# Bonding information for index 500 -- ACE_1@O 0MA_13@H6O 0MA_13@O6 # 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 # 4 500 4 2644 2 2.66 2.4633 11.582 500 4 4779 2 2.91 2.4443 9.953 500 4 4780 2 2.70 3.0397 10.098 500 4 4781 2 2.72 2.6063 10.222 500 4 6750 2 2.69 2.6272 11.640 500 4 6757 2 2.69 2.9717 11.621 500 4 6767 2 2.92 2.4287 11.277 500 4 6768 2 2.82 2.9164 11.195 ## Starting information for simulation # 5 500 5 1161 2 2.73 2.8163 9.425 500 5 1164 2 2.61 2.5170 9.185 500 5 1165 2 2.89 2.8355 8.761 500 5 1166 2 2.69 2.5155 9.096 500 5 1213 2 2.79 2.7133 9.366 500 5 1497 2 2.72 2.6857 8.242 500 5 1498 2 2.81 3.0313 8.498 500 5 2176 2 2.99 2.6880 8.609 500 5 2260 2 2.64 2.7257 9.165 500 5 2837 2 2.71 3.0232 8.249 500 5 2840 2 2.93 2.5805 9.316 500 5 2846 2 2.98 2.7908 9.141 500 5 3157 2 2.62 2.7347 8.796 500 5 3296 2 2.83 2.9955 7.123 500 5 3333 2 2.72 2.1511 9.292 500 5 3339 2 2.77 2.8388 8.270 500 5 3340 2 2.71 2.7789 9.085 500 5 3341 2 2.89 2.6493 8.663 500 5 3342 2 2.73 2.8451 8.920 500 5 3343 2 2.58 2.5664 8.613 500 5 3344 2 2.65 2.6057 8.570 500 5 3345 2 2.87 2.6655 8.534 500 5 9749 2 2.98 2.0310 9.340 500 5 9755 2 2.74 2.7912 9.313 500 5 9769 2 2.89 2.5071 8.813 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 500 10 3079 2 2.74 3.0128 8.164 500 10 3080 2 2.72 2.8112 8.421 500 10 3082 2 2.92 2.8068 8.456 500 10 3084 2 2.67 2.8816 8.372 500 10 3085 2 2.75 2.9536 8.024 500 10 3086 2 2.93 2.3643 8.160 500 10 3431 2 2.71 2.3516 9.336 500 10 3458 2 2.86 2.5066 10.663 500 10 3471 2 2.98 2.0448 9.897 500 10 3514 2 2.55 2.8835 8.835 500 10 3515 2 2.68 2.8056 9.418 500 10 3852 2 2.98 2.5952 9.235 500 10 3856 2 2.56 2.9840 9.186 500 10 3863 2 2.86 2.0709 9.765 500 10 4799 2 2.92 2.4549 10.781 500 10 4800 2 2.57 2.7799 11.058 500 10 4824 2 2.66 2.8640 11.022 500 10 4826 2 2.97 2.6979 10.585 500 10 4872 2 2.72 3.0197 11.435 500 10 4880 2 2.90 2.5685 11.306 500 10 5105 2 2.85 2.7144 10.312 500 10 5106 2 2.69 2.9072 10.023 500 10 5107 2 2.81 3.0111 9.989 500 10 5330 2 2.63 2.9515 10.501 500 10 5347 2 2.82 2.9732 10.569 500 10 5348 2 2.92 2.7762 10.738 500 10 5611 2 2.70 2.6911 11.265 500 10 5643 2 2.92 1.8454 11.859 500 10 6277 2 2.70 2.3473 11.477 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 500 13 9502 2 2.73 2.7970 10.750 500 13 9700 2 2.64 3.0038 10.416 ## Starting information for simulation # 14 500 14 5533 2 2.76 2.4924 6.327 ## Starting information for simulation # 15 ## Starting information for simulation # 16 500 16 6058 2 2.81 2.7827 6.747 500 16 6059 2 2.84 2.6098 6.646 500 16 6060 2 2.81 2.4269 6.488 500 16 6071 2 2.76 2.8489 6.452 500 16 6100 2 2.92 2.7311 6.441 500 16 6111 2 2.67 2.9721 6.635 500 16 6120 2 2.92 2.5175 6.598 500 16 6121 2 2.88 2.8616 6.390 500 16 6122 2 2.79 2.9105 6.479 500 16 6123 2 2.87 2.6608 6.506 500 16 6124 2 2.74 3.0809 6.600 500 16 6125 2 2.74 2.8857 6.490 500 16 6126 2 2.99 2.6829 6.479 500 16 6127 2 2.80 2.9738 6.568 500 16 6128 2 2.86 3.0053 6.508 500 16 6129 2 2.86 2.1337 6.688 500 16 6130 2 2.79 2.9504 6.484 500 16 6131 2 2.57 2.5988 6.611 500 16 6132 2 2.75 2.3358 6.603 500 16 