# Bonding information for index 230 -- 0MA_13@O6 0MA_14@H3O 0MA_14@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 230 2 85 1 2.77 2.6875 11.422 230 2 109 1 2.94 1.7546 10.079 230 2 202 1 2.74 2.8294 10.322 230 2 206 1 2.95 2.6267 9.147 230 2 212 1 2.86 2.9328 8.867 230 2 213 1 2.75 2.7912 9.247 230 2 215 1 2.74 2.6743 10.499 230 2 217 1 2.96 2.3849 9.885 230 2 218 1 2.70 2.4612 9.379 230 2 219 1 2.82 2.3797 9.992 230 2 222 1 2.88 2.8823 10.218 230 2 226 1 2.64 2.9722 11.005 230 2 231 1 2.81 2.7909 11.484 230 2 233 1 2.79 2.9721 11.384 230 2 396 1 2.82 2.7108 8.669 230 2 5934 1 2.93 2.8675 10.439 230 2 5936 1 2.62 3.0569 9.817 230 2 6384 1 2.95 2.8010 11.740 230 2 6895 1 2.89 2.7476 10.360 ## Starting information for simulation # 3 ## Starting information for simulation # 4 230 4 1528 1 2.77 2.9426 11.907 230 4 1529 1 2.84 2.9656 11.844 230 4 1630 1 2.82 2.8760 12.064 230 4 1687 1 2.88 2.5860 12.380 230 4 1692 1 2.89 3.0193 11.999 230 4 1693 1 2.82 2.7866 11.862 230 4 1698 1 2.73 2.6634 12.123 230 4 1700 1 2.96 2.8172 12.223 230 4 1739 1 2.77 2.7495 12.211 230 4 1740 1 2.86 2.4620 11.842 230 4 1741 1 2.80 2.7257 11.927 230 4 1742 1 2.86 2.9539 11.921 230 4 1768 1 2.99 2.6963 12.164 230 4 1769 1 2.68 2.9074 11.950 230 4 1774 1 2.85 2.6997 11.849 230 4 2395 1 2.91 2.1165 9.965 230 4 2399 1 2.90 2.4826 8.989 230 4 2410 1 2.79 2.1415 9.466 230 4 2412 1 2.76 2.6022 9.186 230 4 2413 1 2.94 2.6347 8.878 230 4 2415 1 2.85 2.0008 9.144 230 4 2418 1 2.96 2.4423 10.558 230 4 2419 1 2.76 2.9036 10.359 230 4 2792 1 2.73 2.8267 10.037 230 4 2797 1 2.76 2.8862 10.137 230 4 5593 1 2.81 2.3365 10.192 230 4 7761 1 2.81 2.4604 10.983 230 4 7766 1 2.81 2.5184 10.959 230 4 7767 1 2.84 2.3094 10.068 230 4 7769 1 2.68 2.7019 10.282 230 4 8745 1 2.61 2.5500 10.922 230 4 8748 1 2.77 1.9955 11.128 230 4 8756 1 2.99 2.2291 10.496 230 4 8769 1 2.72 2.5168 9.672 230 4 8770 1 2.71 3.0262 10.461 230 4 8773 1 2.91 2.0579 10.148 230 4 8775 1 2.78 1.8465 10.413 ## Starting information for simulation # 5 ## Starting information for simulation # 6 230 6 922 1 2.87 2.6812 10.729 230 6 926 1 2.74 1.8363 10.426 230 6 946 1 2.96 3.0663 9.935 230 6 2381 1 2.99 2.6197 10.673 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 230 10 4921 1 2.66 2.9538 10.326 230 10 4922 1 2.69 2.7150 10.299 ## Starting information for simulation # 11 ## Starting information for simulation # 12 230 12 2227 1 2.89 2.8196 8.531 ## Starting information for simulation # 13 230 13 5590 1 2.81 2.2203 9.719 230 13 5597 1 2.81 2.7731 10.367 230 13 5598 1 2.65 2.7365 9.505 230 13 5609 1 2.86 2.6042 10.017 230 13 5628 1 2.80 1.8551 9.647 230 13 5629 1 2.79 2.7537 9.251 230 13 5748 1 2.76 2.4045 12.138 