# Bonding information for index 315 -- ACE_1@O 0VA_12@H3O 0VA_12@O3 # 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 # 7 315 7 8827 2 2.82 2.8942 12.318 315 7 8828 2 2.74 2.5802 12.674 315 7 8912 2 2.86 2.9671 12.543 315 7 8913 2 2.77 2.7881 12.596 315 7 9292 2 2.70 3.0611 12.808 315 7 9293 2 2.96 2.9963 12.877 315 7 9295 2 2.72 2.7330 13.667 315 7 9301 2 2.92 3.0230 13.112 315 7 9302 2 2.94 2.8510 12.927 315 7 9303 2 2.65 2.7097 13.029 315 7 9372 2 2.69 2.6429 11.420 315 7 9375 2 2.98 2.5655 11.973 315 7 9676 2 2.82 2.6021 12.327 315 7 9677 2 2.82 2.9015 11.899 315 7 9900 2 2.66 2.9838 12.132 315 7 9901 2 2.68 2.8514 12.640 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 315 11 5598 2 2.88 2.4821 12.168 ## Starting information for simulation # 12 315 12 3190 2 2.85 2.6626 12.724 315 12 3191 2 2.83 2.6062 12.570 315 12 3192 2 2.72 2.1590 12.361 315 12 3193 2 2.89 2.7478 12.131 315 12 3195 2 2.57 2.5647 13.103 315 12 3198 2 2.87 2.7723 13.427 315 12 3328 2 2.93 2.9903 12.781 315 12 3330 2 2.72 2.8243 12.919 315 12 3331 2 2.88 2.9574 13.044 315 12 3332 2 2.87 2.6754 13.617 315 12 3889 2 2.74 2.9788 12.519 315 12 3891 2 2.83 2.6474 11.856 315 12 3902 2 2.76 2.6453 10.962 315 12 3904 2 2.85 2.6719 11.815 315 12 3905 2 2.64 2.8247 12.042 315 12 3906 2 2.74 2.8441 12.428 315 12 3927 2 2.78 2.9320 11.790 315 12 3928 2 2.86 2.6825 11.603 315 12 4017 2 2.83 2.3955 13.228 315 12 4018 2 2.97 3.0167 13.638 315 12 4036 2 2.86 2.6075 12.281 315 12 5516 2 2.83 2.8786 11.265 315 12 5517 2 2.76 2.9344 11.365 315 12 5518 2 2.69 2.7923 11.157 315 12 5704 2 2.77 3.0463 12.214 315 12 5705 2 2.73 2.6439 11.930 315 12 5707 2 2.70 2.9738 11.634 315 12 5708 2 2.97 2.6446 11.651 315 12 5709 2 2.95 2.8906 11.815 315 12 5711 2 2.74 2.8085 11.539 315 12 5713 2 2.94 2.9778 10.750 315 12 5898 2 2.88 2.3339 12.132 315 12 5999 2 2.81 2.7603 12.994 315 12 6000 2 2.78 2.9391 13.105 315 12 6001 2 2.80 2.9644 13.071 315 12 6075 2 2.95 3.0651 11.463 315 12 6217 2 2.93 3.0052 12.093 315 12 6218 2 2.91 2.7955 11.725 315 12 6219 2 2.68 2.7357 11.642 315 12 6220 2 2.94 2.8758 11.675 315 12 6545 2 2.73 2.7066 10.266 315 12 6902 2 2.90 2.8955 11.837 315 12 7001 2 2.77 2.8531 11.422 315 12 7009 2 2.73 2.9797 12.505 315 12 7010 2 2.73 2.9873 12.478 315 12 7080 2 2.81 3.0344 12.400 315 12 7082 2 2.75 2.6242 12.349 315 12 7083 2 2.70 3.0032 12.185 315 12 7084 2 2.69 2.4279 12.518 315 12 7085 2 2.80 2.5563 12.408 315 12 7090 2 2.93 3.0806 12.995 315 12 7091 2 2.88 2.8040 12.837 315 12 7136 2 2.97 2.5873 12.846 315 12 7142 2 2.90 2.9761 12.847 315 12 7143 2 2.65 2.3048 13.123 315 12 7144 2 2.73 2.6494 13.026 315 12 7146 2 2.99 2.9004 12.094 315 12 7147 2 2.98 2.9573 12.611 315 12 7148 2 2.69 2.7615 13.390 315 12 7149 2 2.95 2.5830 12.615 315 12 7270 2 2.69 2.8470 10.981 315 12 7865 2 