# Bonding information for index 316 -- ACE_1@O 0VA_12@H6O 0VA_12@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 316 2 2358 2 2.70 2.4010 12.018 316 2 2362 2 2.86 2.5649 12.029 316 2 2363 2 2.88 2.7329 12.135 316 2 2364 2 2.93 2.6760 11.927 316 2 2365 2 2.74 2.9158 11.630 316 2 2367 2 2.92 2.1860 11.073 316 2 2368 2 2.77 2.4865 11.138 316 2 2369 2 2.73 2.8670 11.080 316 2 2370 2 2.71 2.7577 10.655 316 2 2372 2 2.98 2.5226 10.771 316 2 2373 2 2.87 2.1207 10.688 316 2 2374 2 2.70 2.5346 10.745 316 2 2375 2 2.76 2.5502 10.638 316 2 2380 2 2.80 2.4108 11.053 316 2 2382 2 2.90 2.9022 11.530 316 2 8171 2 2.76 1.8699 11.464 316 2 9143 2 2.73 3.0271 10.647 ## Starting information for simulation # 3 316 3 205 2 2.87 3.0384 11.384 316 3 206 2 2.78 2.7533 11.540 316 3 207 2 2.81 2.7465 11.167 316 3 1656 2 2.88 2.7842 12.355 316 3 1670 2 2.74 2.7779 12.123 316 3 6141 2 2.76 2.6243 12.114 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 316 6 6893 2 2.96 1.8463 11.711 316 6 6895 2 2.88 2.9169 11.984 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 316 10 267 2 2.66 2.9951 12.952 316 10 268 2 2.58 2.8246 12.977 316 10 270 2 2.89 2.2592 12.681 316 10 271 2 2.83 2.5086 12.851 316 10 274 2 2.69 2.7684 12.843 316 10 275 2 2.72 2.8592 12.911 316 10 276 2 2.59 2.9278 13.528 316 10 280 2 2.93 2.6428 13.325 316 10 281 2 2.92 2.6565 12.926 316 10 282 2 2.69 2.7610 12.988 316 10 284 2 2.67 2.9515 13.168 316 10 286 2 2.54 2.8034 13.218 316 10 287 2 2.60 2.7261 13.620 316 10 1046 2 2.83 2.2600 13.722 316 10 2103 2 2.79 2.4264 11.589 316 10 2104 2 2.84 2.5466 11.907 316 10 2109 2 2.82 2.5246 12.188 316 10 2111 2 2.91 2.8117 11.981 316 10 2113 2 2.65 2.6868 11.839 316 10 2115 2 2.78 2.9684 12.595 316 10 2116 2 2.60 3.1167 13.015 316 10 2117 2 2.83 2.7466 12.747 316 10 2118 2 2.76 2.8315 12.606 316 10 2119 2 2.79 2.5088 12.840 316 10 2120 2 2.68 3.0039 12.723 316 10 3993 2 2.74 2.8925 12.784 316 10 3994 2 2.66 3.0604 12.746 316 10 3996 2 2.66 2.9841 12.422 316 10 4245 2 2.67 3.0238 12.159 316 10 4246 2 2.58 3.1147 12.514 316 10 4247 2 2.80 3.0119 13.140 316 10 4248 2 2.67 2.8958 12.683 316 10 4249 2 2.72 2.9928 12.868 316 10 5664 2 2.86 2.7352 12.619 316 10 5666 2 2.75 2.9436 12.791 316 10 5667 2 2.92 2.7986 13.197 316 10 5669 2 2.94 2.9838 12.665 316 10 5670 2 2.83 3.0165 12.448 316 10 5671 2 2.93 3.0055 13.015 316 10 5673 2 2.70 3.0748 12.593 316 10 5674 2 2.77 2.9615 12.379 316 10 7704 2 2.94 2.6609 11.010 316 10 7708 2 2.48 2.8401 10.655 316 10 7709 2 2.98 2.5734 11.378 316 10 7710 2 2.78 2.8239 10.765 316 10 8930 2 2.88 2.8270 10.782 316 10 8933 2 2.79 2.9234 10.825 316 10 8937 2 2.84 2.7041 10.360 ## Starting information for simulation # 11 316 11 1772 2 2.95 2.6519 11.927 316 11 1773 2 2.86 2.8108 12.556 316 11 1774 2 2.90 2.7752 12.866 316 11 1776 2 2.85 2.9032 13.088 316 11 1778 2 2.88 2.8324 12.571 316 11 1780 2 2.97 2.4406 12.388 ## Starting information for simulation # 12 ## Starting information for simulation # 13 316 13 1426 2 2.91 