230 13 7047 1 2.99 2.4804 10.452 230 13 7049 1 2.81 2.9387 11.204 230 13 7051 1 2.80 2.5372 10.522 230 13 7079 1 2.88 2.0556 9.774 ## Starting information for simulation # 14 ## Starting information for simulation # 15 230 15 8717 1 2.96 2.7277 10.007 230 15 9105 1 2.94 2.5100 11.588 230 15 9107 1 2.67 2.9900 10.731 ## Starting information for simulation # 16 230 16 1215 1 2.88 2.6690 9.101 230 16 1236 1 2.71 2.6432 8.890 230 16 1240 1 2.98 2.8400 8.183 230 16 1301 1 2.99 2.6895 8.469 230 16 1334 1 2.65 2.9971 8.102 230 16 1340 1 2.60 2.7736 8.826 230 16 1341 1 3.00 2.6759 8.471 230 16 1345 1 2.98 2.9910 8.313 230 16 1347 1 2.78 2.6369 7.854 230 16 1367 1 2.77 2.4079 8.885 230 16 1559 1 2.96 2.6339 6.595 230 16 1599 1 2.76 2.9145 6.385 230 16 1602 1 2.75 2.8531 6.464 230 16 1718 1 2.94 3.0675 6.220 230 16 1728 1 2.89 2.9468 6.596 230 16 1729 1 2.85 2.8292 6.330 230 16 1731 1 2.99 1.9376 6.470 230 16 1794 1 2.99 1.7612 6.657 230 16 1865 1 2.98 2.1119 6.436 230 16 1867 1 2.84 2.3464 6.275 230 16 1868 1 2.83 3.1122 6.565 230 16 1869 1 2.96 1.8757 6.470 230 16 1872 1 2.95 2.2084 6.045 230 16 1883 1 2.97 2.7688 6.497 230 16 1884 1 2.81 2.7600 6.382 230 16 1887 1 2.95 1.9553 6.458 ## Starting information for simulation # 17 230 17 6965 1 2.59 2.8700 6.989 230 17 8547 1 2.82 1.7687 11.545 230 17 8572 1 2.75 2.8919 12.552 230 17 8581 1 2.95 2.6072 11.429 ## Starting information for simulation # 18 230 18 550 1 2.88 2.1276 8.308 230 18 551 1 2.97 1.7469 8.171 ## Starting information for simulation # 19 230 19 4518 1 2.88 2.1850 10.472 ## Starting information for simulation # 20 230 20 114 1 2.88 2.3742 8.744 ## Starting information for simulation # 21 230 21 213 1 2.83 2.6379 9.129 230 21 566 1 2.79 2.5548 9.025 230 21 582 1 2.90 2.4907 8.866 230 21 583 1 2.94 2.3069 7.733 230 21 1876 1 2.73 2.4020 7.844 230 21 1913 1 2.89 1.7898 7.175 230 21 1914 1 2.81 2.0567 7.558 230 21 1967 1 2.78 2.6766 7.648 230 21 1969 1 2.98 2.7045 7.848 230 21 1970 1 2.85 2.7018 8.084 230 21 1971 1 2.84 2.6443 7.476 230 21 1972 1 2.73 2.6696 7.799 230 21 1975 1 2.99 2.5629 7.398 230 21 1976 1 2.73 2.3279 7.201 230 21 1978 1 2.72 2.6884 6.664 230 21 1979 1 2.71 3.0363 7.100 230 21 1980 1 2.80 2.9848 7.319 230 21 1982 1 2.91 2.2368 7.111 230 21 1984 1 2.86 2.4788 7.342 230 21 1985 1 2.95 2.7577 7.017 230 21 1995 1 2.83 3.0090 7.543 230 21 2058 1 2.98 2.5135 9.266 230 21 2087 1 2.76 2.9618 8.393 230 21 2826 1 2.97 1.8862 7.323 230 21 2872 1 2.67 2.4790 6.829 230 21 2873 1 2.96 2.2468 7.075 230 21 2874 1 2.80 2.3827 7.136 230 21 2888 1 2.66 2.6795 7.155 230 21 2889 1 2.82 2.2854 7.735 230 21 2890 1 2.65 2.6954 7.583 230 21 3049 1 2.99 1.9156 7.981 230 21 3052 1 2.81 2.8106 