6137 2 2.98 1.7507 6.554 500 16 6138 2 2.86 2.7545 6.495 500 16 6432 2 2.83 3.0519 6.398 500 16 6433 2 2.70 2.5117 6.526 500 16 6434 2 2.63 2.6837 6.413 500 16 6435 2 2.66 2.8359 6.693 500 16 6436 2 2.83 2.6764 6.412 500 16 6437 2 2.90 2.7630 6.402 500 16 6438 2 2.79 2.6983 6.269 500 16 6462 2 2.81 2.2465 6.679 500 16 6463 2 2.84 2.8085 6.758 500 16 6464 2 2.70 2.5445 6.430 500 16 6465 2 2.70 2.9417 6.492 500 16 6468 2 2.72 2.4170 6.991 500 16 6478 2 2.66 2.9231 6.611 500 16 6479 2 2.73 2.6601 6.518 500 16 6481 2 2.69 2.7581 6.829 500 16 6483 2 2.76 2.6068 6.643 500 16 6484 2 2.70 2.8507 6.570 500 16 6485 2 2.91 2.8129 6.515 500 16 6561 2 2.62 2.5975 7.824 500 16 6564 2 2.78 2.9209 7.548 500 16 6565 2 2.96 3.0982 7.624 500 16 6568 2 2.83 2.8457 7.949 500 16 6714 2 2.66 2.8099 8.945 500 16 6715 2 2.74 2.6152 8.445 500 16 6717 2 2.95 2.8428 8.648 500 16 6745 2 2.68 2.2821 9.305 500 16 7031 2 2.68 2.5284 6.477 500 16 7047 2 2.93 1.9864 6.330 500 16 7048 2 2.95 2.4166 6.298 500 16 7049 2 2.77 3.1324 6.403 500 16 7591 2 2.81 2.7856 6.889 500 16 7592 2 2.85 2.9942 6.560 500 16 7593 2 2.56 2.8315 6.884 500 16 7621 2 2.60 2.8909 6.498 500 16 7629 2 2.71 2.6799 6.731 500 16 7630 2 2.89 3.0127 6.373 500 16 7631 2 2.72 2.8492 6.806 500 16 7634 2 2.87 2.7404 6.557 500 16 7636 2 2.73 2.2715 6.445 500 16 7642 2 2.99 2.7856 6.267 500 16 7643 2 2.62 2.8172 6.354 500 16 7652 2 2.96 2.7712 6.590 500 16 7654 2 2.72 2.9528 6.343 500 16 8089 2 2.59 2.9183 6.507 500 16 8090 2 2.68 2.5461 6.914 500 16 8091 2 2.83 2.7681 6.722 500 16 8092 2 2.94 2.7667 6.178 500 16 8093 2 2.56 2.5450 6.824 500 16 8094 2 2.74 2.6554 6.137 500 16 8095 2 2.94 2.7665 6.507 500 16 8096 2 2.92 2.8803 6.389 500 16 8097 2 2.55 2.8917 6.453 500 16 8098 2 2.71 2.9261 6.363 500 16 8099 2 2.69 2.6832 6.372 500 16 8100 2 2.60 2.9914 6.607 500 16 8101 2 2.74 2.6768 6.549 500 16 8102 2 2.71 2.8605 6.321 500 16 8103 2 2.85 2.9582 6.275 500 16 8104 2 2.97 2.7546 6.513 500 16 8105 2 2.82 2.7041 6.252 500 16 8106 2 2.72 2.7808 6.562 500 16 8107 2 2.67 3.0014 6.470 500 16 8108 2 2.81 2.9987 6.441 500 16 8109 2 2.80 2.7784 6.515 500 16 8111 2 2.67 2.5841 6.566 500 16 8112 2 2.66 3.0008 6.480 500 16 8130 2 2.83 2.8384 6.436 500 16 8131 2 2.88 2.8744 6.495 500 16 8154 2 2.89 2.6018 6.589 500 16 8335 2 2.81 2.1408 6.525 500 16 8390 2 2.86 2.7064 6.370 500 16 8422 2 2.98 2.9879 6.472 500 16 8423 2 2.92 1.8424 6.363 500 16 8425 2 2.77 2.6525 6.230 500 16 8427 2 2.93 2.5375 6.570 500 16 8430 2 2.67 3.0037 6.547 500 16 8448 2 2.83 2.8975 6.608 500 16 8449 2 2.96 1.7970 7.161 500 16 8517 2 2.96 2.9558 7.470 500 16 8774 2 2.64 2.5447 6.629 500 16 8781 2 2.67 3.0226 6.353 500 16 8796 2 2.94 2.4113 6.512 500 16 8800 2 2.90 2.9808 6.614 500 16 8979 2 2.64 2.8681 6.738 500 16 8998 2 2.76 2.7697 6.673 500 16 9013 2 2.71 2.6809 6.529 500 16 9030 2 2.85 2.6389 6.260 500 16 9049 2 2.72 2.2625 6.288 500 16 9056 2 2.79 1.7481 6.685 500 16 9062 2 2.64 3.0301 6.875 500 16 9063 2 2.82 2.9703 6.532 500 16 9064 2 2.63 2.4232 6.483 500 16 9084 2 2.88 2.4554 6.706 500 16 9088 2 2.80 2.6963 6.449 500 16 9100 2 2.83 2.7919 6.500 