 1 2.93 2.7331 13.699 299 19 469 1 2.89 2.7650 13.466 299 19 470 1 2.67 2.7393 13.358 299 19 471 1 2.69 3.0094 13.530 299 19 472 1 2.92 2.7001 13.482 299 19 474 1 2.69 2.7695 13.596 299 19 647 1 2.87 2.9212 10.632 299 19 686 1 2.74 3.0593 8.738 299 19 687 1 2.92 3.1140 9.107 299 19 776 1 2.64 2.7470 10.962 299 19 783 1 2.84 2.7409 10.962 299 19 799 1 2.92 2.6173 11.486 299 19 800 1 2.90 2.7983 11.535 299 19 804 1 2.64 2.9020 10.365 299 19 805 1 2.78 3.0199 10.338 299 19 806 1 2.69 2.5896 10.359 299 19 807 1 2.60 2.7277 10.446 299 19 808 1 2.79 2.7058 10.954 299 19 809 1 2.91 2.9470 11.169 299 19 811 1 2.69 2.6862 10.810 299 19 976 1 2.66 2.9706 8.867 299 19 977 1 2.94 2.9890 9.192 299 19 978 1 2.72 3.1016 8.483 299 19 1006 1 2.95 1.7506 8.331 299 19 1085 1 2.67 2.8921 8.757 299 19 1086 1 2.70 2.9300 9.526 299 19 1087 1 2.88 2.9863 8.872 299 19 1088 1 2.71 2.8379 8.985 299 19 1089 1 2.73 3.0352 8.926 299 19 1090 1 2.57 2.6531 9.087 299 19 1317 1 2.71 3.0987 10.517 299 19 1795 1 2.67 2.6413 9.996 299 19 1796 1 2.89 3.0803 9.437 299 19 1797 1 2.57 3.0274 9.939 299 19 1798 1 2.72 2.7802 9.768 299 19 1801 1 2.62 2.5128 9.755 299 19 1839 1 2.87 2.8338 10.590 299 19 1840 1 2.77 2.7021 10.129 299 19 1841 1 2.62 3.0395 9.662 299 19 1842 1 2.84 3.0118 9.144 299 19 1843 1 2.77 2.7530 9.939 299 19 1844 1 2.64 2.9395 10.037 299 19 1845 1 2.78 2.8962 10.645 299 19 1846 1 2.61 2.8357 10.687 299 19 1847 1 2.72 2.9596 10.432 299 19 1848 1 2.56 2.8644 9.467 299 19 1849 1 2.90 2.9739 9.897 299 19 1850 1 2.71 2.7118 9.087 299 19 1851 1 2.77 2.9402 9.307 299 19 1852 1 2.61 2.8547 9.152 299 19 1853 1 2.96 1.8614 9.410 299 19 1890 1 2.71 2.4647 8.358 299 19 2361 1 2.72 2.9608 9.513 299 19 2362 1 2.67 2.9571 9.312 299 19 2363 1 2.81 2.9129 10.319 299 19 2364 1 2.65 2.7679 10.297 299 19 2365 1 2.75 2.6951 10.470 299 19 2377 1 2.72 2.8597 9.740 299 19 2824 1 2.75 2.5970 9.862 299 19 2833 1 2.86 2.9855 10.648 299 19 2834 1 2.87 2.9222 9.835 299 19 2835 1 2.74 3.0352 9.215 299 19 2836 1 2.96 2.1604 10.293 299 19 2837 1 2.74 3.0043 9.059 299 19 2849 1 2.91 2.6186 8.810 299 19 2850 1 2.74 2.7196 8.323 299 19 2852 1 2.72 3.0647 8.877 299 19 3000 1 2.99 2.1712 8.581 299 19 3177 1 2.94 2.4448 10.281 299 19 3214 1 2.72 2.9060 8.867 299 19 3215 1 2.69 2.9523 8.832 299 19 3216 1 2.70 2.7110 7.980 299 19 6054 1 2.68 2.8062 8.898 299 19 6055 1 2.77 2.5288 7.919 299 19 6102 1 2.93 3.0108 8.083 299 19 6103 1 2.90 1.7645 8.106 299 19 6118 1 2.68 2.5806 8.491 299 19 6119 1 2.77 2.4805 8.167 299 19 6120 1 2.88 3.0829 8.495 299 19 6129 1 2.63 3.0389 8.151 299 19 6131 1 2.76 3.0363 8.021 299 19 6132 1 2.78 2.8099 8.245 299 19 6159 1 2.75 2.9548 8.014 299 19 6160 1 2.76 3.1298 8.251 299 19 6161 1 2.83 2.8237 7.908 299 19 6162 1 2.75 3.0116 7.862 299 19 6212 1 2.75 2.8061 8.293 299 19 6214 1 2.78 2.9274 7.624 