# Bonding information for index 318 -- ACE_1@O 0VA_13@H6O 0VA_13@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 318 2 201 2 2.67 2.8578 12.657 318 2 202 2 2.70 2.2354 12.585 318 2 303 2 2.87 2.3702 12.488 318 2 320 2 2.91 2.3500 12.391 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 318 6 2168 2 2.66 2.8495 13.033 318 6 2169 2 2.65 2.7220 13.164 318 6 2172 2 2.67 2.8171 13.016 318 6 2173 2 2.69 2.9895 12.859 318 6 2174 2 2.70 3.1165 13.540 318 6 2175 2 2.92 2.3278 12.754 318 6 2177 2 2.91 3.0073 12.475 318 6 2178 2 2.86 2.5205 12.366 318 6 2179 2 2.78 2.8404 13.068 318 6 2180 2 2.76 2.6802 12.695 318 6 2182 2 2.52 3.0789 12.935 318 6 2183 2 2.61 3.0168 12.863 318 6 2184 2 2.87 2.7079 12.631 318 6 2185 2 2.99 2.6770 12.435 318 6 2187 2 2.62 2.1931 12.731 318 6 2189 2 2.98 2.6200 13.130 318 6 2190 2 2.65 3.0300 13.078 318 6 2192 2 2.67 2.7416 12.804 318 6 2193 2 2.76 2.8282 12.973 318 6 2194 2 2.75 2.8267 12.823 318 6 2195 2 2.74 2.5513 12.889 318 6 2275 2 2.62 2.7879 12.843 318 6 2276 2 2.63 2.9006 12.526 318 6 2277 2 2.71 2.7690 13.325 318 6 2278 2 2.60 2.8171 13.090 318 6 2279 2 2.71 2.9580 12.860 318 6 2280 2 2.84 2.9272 12.928 318 6 2281 2 2.62 2.6762 12.750 318 6 2282 2 2.51 2.5947 12.744 318 6 2283 2 2.76 3.0398 12.251 318 6 2293 2 2.92 2.8163 12.945 318 6 3630 2 2.66 2.5532 11.185 318 6 3631 2 2.74 2.7399 11.195 318 6 3632 2 2.95 2.3783 11.489 318 6 3633 2 2.67 2.6220 11.239 318 6 3634 2 2.72 2.9111 11.500 318 6 3635 2 2.66 2.9615 11.256 318 6 3636 2 2.81 2.7982 11.279 318 6 3637 2 2.76 2.9806 11.690 318 6 3638 2 2.61 2.8897 11.173 318 6 3639 2 2.78 2.6324 11.894 318 6 3642 2 2.80 3.0766 11.543 318 6 3643 2 2.85 2.7218 11.614 318 6 3649 2 2.95 2.9936 11.384 318 6 3835 2 2.68 2.8395 10.496 318 6 3842 2 2.77 2.4115 9.668 318 6 3878 2 2.88 2.2099 9.516 318 6 3882 2 2.77 2.3903 9.504 ## Starting information for simulation # 7 318 7 622 2 2.71 2.7790 12.394 318 7 623 2 2.73 2.8933 12.761 318 7 2503 2 2.92 2.8353 12.013 318 7 2504 2 2.73 2.6418 12.248 318 7 2512 2 2.83 2.2539 12.055 318 7 2513 2 2.91 1.9211 12.637 318 7 2514 2 2.54 2.9401 12.290 318 7 2557 2 2.73 3.0460 10.984 318 7 2558 2 2.66 2.9633 11.525 ## Starting information for simulation # 8 318 8 2437 2 2.81 2.5474 11.385 318 8 2439 2 2.99 2.9888 11.161 318 8 2469 2 2.72 2.8154 11.611 318 8 2470 2 2.91 2.6654 11.440 318 8 2471 2 2.48 2.9278 11.940 318 8 2472 2 2.89 2.4266 12.224 318 8 3662 2 2.80 2.3615 12.634 318 8 3933 2 2.64 2.7174 12.582 318 8 3936 2 2.60 2.6256 12.707 318 8 3937 2 2.71 2.9275 12.473 