8.880 230 21 3054 1 2.67 2.4193 8.380 230 21 3055 1 2.99 2.1964 7.983 230 21 3080 1 2.88 2.5967 7.395 230 21 3124 1 2.68 1.9956 8.657 230 21 3125 1 2.90 1.7754 8.532 230 21 3149 1 2.79 2.7864 8.022 230 21 3420 1 2.77 2.6937 6.976 230 21 3610 1 2.95 3.0245 6.196 230 21 6893 1 2.97 1.9329 8.246 230 21 7064 1 2.99 2.0401 9.195 230 21 7114 1 2.81 2.5702 9.493 230 21 7124 1 2.75 2.8427 8.914 230 21 7125 1 2.74 2.5207 9.085 230 21 7267 1 2.84 2.0191 9.450 230 21 7407 1 2.94 1.8988 9.748 230 21 7590 1 2.77 2.7041 8.726 230 21 7591 1 2.98 2.1547 8.435 230 21 7592 1 2.89 2.7308 7.879 230 21 7836 1 2.82 1.8995 9.853 230 21 7859 1 2.77 1.7872 9.700 230 21 7864 1 2.76 2.6884 9.596 230 21 7865 1 2.81 2.5007 9.774 230 21 7924 1 2.64 2.7046 8.247 230 21 7925 1 2.77 2.7441 8.623 230 21 8041 1 2.94 1.8790 9.957 230 21 8105 1 2.84 1.8330 9.914 230 21 8324 1 2.77 2.6053 9.434 230 21 8325 1 2.70 2.3896 9.429 230 21 8375 1 2.65 2.7366 6.878 230 21 8410 1 2.81 2.6003 7.175 230 21 8411 1 2.90 2.6649 8.245 230 21 8412 1 2.83 2.5881 8.175 230 21 8587 1 2.68 2.4885 9.200 230 21 8588 1 2.94 2.0479 8.636 230 21 8589 1 2.87 2.6351 8.624 230 21 8641 1 2.70 2.7271 8.267 230 21 8662 1 2.85 3.0503 8.178 230 21 8664 1 2.91 3.0215 8.617 230 21 8668 1 2.59 3.0496 8.817 230 21 8685 1 2.91 1.9319 7.953 230 21 8803 1 2.80 1.8166 7.246 230 21 8810 1 2.84 2.6559 7.445 230 21 9246 1 2.85 2.5757 8.160 230 21 9451 1 2.84 2.3859 8.847 230 21 9452 1 2.76 3.0955 9.364 230 21 9455 1 3.00 2.2846 8.678 230 21 9456 1 2.74 2.7738 8.612 230 21 9457 1 2.74 2.3802 9.141 230 21 9458 1 2.63 2.6946 9.322 230 21 9459 1 2.73 2.9618 8.224 230 21 9460 1 2.88 2.6730 7.990 230 21 9492 1 2.81 2.2516 8.594 230 21 9497 1 2.64 3.0127 8.291 230 21 9501 1 2.95 2.6014 9.052 230 21 9545 1 2.70 3.0016 8.643 230 21 9649 1 2.81 2.8531 7.301 230 21 9650 1 2.89 3.0680 7.371 230 21 9651 1 2.98 2.7267 7.794 230 21 9655 1 2.98 2.0519 7.120 230 21 9656 1 2.78 2.6631 7.494 230 21 9683 1 2.83 2.5840 7.535 230 21 9685 1 2.82 2.3396 8.632 230 21 9687 1 2.66 2.5716 8.303 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 230 24 6673 1 2.84 2.1786 12.719 230 24 6674 1 2.89 2.4242 11.917 230 24 6675 1 2.92 2.1637 12.293 230 24 7319 1 2.94 2.1787 11.566 230 24 7320 1 2.93 2.3374 12.761 230 24 8978 1 2.91 2.6672 12.521 230 24 9260 1 2.88 2.8450 13.092 230 24 9877 1 2.86 2.8593 9.732 230 24 9878 1 2.73 2.6875 10.819 230 24 9889 1 2.96 2.6391 10.623 ## Starting information for simulation # 25 230 25 5799 1 2.81 2.4639 10.335 230 25 5800 1 2.91 2.8080 10.139 230 25 5804 1 2.63 2.4674 10.469 230 25 5805 1 2.77 2.7434 10.646 230 25 5806 1 2.80 2.8167 10.446 230 25 5807 1 2.82 2.5707 11.897 230 25 6223 1 2.87 2.8942 11.289 230 