# Bonding information for index 309 -- 0MA_14@O4 0MA_15@H4O 0MA_15@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 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 309 7 3181 1 2.89 2.6379 8.446 309 7 3182 1 2.95 2.5320 7.950 309 7 3215 1 2.89 2.1421 7.557 309 7 3216 1 2.82 2.1417 7.708 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 309 11 5024 1 2.90 1.8045 10.402 309 11 5025 1 2.79 2.1067 10.339 309 11 5288 1 2.96 2.7921 12.015 309 11 5289 1 2.71 3.0083 10.667 309 11 5294 1 2.73 2.8666 11.312 309 11 5301 1 2.87 2.4285 11.975 309 11 5312 1 2.91 3.0060 10.948 309 11 5313 1 2.91 2.4335 11.489 309 11 5314 1 2.83 2.6754 10.798 309 11 5315 1 2.66 2.8653 10.620 309 11 5316 1 2.78 2.8947 10.619 309 11 5317 1 2.82 2.7378 10.995 309 11 5318 1 2.64 2.9741 10.896 309 11 5319 1 2.71 2.6420 10.734 309 11 5320 1 2.66 2.6928 10.858 309 11 5321 1 2.89 2.9210 10.421 309 11 5326 1 2.87 2.4995 10.157 309 11 5327 1 2.86 2.7949 10.390 309 11 5351 1 2.75 1.9959 10.439 309 11 5436 1 2.90 2.8166 10.909 309 11 5645 1 2.72 2.9159 10.738 309 11 7934 1 2.85 2.7385 12.083 309 11 7935 1 2.75 2.6510 11.777 309 11 7937 1 2.95 2.6965 11.282 309 11 7938 1 2.83 2.8847 11.634 309 11 7940 1 2.62 3.0712 12.025 309 11 7941 1 2.92 2.8265 11.462 309 11 8133 1 2.83 2.1775 12.075 309 11 8169 1 2.89 1.8579 12.145 309 11 8545 1 2.68 2.4147 13.269 309 11 8546 1 2.79 2.7822 13.831 309 11 8547 1 2.72 2.9904 13.309 309 11 8548 1 2.67 2.8140 13.485 309 11 8549 1 2.77 2.7369 13.332 309 11 8552 1 2.87 2.4464 12.602 309 11 8553 1 2.59 2.8199 13.190 309 11 8555 1 2.89 2.7787 13.175 309 11 8556 1 2.70 2.4878 13.153 309 11 8557 1 2.74 3.0519 12.645 309 11 8839 1 2.97 2.4657 9.262 309 11 8879 1 2.98 2.7125 9.025 309 11 8880 1 2.98 2.4531 9.093 309 11 8882 1 2.60 2.9731 7.815 309 11 8883 1 2.65 3.0160 7.923 309 11 8906 1 2.85 2.8634 8.661 309 11 8907 1 2.94 3.0458 8.703 309 11 8915 1 2.93 1.8953 7.991 309 11 8921 1 2.86 1.7935 7.771 309 11 9010 1 2.68 2.7632 9.228 309 11 9011 1 2.63 2.9313 9.674 309 11 9012 1 2.90 2.9503 10.133 309 11 9013 1 2.74 2.9850 10.443 309 11 9014 1 2.76 3.0098 10.299 309 11 9016 1 2.76 2.9853 9.700 309 11 9094 1 2.99 2.3337 8.944 309 11 9099 1 2.83 2.7740 9.659 309 11 9103 1 2.82 2.7419 9.389 309 11 9104 1 2.73 2.9328 9.058 309 11 9105 1 2.63 2.9904 9.733 309 11 9134 1 2.74 2.7443 9.259 309 11 9314 1 2.83 2.8104 8.588 309 11 9750 1 2.88 2.7405 8.983 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 309 15 1644 1 2.72 2.9928 9.005 309 15 2561 1 2.91 2.6330 11.022 309 15 2579 1 2.90 1.9471 12.814 309 15 2580 1 2.96 2.0673 12.665 309 15 3157 1 2.78 2.6915 11.466 309 15 3159 1 2.82 2.6204 11.867 309 15 3161 1 2.70 2.9376 11.311 309 15 3162 1 2.84 2.7869 11.669 309 15 3165 1 2.74 2.9761 11.730 309 15 3398 1 2.81 2.7629 11.469 309 15 3402 1 2.94 1.9047 11.924 309 15 3403 1 2.85 2.0405 11.249 309 15 3718 1 2.88 2.4570 12.018 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 309 18 757 1 2.78 2.2999 10.269 309 18 822 1 2.83 2.7085 10.432 309 18 823 1 2.85 2.5435 10.086 309 18 824 1 2.76 2.6063 10.917 309 18 1267 1 2.61 2.8251 11.538 309 18 2570 1 2.94 2.3496 11.087 309 18 3554 1 2.70 2.8369 11.711 309 18 3555 1 2.98 2.1698 11.829 309 18 4513 1 2.73 2.6318 11.293 309 18 4525 1 2.75 3.0118 10.864 309 18 4527 1 2.98 1.7477 10.580 309 18 4978 1 2.87 2.5048 12.395 309 18 4979 1 2.68 2.6922 12.595 309 18 4980 1 2.78 2.8865 12.291 309 18 5100 1 2.97 2.7208 12.378 309 18 6714 1 2.72 2.6314 11.331 309 18 6728 1 2.78 2.6147 12.262 309 18 7265 1 2.72 2.2016 11.457 309 18 7266 1 2.74 2.8908 11.315 309 18 7272 1 2.60 3.0344 10.459 309 18 7273 1 2.94 2.9232 10.748 309 18 7275 1 2.81 3.0584 10.886 309 18 7276 1 2.78 2.8488 