2.75 2.8002 13.079 315 12 7867 2 2.85 2.5248 13.029 315 12 8066 2 2.96 2.8390 12.014 315 12 8069 2 2.98 3.0055 12.012 315 12 8070 2 2.86 2.9467 13.064 315 12 8136 2 2.83 2.7149 13.014 315 12 8177 2 2.79 2.4946 12.296 315 12 8185 2 2.94 2.7222 12.096 315 12 8205 2 2.98 2.4454 12.753 315 12 8206 2 2.69 2.6946 12.687 315 12 8258 2 2.97 2.7293 11.536 315 12 8266 2 2.65 3.0200 11.410 315 12 8267 2 2.83 2.8439 10.765 315 12 8268 2 2.82 2.9555 10.579 315 12 8271 2 2.79 2.5390 10.960 315 12 8272 2 2.73 2.6197 10.311 315 12 8274 2 2.77 2.6707 11.045 315 12 8275 2 2.60 2.7926 11.200 315 12 8277 2 2.74 2.7337 11.140 315 12 8278 2 2.67 2.8276 9.960 315 12 8279 2 2.79 2.9983 11.063 315 12 8280 2 2.86 2.8953 10.970 315 12 8459 2 2.72 2.5661 12.434 315 12 8460 2 2.85 2.7799 12.042 315 12 8461 2 2.73 2.4267 12.084 315 12 8462 2 2.76 2.6703 11.982 315 12 8660 2 2.81 2.9973 11.974 315 12 8748 2 2.74 2.8623 10.754 315 12 8832 2 2.97 2.7466 11.967 315 12 8833 2 2.94 2.7617 12.166 315 12 8879 2 2.99 2.9871 10.966 315 12 8901 2 2.68 2.8687 13.027 315 12 9001 2 2.93 2.8864 12.077 315 12 9003 2 2.93 2.7955 11.749 315 12 9049 2 2.71 2.7267 11.397 315 12 9098 2 2.66 2.5669 12.290 315 12 9139 2 2.82 2.9915 10.958 315 12 9363 2 2.78 2.6925 13.749 315 12 9364 2 2.87 2.9566 13.173 315 12 9367 2 2.62 2.7863 12.831 315 12 9409 2 2.94 2.4342 12.673 315 12 9410 2 2.84 2.7072 13.133 315 12 9516 2 2.63 2.9113 12.533 315 12 9622 2 2.91 2.9224 13.391 315 12 9641 2 2.98 2.0116 11.327 315 12 9660 2 2.78 2.8326 10.933 315 12 9682 2 2.98 2.6268 11.602 315 12 9776 2 2.87 2.8309 12.029 315 12 9777 2 2.78 2.8956 12.500 315 12 9778 2 2.72 2.9665 12.368 315 12 9781 2 2.82 2.9210 12.355 315 12 9782 2 2.90 2.7995 12.556 315 12 9900 2 2.87 3.0534 12.018 315 12 9917 2 2.86 2.7848 11.320 ## 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 # 18 315 18 6848 2 2.93 2.3188 11.758 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 315 21 1448 2 2.74 2.8146 11.745 315 21 1449 2 2.75 2.5695 11.588 315 21 1511 2 2.85 2.8380 11.966 315 21 1554 2 2.80 2.7854 11.634 315 21 2087 2 2.76 2.6558 13.175 315 21 2090 2 2.82 2.5431 12.974 315 21 2284 2 2.79 2.5950 13.053 315 21 2287 2 2.92 2.9528 12.661 315 21 2294 2 2.88 2.7811 13.146 315 21 2473 2 2.78 2.9268 12.061 315 21 2564 2 2.87 2.9151 12.180 315 21 2690 2 2.83 2.8438 13.611 315 21 2691 2 2.74 2.8978 13.564 315 21 2692 2 2.88 2.8374 13.550 315 21 2693 2 2.77 2.9343 13.310 315 21 2760 2 2.85 2.8798 12.945 315 21 3135 2 2.73 2.3749 11.948 315 21 3345 2 2.94 3.0377 12.906 315 21 3365 2 2.77 2.9767 12.932 315 21 3366 2 2.92 2.0086 12.862 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 315 26 35 2 2.94 2.7407 12.598 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 315 29 3967 2 2.96 2.4300 12.128 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32