2.7792 11.046 316 13 1770 2 2.65 2.7474 11.636 316 13 1771 2 2.63 3.0786 11.498 316 13 1772 2 2.77 2.7713 11.429 316 13 1773 2 2.76 2.7330 11.590 316 13 1774 2 2.67 2.9158 11.560 316 13 1777 2 2.69 3.0761 11.291 316 13 2315 2 2.68 2.7025 13.464 316 13 2318 2 2.72 2.6412 12.879 316 13 7802 2 2.66 2.7431 11.570 316 13 7803 2 2.88 2.8979 11.939 316 13 7805 2 2.61 2.7337 12.200 316 13 7806 2 3.00 2.8723 12.288 316 13 7807 2 2.59 2.8852 12.764 316 13 7808 2 2.89 2.2123 12.416 316 13 7809 2 2.71 3.0217 12.993 316 13 7821 2 2.93 2.9182 12.938 316 13 7823 2 2.83 2.4605 12.979 316 13 7825 2 2.83 2.9321 13.023 316 13 7830 2 2.82 2.8698 12.769 316 13 7859 2 2.82 2.3413 12.347 316 13 7861 2 2.88 2.2954 12.695 316 13 9086 2 2.79 2.9762 13.175 316 13 9087 2 2.77 2.5666 13.190 316 13 9088 2 2.87 3.0099 12.531 316 13 9091 2 2.80 2.6777 12.756 316 13 9092 2 2.66 2.8641 12.305 316 13 9094 2 2.96 2.9104 12.334 316 13 10514 2 2.80 2.4947 11.454 316 13 10515 2 2.99 2.4981 10.874 316 13 10517 2 2.97 1.8129 11.071 316 13 10520 2 2.82 2.4838 11.063 316 13 10523 2 2.95 2.6928 11.423 316 13 12587 2 2.77 2.7475 12.728 316 13 12589 2 2.68 2.9377 13.063 316 13 12590 2 2.92 2.7590 12.933 316 13 12614 2 2.72 2.6943 12.655 ## Starting information for simulation # 14 ## Starting information for simulation # 15 316 15 5149 2 2.88 2.7020 12.222 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 316 18 637 2 2.87 3.0607 12.268 316 18 638 2 2.67 3.0025 12.505 316 18 639 2 2.69 3.0372 12.592 316 18 640 2 2.67 2.2107 12.458 316 18 2188 2 2.86 2.0390 12.395 316 18 2190 2 2.71 2.7710 11.783 316 18 5045 2 2.66 2.9543 13.443 316 18 5046 2 2.70 2.8992 12.884 316 18 5047 2 2.89 3.0786 12.857 316 18 6917 2 2.71 2.6979 12.695 316 18 6933 2 2.97 2.8246 13.452 316 18 6950 2 2.82 2.6084 12.830 316 18 6953 2 2.81 2.9637 13.156 316 18 6954 2 2.87 3.0338 13.203 316 18 6955 2 2.62 2.4719 12.726 316 18 6956 2 2.67 2.8620 12.692 316 18 6958 2 2.70 2.7504 12.223 316 18 6960 2 2.88 2.8583 12.822 316 18 6961 2 2.58 3.0884 12.902 316 18 6963 2 2.67 2.9356 12.462 316 18 6964 2 2.64 3.0355 12.827 316 18 6965 2 2.61 2.9730 12.686 316 18 7297 2 2.62 2.6595 12.134 316 18 7382 2 2.67 2.7099 12.673 316 18 7544 2 2.88 2.6378 13.767 316 18 8187 2 2.96 2.4372 13.948 ## Starting information for simulation # 19 316 19 111 2 2.97 2.7514 13.073 316 19 410 2 2.79 2.9965 14.000 316 19 1175 2 2.83 2.9399 12.755 316 19 1176 2 2.78 3.0881 12.257 316 19 1177 2 2.60 2.7910 12.658 316 19 1178 2 2.79 2.8695 13.337 316 19 1184 2 2.75 2.7337 12.909 316 19 2225 2 2.83 2.8486 12.247 316 19 2286 2 2.72 2.8882 11.261 316 19 2413 2 2.89 2.9187 13.025 316 19 2414 2 2.84 2.6145 12.953 316 19 2417 2 2.93 2.5715 13.105 316 19 2418 2 3.00 3.0093 12.690 316 19 2425 2 2.68 2.8880 12.876 316 19 2426 2 2.90 2.8590 12.979 316 19 2427 2 2.55 3.0480 13.176 316 19 2546 2 2.96 2.9473 12.740 316 19 2974 2 2.58 2.9210 12.567 316 19 3240 2 2.89 3.1051 11.592 316 19 3241 2 2.98 2.3765 11.200 316 19 3244 2 2.72 2.9599 11.680 316 19 3245 