299 19 6215 1 2.66 2.9211 7.657 299 19 6216 1 2.76 2.9818 7.355 299 19 6217 1 2.66 2.8672 6.947 299 19 6218 1 2.61 2.9994 7.135 299 19 6249 1 2.64 2.9681 8.144 299 19 6250 1 2.69 2.9065 7.619 299 19 6251 1 2.69 2.8819 7.042 299 19 6284 1 2.87 3.1192 6.977 299 19 6310 1 2.92 2.7149 7.709 299 19 6311 1 2.54 2.7160 7.406 299 19 6381 1 2.75 2.9272 7.987 299 19 6382 1 2.61 3.1211 8.201 299 19 6384 1 2.88 2.6835 7.663 299 19 6826 1 2.74 3.0104 8.724 299 19 6827 1 2.78 2.9137 8.687 299 19 6846 1 2.71 2.7937 8.595 299 19 6847 1 2.91 2.7608 8.451 299 19 6859 1 2.89 2.7231 8.567 299 19 6860 1 2.72 2.6772 7.827 299 19 6880 1 2.64 2.8730 7.878 299 19 6881 1 2.89 2.8305 7.668 299 19 6882 1 2.75 3.0727 7.830 299 19 6883 1 2.93 3.1005 8.081 299 19 6975 1 2.84 3.0902 8.052 299 19 7243 1 2.77 3.0871 8.341 299 19 7245 1 2.66 2.9525 8.133 299 19 7246 1 2.92 2.1531 7.768 299 19 7247 1 2.95 2.7842 8.089 299 19 7251 1 2.81 2.1302 8.066 299 19 7252 1 2.69 2.6983 7.893 299 19 7255 1 2.68 2.9187 8.227 299 19 7256 1 2.73 2.7263 8.210 299 19 7257 1 2.60 3.1005 7.927 299 19 7258 1 2.63 2.6007 8.932 299 19 7348 1 2.71 2.9767 8.193 299 19 7350 1 2.73 2.7250 8.667 299 19 7351 1 2.75 3.0992 8.068 299 19 7352 1 2.86 2.8641 8.044 299 19 7353 1 2.78 2.8864 8.453 299 19 7430 1 2.78 2.9628 8.345 299 19 7431 1 2.78 2.6920 8.230 299 19 7438 1 2.72 2.7366 8.065 299 19 7439 1 2.62 2.9732 7.658 299 19 7440 1 2.72 3.0175 8.329 299 19 7462 1 2.89 2.2695 8.767 299 19 7479 1 2.99 2.7919 8.064 299 19 7480 1 2.91 2.6424 8.320 299 19 7576 1 2.69 3.0304 8.248 299 19 7577 1 2.76 2.6225 8.555 299 19 7578 1 2.73 2.8356 9.136 299 19 7590 1 2.56 2.9756 8.064 299 19 7668 1 2.69 2.9738 8.254 299 19 7738 1 2.84 1.9354 7.409 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 299 23 1184 1 3.00 1.8442 12.348 299 23 1371 1 2.73 2.5451 12.914 299 23 1372 1 2.74 2.4653 12.438 299 23 1373 1 2.84 3.0384 12.785 299 23 1374 1 2.70 3.0223 12.487 299 23 1375 1 2.57 2.8036 12.533 299 23 1376 1 2.73 2.7772 12.476 299 23 1377 1 2.74 2.8207 12.193 299 23 1474 1 2.71 2.9928 11.138 299 23 1475 1 2.65 3.1091 11.724 299 23 1476 1 2.64 3.1059 11.839 299 23 1477 1 2.74 2.8302 11.730 299 23 1478 1 2.79 2.9869 11.718 299 23 1479 1 2.74 3.0154 11.965 299 23 1480 1 2.87 2.7790 11.899 299 23 1481 1 2.79 3.0212 12.009 299 23 7790 1 2.95 2.6013 9.569 299 23 8973 1 2.70 2.8768 10.263 299 23 9028 1 2.61 2.8411 9.501 299 23 9029 1 2.85 2.7752 9.907 299 23 9030 1 2.89 2.9706 10.229 ## Starting information for simulation # 24 299 24 1081 1 2.85 1.8973 12.401 ## Starting information for simulation # 25 299 25 128 1 2.98 2.7915 11.648 299 25 129 1 2.84 2.8149 11.337 299 25 132 1 2.61 3.0206 11.133 299 25 133 1 2.63 2.8265 11.417 299 25 134 1 2.91 2.7996 11.947 299 25 135 1 2.81 2.9661 11.979 299 25 136 1 2.56 2.6942 11.875 299 25 139 1 2.86 2.9953 