11.640 309 18 7277 1 2.66 2.7248 11.425 309 18 7279 1 2.82 2.5643 10.184 309 18 7280 1 2.87 2.4914 10.644 309 18 7281 1 2.88 1.9105 11.273 309 18 8932 1 2.63 2.4955 11.474 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 309 22 4438 1 2.78 2.9341 13.154 309 22 5937 1 2.86 2.1787 12.185 309 22 5962 1 2.81 2.6848 12.137 309 22 7599 1 2.78 2.1345 13.060 309 22 7600 1 2.98 2.7595 12.841 309 22 7601 1 2.74 2.8722 12.263 309 22 7605 1 2.61 3.0684 12.105 309 22 7617 1 2.83 2.4767 11.883 309 22 7713 1 2.63 2.5821 11.841 309 22 7726 1 2.83 2.7115 12.051 309 22 7731 1 2.80 2.8902 13.227 309 22 7732 1 2.67 2.6944 13.106 309 22 7733 1 2.68 2.8508 12.501 309 22 8274 1 2.97 1.7524 13.524 309 22 8457 1 2.84 3.0210 12.827 309 22 8459 1 2.86 2.8821 12.471 309 22 8460 1 2.76 2.0906 12.484 309 22 8497 1 2.97 1.8422 12.608 309 22 8502 1 2.87 2.8596 12.903 309 22 8556 1 2.82 2.4279 12.622 309 22 8557 1 2.69 2.5399 13.354 309 22 8560 1 2.86 2.9743 12.779 309 22 8561 1 2.93 2.8209 12.901 309 22 8566 1 2.65 2.7331 13.194 309 22 8567 1 2.99 2.5317 12.804 309 22 8568 1 2.82 3.0390 13.590 309 22 8571 1 2.74 2.6986 12.714 309 22 8574 1 2.59 3.0568 12.840 309 22 8579 1 2.79 2.3180 12.715 309 22 8581 1 2.64 2.8015 12.730 309 22 8582 1 2.71 2.9540 12.623 309 22 8583 1 2.64 2.8973 12.519 309 22 8584 1 2.70 2.9188 12.733 309 22 8585 1 2.68 2.9020 12.226 309 22 8586 1 2.72 2.9732 13.068 309 22 8587 1 2.93 3.1120 12.614 309 22 8588 1 2.60 2.9154 12.892 309 22 8589 1 2.68 2.3776 12.998 309 22 8590 1 2.86 2.7192 12.726 309 22 8601 1 2.99 2.2254 11.866 309 22 8602 1 2.78 2.8253 12.383 309 22 8603 1 2.81 2.5373 12.597 309 22 8605 1 2.81 2.7153 12.759 309 22 8606 1 2.83 2.5280 13.182 309 22 9521 1 2.96 2.5767 12.911 309 22 9522 1 2.83 2.7597 12.170 309 22 9526 1 2.74 2.9575 12.594 309 22 9527 1 2.72 2.8653 12.258 309 22 9544 1 2.62 2.2934 12.373 309 22 9545 1 2.68 3.0747 12.404 309 22 9551 1 2.74 2.1760 12.692 309 22 9553 1 2.66 3.1082 12.552 309 22 9554 1 2.78 2.8056 12.802 309 22 9555 1 2.85 2.3411 12.923 309 22 9599 1 2.94 1.8721 11.897 309 22 9791 1 2.89 1.8383 12.034 309 22 9805 1 2.67 2.9384 12.342 309 22 9812 1 2.75 2.8921 11.351 309 22 9813 1 2.82 2.6924 11.440 309 22 9814 1 2.56 2.5969 11.574 309 22 9815 1 2.77 2.7289 11.887 309 22 9825 1 2.91 2.1500 11.776 309 22 9826 1 2.99 2.9091 12.034 309 22 9828 1 2.77 2.8267 10.892 309 22 9829 1 2.70 2.9050 11.456 309 22 9830 1 2.77 3.0081 11.806 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 309 26 1180 1 2.86 2.2011 9.708 309 26 1194 1 2.89 2.0798 8.998 309 26 1280 1 2.73 2.8818 8.665 309 26 2024 1 2.84 1.9226 7.030 309 26 2025 1 2.89 1.9891 6.716 309 26 2049 1 2.77 2.8457 10.223 309 26 2050 1 2.70 2.9162 9.769 309 26 2199 1 2.97 2.4544 7.386 309 26 2200 1 3.00 2.6688 7.075 309 26 2201 1 2.75 2.9647 6.426 309 26 2208 1 2.77 2.8446 7.469 309 26 2801 1 2.88 1.7854 9.187 309 26 2859 1 2.71 2.7344 8.536 309 26 2879 1 2.86 3.0049 8.989 309 26 4295 1 2.69 2.8236 11.456 309 26 4374 1 2.94 1.9826 12.481 309 26 5025 1 2.68 3.0674 11.772 309 26 5026 1 2.70 3.0208 12.064 309 26 5027 1 2.84 2.4334 12.215 309 26 5270 1 2.67 2.9161 11.106 309 26 5277 1 2.93 2.3469 11.852 ## Starting information for simulation # 27 ## 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 ## Starting information for simulation # 34 309 34 9093 1 2.73 2.7272 11.121 309 34 9094 1 2.66 2.8001 10.648 309 34 9146 1 2.82 2.6442 10.673 309 34 9359 1 2.79 3.0524 11.151 309 34 9366 1 2.94 1.8739 12.269 309 34 9377 1 2.98 2.2149 12.782 309 34 9414 1 2.88 2.7746 11.809 309 34 9415 1 2.83 3.0424 10.934 309 34 9416 1 2.70 3.0945 11.630 ## Starting information for simulation # 35 ## Starting information for simulation # 36