500 16 9108 2 2.60 2.9429 6.398 500 16 9111 2 2.88 2.4241 6.445 500 16 9167 2 2.71 2.8424 6.899 500 16 9168 2 2.65 2.8371 6.314 500 16 9169 2 2.74 2.8845 6.612 500 16 9170 2 2.63 2.9469 6.537 500 16 9172 2 2.81 2.9638 6.583 500 16 9174 2 2.63 3.0632 6.634 500 16 9176 2 2.64 2.9598 6.573 500 16 9177 2 2.75 2.8078 6.769 500 16 9178 2 2.58 2.9975 6.639 500 16 9179 2 2.61 3.0735 6.711 500 16 9180 2 2.66 2.8360 6.540 500 16 9181 2 2.63 2.6429 6.496 500 16 9182 2 2.68 2.9717 6.814 500 16 9183 2 2.92 2.5844 6.436 500 16 9184 2 2.68 2.7329 6.940 500 16 9186 2 2.67 2.6968 6.479 500 16 9187 2 2.79 2.7743 6.420 500 16 9193 2 2.67 2.7313 6.565 500 16 9263 2 2.82 2.6404 6.595 500 16 9271 2 2.86 2.8020 6.479 ## Starting information for simulation # 17 ## Starting information for simulation # 18 500 18 250 2 2.84 2.7595 8.415 500 18 251 2 2.78 2.8197 8.116 500 18 257 2 2.71 2.7185 8.959 500 18 258 2 2.86 2.8441 7.828 500 18 259 2 2.71 2.9318 8.292 500 18 260 2 2.75 2.7646 8.214 500 18 266 2 2.74 2.6294 6.945 500 18 267 2 2.91 2.6573 7.441 500 18 4352 2 2.97 2.0267 12.159 500 18 4354 2 2.81 2.8668 12.338 500 18 4355 2 2.89 2.9685 12.799 ## Starting information for simulation # 19 ## Starting information for simulation # 20 500 20 970 2 2.95 2.8527 8.971 ## Starting information for simulation # 21 500 21 4640 2 2.73 2.8911 7.410 500 21 4642 2 2.73 2.6869 7.652 500 21 4643 2 2.66 2.9497 7.630 500 21 6756 2 2.91 2.5363 9.071 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 500 24 9639 2 2.81 2.6698 11.878 500 24 9640 2 2.81 2.9199 12.210 500 24 9641 2 2.69 2.4745 12.703 500 24 9642 2 2.88 3.0612 12.340 ## Starting information for simulation # 25 ## Starting information for simulation # 26 500 26 7182 2 2.81 1.7636 13.337 ## Starting information for simulation # 27 ## Starting information for simulation # 28 500 28 8029 2 2.83 2.6492 10.646 ## Starting information for simulation # 29 ## Starting information for simulation # 30 500 30 8603 2 2.84 2.5244 9.675 500 30 8607 2 2.71 2.6697 9.254 500 30 8609 2 2.71 2.6563 9.052 500 30 8610 2 2.69 2.8433 9.717 500 30 8611 2 2.72 2.9337 8.923 500 30 8612 2 2.70 2.8336 8.852 500 30 8613 2 2.78 2.4890 8.529 500 30 8630 2 2.80 2.8167 10.080 500 30 8642 2 2.63 2.9049 8.634 500 30 8643 2 2.98 2.6185 9.853 500 30 8644 2 2.73 2.9288 9.670 500 30 8645 2 2.77 2.9929 8.703 500 30 8646 2 2.79 2.5528 9.533 500 30 8661 2 2.58 2.7854 8.579 500 30 8747 2 2.88 2.2617 8.451 500 30 8749 2 2.68 2.8145 8.518 500 30 8760 2 2.59 2.8569 9.132 500 30 8761 2 2.94 2.9280 9.631 500 30 8764 2 2.84 2.9989 9.566 500 30 8765 2 2.79 2.9458 8.932 500 30 8960 2 2.78 2.8811 10.196 500 30 8983 2 2.80 3.0258 8.298 500 30 8984 2 2.81 2.6281 8.441 ## Starting information for simulation # 31 500 31 3774 2 2.94 2.2652 10.853 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 500 34 2264 2 2.95 2.4703 12.531 500 34 2265 2 2.68 2.8985 12.601 500 34 3063 2 2.86 2.7342 9.737 500 34 3065 2 2.95 2.9395 9.699 500 34 3293 2 2.87 2.8586 11.168 500 34 3704 2 2.77 2.3746 10.779 ## Starting information for simulation # 35 ## Starting information for simulation # 36