12.152 299 25 140 1 2.93 3.0340 12.212 299 25 141 1 3.00 3.0170 11.784 299 25 142 1 2.95 3.0191 11.403 299 25 143 1 2.88 2.9921 11.453 299 25 162 1 2.89 2.6183 11.348 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 299 29 8335 1 2.81 2.9086 11.720 ## Starting information for simulation # 30 299 30 141 1 2.91 3.0462 12.595 299 30 142 1 2.72 2.7850 12.528 299 30 143 1 2.72 2.7463 12.398 299 30 144 1 2.93 2.7624 12.278 299 30 145 1 2.69 2.8394 12.479 299 30 146 1 2.89 2.6373 12.173 299 30 147 1 2.71 2.9182 12.165 ## Starting information for simulation # 31 299 31 3538 1 2.71 2.7641 11.757 299 31 3558 1 2.74 2.8665 11.418 299 31 3560 1 2.73 3.0761 11.729 299 31 3561 1 2.57 2.8650 12.222 299 31 3562 1 2.84 2.9540 11.978 299 31 3563 1 2.78 2.8004 12.268 299 31 3564 1 2.86 3.0349 12.156 299 31 3565 1 2.82 2.7443 12.414 299 31 3566 1 2.54 3.0284 11.855 299 31 3567 1 2.72 2.7824 11.535 299 31 3568 1 2.88 2.4907 11.396 299 31 6564 1 2.73 2.5221 11.778 299 31 7915 1 2.93 2.7065 12.603 ## Starting information for simulation # 32 ## Starting information for simulation # 33 299 33 5325 1 2.92 1.8660 9.635 299 33 5327 1 2.78 2.7204 10.264 299 33 5336 1 2.72 3.0008 11.358 299 33 5338 1 2.73 2.8749 11.705 299 33 6368 1 2.98 2.0942 9.290 299 33 6861 1 2.72 3.0217 9.519 299 33 6868 1 2.80 2.9584 9.095 299 33 6869 1 2.69 2.7949 10.139 299 33 6870 1 2.75 2.8224 9.786 299 33 6871 1 2.52 2.7321 10.112 299 33 7138 1 2.62 2.9389 9.058 299 33 7139 1 2.67 2.8373 8.793 299 33 7140 1 2.78 2.1375 9.054 299 33 7936 1 2.87 2.8784 9.210 299 33 7941 1 2.91 2.6664 8.920 299 33 7942 1 2.77 2.9248 9.265 299 33 7943 1 2.65 2.7427 8.637 299 33 7944 1 2.58 2.6567 8.958 299 33 7945 1 2.78 2.8616 8.642 299 33 7946 1 2.71 3.0026 9.409 299 33 7947 1 2.54 2.9473 9.547 299 33 8030 1 2.84 2.9899 9.706 299 33 8031 1 2.60 2.8397 11.128 299 33 8032 1 2.59 2.8729 10.005 299 33 8063 1 2.82 3.0249 9.159 299 33 8244 1 2.69 2.7637 8.733 299 33 8359 1 2.74 2.9926 9.163 299 33 8360 1 2.77 3.0398 9.334 299 33 8361 1 2.57 2.5670 8.590 299 33 8362 1 2.87 2.9339 8.819 299 33 8424 1 2.63 3.0540 9.311 299 33 8426 1 2.82 2.8117 8.766 299 33 8427 1 2.72 2.4891 9.143 299 33 8449 1 2.76 2.7139 9.510 299 33 8533 1 2.72 2.9972 8.824 299 33 8550 1 2.68 2.9334 8.826 299 33 8551 1 2.61 2.7748 8.869 299 33 8552 1 2.82 2.7659 9.717 299 33 8553 1 2.81 3.1004 9.735 299 33 8554 1 2.88 2.7379 9.214 299 33 8556 1 2.53 2.9507 8.580 299 33 8558 1 2.85 2.7844 9.320 299 33 8559 1 3.00 2.2842 9.449 299 33 8632 1 2.83 2.7805 9.359 299 33 8633 1 2.60 2.9649 8.683 299 33 8634 1 2.65 2.8668 9.501 299 33 8635 1 2.79 2.8929 9.354 299 33 8636 1 2.65 3.1041 9.262 299 33 8637 1 2.69 2.8178 9.333 299 33 8638 1 2.86 2.8193 9.471 299 33 8639 1 2.75 2.6978 9.342 299 33 8640 1 2.66 2.8236 8.800 299 33 8641 1 2.77 2.8219 9.241 299 33 8643 1 2.73 1.8086 