2 2.63 3.0299 12.102 316 19 3246 2 2.73 2.6460 12.291 316 19 3247 2 2.58 2.7754 12.025 316 19 3249 2 2.74 2.6760 11.738 316 19 3250 2 2.74 2.6664 12.309 316 19 7003 2 2.63 2.5469 10.999 316 19 7004 2 2.80 2.7315 11.118 316 19 7008 2 2.65 2.8040 11.075 316 19 7009 2 2.72 2.6729 10.633 316 19 7011 2 2.92 2.7027 11.414 316 19 7012 2 2.75 2.8936 12.128 316 19 7015 2 2.73 2.8810 11.814 316 19 7017 2 2.82 2.9598 11.275 316 19 7018 2 2.71 2.9928 11.295 316 19 7019 2 2.76 2.8161 11.662 316 19 7020 2 2.70 2.9541 10.938 316 19 7025 2 2.89 2.8445 11.335 ## Starting information for simulation # 20 316 20 1154 2 2.90 2.3117 11.153 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 316 24 1141 2 2.98 2.3323 13.097 316 24 1145 2 2.82 2.8186 12.837 316 24 1146 2 2.90 1.8952 12.499 316 24 1167 2 2.74 2.8535 13.460 316 24 3134 2 2.79 2.9990 12.127 ## Starting information for simulation # 25 ## Starting information for simulation # 26 316 26 329 2 2.87 2.6566 13.409 316 26 330 2 2.83 2.8149 14.499 316 26 331 2 2.82 2.8626 13.962 316 26 332 2 2.85 2.7874 13.874 316 26 334 2 2.94 2.8714 13.842 316 26 335 2 2.86 3.0325 13.842 316 26 336 2 2.65 2.8077 13.830 316 26 339 2 2.93 2.4320 13.640 316 26 639 2 2.75 2.9475 12.836 316 26 4297 2 2.75 2.8174 13.194 ## Starting information for simulation # 27 316 27 430 2 2.84 2.3945 10.739 316 27 4251 2 2.83 2.6877 12.979 316 27 9679 2 2.59 2.8771 11.019 316 27 9682 2 2.86 2.9458 10.732 316 27 9684 2 2.73 3.1126 10.923 316 27 9685 2 2.98 2.8723 10.366 316 27 9687 2 2.74 2.3772 11.322 316 27 9688 2 2.80 2.7587 10.527 316 27 9689 2 2.84 2.7682 10.927 316 27 9690 2 2.96 2.4121 10.365 316 27 9691 2 2.59 2.8488 10.720 316 27 9692 2 2.61 2.9568 11.294 316 27 9693 2 2.78 2.6262 11.376 316 27 9695 2 2.88 3.0065 10.737 316 27 9696 2 2.65 2.8917 10.279 316 27 9698 2 2.88 2.7638 10.865 316 27 9709 2 2.78 2.8214 10.879 316 27 9710 2 2.79 3.0982 10.286 316 27 9718 2 2.83 2.9024 11.687 316 27 9726 2 2.74 3.0127 10.831 316 27 9730 2 2.85 2.7619 10.109 ## Starting information for simulation # 28 316 28 9018 2 2.84 2.7378 11.793 316 28 9021 2 2.70 2.9617 12.393 316 28 9026 2 2.57 2.4208 12.135 ## Starting information for simulation # 29 316 29 938 2 2.97 2.6379 12.801 316 29 940 2 2.89 2.6805 13.010 316 29 941 2 2.68 2.9001 12.651 316 29 1866 2 2.80 2.9552 13.036 316 29 1867 2 2.86 2.4164 13.310 316 29 1868 2 2.94 2.7779 13.165 316 29 1869 2 2.81 2.7236 13.512 316 29 5196 2 2.85 2.7761 12.117 316 29 5197 2 2.66 2.9296 12.591 316 29 5200 2 2.74 2.7890 12.734 316 29 5201 2 2.74 3.0024 11.993 316 29 6504 2 2.61 2.4157 12.284 316 29 6505 2 2.79 2.7352 12.456 316 29 6506 2 2.92 2.9660 12.536 316 29 6508 2 2.96 2.9255 12.833 316 29 6512 2 2.81 3.0312 12.750 316 29 6514 2 2.82 2.1872 13.006 316 29 6517 2 2.67 2.7476 12.544 316 29 6519 2 2.81 2.6700 12.542 316 29 6520 2 2.75 2.6894 12.564 316 29 6521 2 2.76 2.7180 12.253 316 29 6522 2 2.72 2.8383 12.858 316 29 6528 2 2.79 2.5286 12.364 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32