318 8 3939 2 2.76 2.8204 12.694 318 8 3940 2 2.84 2.9992 12.757 318 8 3941 2 2.64 2.3624 12.857 318 8 3942 2 3.00 2.8717 12.315 318 8 3943 2 2.80 3.0582 12.470 318 8 3944 2 2.76 2.9230 12.229 318 8 3945 2 2.96 2.6748 12.719 318 8 3978 2 2.78 2.4374 12.732 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 318 12 4955 2 2.99 1.8288 13.462 ## Starting information for simulation # 13 ## Starting information for simulation # 14 318 14 1028 2 2.52 2.9606 12.009 318 14 1029 2 2.90 2.9635 11.677 318 14 1398 2 2.97 2.8876 11.993 318 14 1512 2 2.62 2.9566 11.920 318 14 1513 2 2.73 3.0004 11.505 318 14 1514 2 2.88 2.6972 12.558 318 14 1515 2 2.62 3.0458 11.752 318 14 1516 2 2.99 2.8812 12.030 318 14 1517 2 2.72 2.9922 12.178 318 14 1518 2 2.67 2.9640 11.566 318 14 1519 2 2.76 2.7065 11.964 318 14 1520 2 2.78 2.9737 11.595 318 14 1521 2 2.59 2.9641 11.901 318 14 1522 2 2.83 2.7761 12.088 318 14 1523 2 2.68 2.7252 12.231 318 14 1524 2 2.61 2.4808 12.419 318 14 1525 2 2.67 2.9676 12.508 318 14 1526 2 2.70 3.1317 12.011 318 14 1529 2 2.84 3.0065 12.886 318 14 1530 2 2.78 2.6494 12.864 318 14 1531 2 2.88 2.7367 12.663 318 14 1532 2 2.89 2.4336 12.721 318 14 1533 2 2.74 2.9878 12.755 318 14 1534 2 2.77 2.6294 12.622 318 14 1535 2 2.68 2.8780 13.341 318 14 1536 2 2.85 2.9697 12.889 318 14 1538 2 2.83 3.0956 12.487 318 14 1540 2 2.65 2.8820 12.644 318 14 1541 2 2.58 2.9249 12.699 318 14 4104 2 2.79 2.4255 13.011 318 14 4105 2 2.70 2.5531 12.664 318 14 5540 2 2.92 2.0336 12.805 318 14 5541 2 2.65 2.7182 12.948 318 14 5542 2 2.63 2.6944 12.249 318 14 5543 2 2.77 2.6153 12.589 318 14 5544 2 2.63 2.9084 12.576 318 14 5580 2 2.78 2.9258 12.290 318 14 5591 2 2.80 1.8885 12.389 318 14 5592 2 2.68 2.4229 12.888 ## Starting information for simulation # 15 318 15 2914 2 2.58 2.8083 11.481 318 15 2915 2 2.64 2.9117 12.022 ## Starting information for simulation # 16 318 16 1103 2 2.59 2.6433 12.479 318 16 1104 2 2.79 2.3986 11.746 318 16 1105 2 2.71 2.9846 11.712 318 16 1529 2 2.72 2.8866 11.635 318 16 1617 2 2.80 2.8429 10.729 318 16 1618 2 2.78 2.6982 11.372 318 16 1723 2 2.81 2.8094 12.994 318 16 1724 2 2.83 2.8567 13.414 318 16 1725 2 2.77 2.7579 12.667 318 16 1727 2 2.71 3.0402 12.203 318 16 1729 2 2.86 2.9267 12.491 318 16 1730 2 2.95 2.3296 12.526 318 16 1749 2 2.87 2.7905 12.168 318 16 1751 2 2.58 2.6341 11.722 318 16 1986 2 2.80 3.0131 12.699 318 16 2028 2 2.84 2.8063 12.756 318 16 2029 2 2.61 2.6111 13.383 318 16 2030 2 2.59 3.0229 13.331 318 16 3767 2 2.95 2.0858 12.915 318 16 3768 2 2.78 2.8470 