25 6224 1 2.71 3.0095 10.476 230 25 6225 1 2.80 2.8383 10.808 230 25 6226 1 2.69 2.7575 9.902 230 25 6227 1 2.65 2.7196 10.166 230 25 6228 1 2.63 2.8353 10.327 230 25 6229 1 2.89 2.9828 10.561 230 25 6230 1 2.76 2.9914 10.560 230 25 6231 1 2.78 2.7522 10.790 230 25 6236 1 2.72 2.3497 10.290 230 25 6242 1 2.73 2.6421 10.558 230 25 6243 1 2.70 2.8052 10.409 230 25 6244 1 2.77 2.7262 11.166 230 25 6245 1 2.74 2.7206 10.792 230 25 6246 1 2.86 2.7685 11.452 230 25 6247 1 3.00 1.9720 10.779 230 25 6248 1 2.86 2.5057 11.099 230 25 6249 1 2.85 2.9158 11.064 230 25 6250 1 2.87 2.0090 10.954 230 25 6251 1 2.84 1.8078 10.985 230 25 6343 1 2.81 2.8590 10.087 230 25 7537 1 2.85 2.3830 11.344 230 25 7544 1 2.90 2.4549 11.083 230 25 7552 1 2.88 1.9675 10.904 230 25 7553 1 2.91 2.2527 10.956 230 25 7554 1 3.00 1.8317 10.782 ## Starting information for simulation # 26 230 26 514 1 2.96 1.7673 9.125 ## Starting information for simulation # 27 230 27 2404 1 2.69 2.0204 10.221 230 27 2420 1 2.90 2.4761 9.583 230 27 2450 1 2.87 2.6819 10.536 230 27 2452 1 2.81 2.1223 10.727 230 27 2456 1 2.58 2.5664 10.822 230 27 2458 1 2.78 2.5990 10.569 230 27 2549 1 2.62 2.7603 12.000 230 27 2550 1 2.79 2.9083 11.512 230 27 2565 1 2.74 2.6171 11.142 230 27 3173 1 2.86 1.9078 11.311 230 27 3204 1 2.93 2.1767 11.171 230 27 3223 1 2.82 2.2550 10.294 230 27 3224 1 2.83 2.2835 10.687 230 27 4265 1 2.78 2.8035 10.337 230 27 4267 1 2.71 2.8747 10.674 230 27 4993 1 2.69 2.1800 9.867 230 27 4994 1 2.92 2.5696 9.942 230 27 5045 1 2.82 2.3531 10.816 230 27 5046 1 2.72 2.9536 10.938 230 27 5052 1 2.99 2.1576 10.206 230 27 5894 1 2.97 2.8273 10.675 230 27 6206 1 2.85 2.6829 9.663 230 27 6207 1 2.92 2.4758 10.072 230 27 6209 1 2.73 2.6933 9.482 230 27 6211 1 2.87 2.4659 9.757 230 27 6217 1 2.82 2.8828 9.554 230 27 6218 1 2.95 2.9340 9.684 230 27 6226 1 2.84 1.8702 9.851 230 27 6310 1 2.79 2.5964 11.544 230 27 6311 1 2.74 3.0773 11.187 230 27 6312 1 2.69 2.9202 11.350 230 27 6313 1 2.75 2.9175 11.439 230 27 7872 1 2.74 2.3152 10.861 230 27 7874 1 2.73 2.7890 10.976 230 27 7875 1 2.73 2.5759 9.834 ## Starting information for simulation # 28 230 28 9888 1 2.84 2.7348 10.760 230 28 9893 1 2.91 2.5602 10.348 230 28 9894 1 2.94 2.6556 10.337 230 28 9897 1 2.89 2.3203 10.943 230 28 9898 1 2.75 2.7300 11.770 230 28 9899 1 2.82 2.4733 11.269 ## Starting information for simulation # 29 ## Starting information for simulation # 30 230 30 4900 1 2.98 2.3483 10.597 230 30 4903 1 2.96 2.2275 10.686 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 230 33 1039 1 2.65 2.5719 13.438 230 33 1040 1 2.79 2.9011 13.056 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36 230 36 5732 1 2.97 1.8307 11.757