9.232 299 33 8671 1 2.63 2.8666 9.202 299 33 8673 1 2.70 2.9571 8.719 299 33 8674 1 2.85 3.0135 8.517 299 33 8675 1 2.77 2.6771 8.695 299 33 8856 1 2.74 2.6623 9.010 299 33 8866 1 2.84 2.9237 9.202 299 33 8868 1 2.94 2.7363 8.906 299 33 8869 1 2.65 2.9782 8.721 299 33 8870 1 2.72 2.9045 8.925 299 33 8871 1 2.91 3.0011 9.226 299 33 8872 1 2.83 2.8825 9.419 299 33 8873 1 2.73 3.0233 9.279 299 33 8874 1 2.62 2.8250 8.681 299 33 8875 1 2.67 2.9688 8.503 299 33 8990 1 2.79 3.0442 9.458 299 33 8991 1 3.00 2.7244 9.723 299 33 8992 1 2.78 2.6902 9.137 299 33 8993 1 2.57 3.0096 9.943 299 33 8994 1 2.99 2.8624 9.166 299 33 8995 1 2.91 2.8647 9.125 299 33 8996 1 2.78 3.0167 8.869 299 33 8997 1 2.79 2.8831 9.365 299 33 9010 1 2.67 2.8414 9.145 299 33 9011 1 2.97 2.7970 9.511 299 33 9012 1 2.65 3.0261 9.306 299 33 9013 1 2.76 2.7699 9.352 299 33 9139 1 2.81 2.7221 9.337 299 33 9140 1 2.89 3.0445 9.029 299 33 9215 1 2.96 1.9026 8.196 299 33 9264 1 2.86 2.8630 9.051 299 33 9281 1 2.81 2.8709 9.169 299 33 9363 1 2.75 3.0164 9.364 299 33 9364 1 2.69 2.7065 8.569 299 33 9365 1 2.98 2.8820 9.347 299 33 9366 1 2.67 2.8564 8.687 299 33 9367 1 2.82 2.9128 9.030 299 33 9375 1 2.90 2.9673 8.942 299 33 9501 1 2.69 2.7861 9.243 299 33 9502 1 2.84 2.7544 8.498 299 33 9503 1 2.67 2.7529 8.933 299 33 9504 1 2.96 2.6333 8.358 299 33 9506 1 2.75 2.9952 8.393 299 33 9507 1 2.69 2.7454 7.915 299 33 9508 1 2.72 2.7842 8.685 299 33 9509 1 2.73 3.0780 8.600 299 33 9510 1 2.70 3.0380 8.745 299 33 9511 1 2.69 2.7320 8.572 299 33 9516 1 2.82 2.4707 8.572 299 33 9517 1 2.75 2.7500 8.801 299 33 9518 1 2.65 2.4476 7.670 299 33 9519 1 2.59 2.8751 8.727 299 33 9520 1 2.82 2.9966 8.298 299 33 9521 1 2.66 2.9709 8.430 299 33 9576 1 2.69 2.5841 8.060 299 33 9577 1 2.66 2.6998 8.076 299 33 9578 1 2.74 2.9366 8.108 299 33 9579 1 2.90 3.0828 7.991 299 33 9580 1 2.82 3.0536 7.638 299 33 9581 1 2.90 2.9562 7.687 299 33 9582 1 2.79 3.0252 7.809 ## Starting information for simulation # 34 299 34 1260 1 2.74 2.2771 14.471 299 34 2384 1 2.66 3.1299 12.427 299 34 3252 1 2.67 2.9598 10.707 299 34 3253 1 2.67 2.8798 10.526 299 34 3254 1 2.91 2.9144 10.728 299 34 3255 1 2.90 2.8261 10.870 299 34 3712 1 2.69 2.3858 12.206 299 34 3734 1 2.91 1.9705 10.177 299 34 3772 1 2.95 1.7793 12.235 299 34 3976 1 2.93 2.8488 14.212 299 34 3977 1 2.61 2.8977 13.999 299 34 3978 1 2.77 2.4530 13.486 299 34 3979 1 2.62 2.9907 13.662 299 34 3980 1 2.65 2.8344 13.534 299 34 3981 1 2.79 2.9024 12.474 299 34 3982 1 2.82 2.9980 13.057 299 34 5640 1 2.78 1.7470 12.932 ## Starting information for simulation # 35 299 35 2324 1 2.83 1.9073 13.284 299 35 5418 1 2.97 1.8245 13.166 299 35 7620 1 2.90 1.8496 13.706 299 35 7629 1 2.94 2.0788 14.007 299 35 7638 1 2.61 2.6944 12.880 299 35 7639 1 2.61 2.8885 13.136 ## Starting information for simulation # 36