12.914 318 16 3854 2 2.66 2.9182 11.745 318 16 3855 2 2.78 2.6625 12.363 318 16 3856 2 2.67 2.8305 11.874 318 16 3909 2 2.83 2.6675 12.295 318 16 3912 2 2.98 2.3726 10.912 318 16 3913 2 2.73 2.9969 10.960 318 16 4188 2 2.70 2.9824 13.350 318 16 4189 2 2.72 2.5186 12.860 318 16 4190 2 2.74 2.7431 13.604 318 16 4191 2 2.81 1.7829 13.407 ## Starting information for simulation # 17 ## Starting information for simulation # 18 318 18 4041 2 2.93 2.3660 13.479 318 18 4060 2 2.89 2.7285 14.120 318 18 4121 2 2.97 2.3663 13.705 318 18 4167 2 2.93 1.8451 13.650 ## Starting information for simulation # 19 318 19 1765 2 2.80 2.7762 13.687 ## Starting information for simulation # 20 318 20 2219 2 2.59 2.8579 12.764 318 20 2220 2 2.85 2.9563 12.347 318 20 2223 2 2.90 2.4637 12.274 318 20 2224 2 2.99 2.9007 12.580 318 20 2225 2 2.77 2.6747 12.778 318 20 2226 2 2.67 2.5722 12.473 318 20 2227 2 2.72 2.8426 12.844 318 20 2230 2 2.77 2.5648 12.198 318 20 2231 2 2.71 2.8560 12.949 318 20 2232 2 2.97 2.6201 12.404 318 20 2233 2 2.97 2.9210 12.207 318 20 2235 2 2.68 2.9591 12.641 318 20 2236 2 2.76 2.7186 12.705 318 20 2238 2 2.81 2.8442 12.745 318 20 2263 2 2.91 2.2956 12.983 318 20 2264 2 2.74 2.6701 12.826 318 20 2266 2 2.81 2.2853 12.610 ## Starting information for simulation # 21 318 21 1151 2 2.87 2.5951 11.142 318 21 1345 2 2.71 2.8502 12.142 318 21 1346 2 2.60 2.8792 12.771 318 21 1349 2 2.94 2.9514 12.752 318 21 1350 2 2.63 2.8633 12.841 318 21 1351 2 2.72 3.0472 12.386 318 21 1352 2 2.61 2.9305 12.464 318 21 1353 2 2.66 2.8491 12.906 318 21 7845 2 2.65 2.7542 11.642 318 21 7846 2 2.90 2.3898 11.643 318 21 7847 2 2.58 2.6970 11.262 318 21 7848 2 2.76 2.5974 11.576 318 21 7849 2 2.71 2.6707 12.259 318 21 7852 2 2.71 2.8007 11.984 318 21 7853 2 2.68 2.7755 11.408 318 21 7854 2 2.68 2.9474 10.734 318 21 7855 2 2.67 2.9523 10.849 318 21 7856 2 2.74 2.9934 11.571 318 21 7857 2 2.86 2.7728 11.255 318 21 7858 2 2.69 2.9333 11.928 318 21 7859 2 2.83 2.7779 11.805 318 21 7860 2 2.72 2.9374 11.844 ## Starting information for simulation # 22 318 22 3332 2 2.90 2.6460 11.724 318 22 3333 2 2.84 2.9473 11.885 318 22 3334 2 2.84 1.7700 11.226 318 22 3337 2 2.62 2.7689 11.731 318 22 3338 2 2.78 3.0524 11.661 318 22 3339 2 2.54 2.9566 11.540 318 22 3340 2 2.56 2.9292 11.380 318 22 3341 2 2.65 2.8521 11.701 318 22 3342 2 2.67 2.8955 11.230 318 22 3536 2 2.65 2.9449 10.496 318 22 3537 2 2.82 2.7713 10.376 318 22 3538 2 2.86 2.9399 10.666 318 22 3539 2 2.70 2.8284 10.961 318 22 3540 2 2.60 2.9798 10.456 318 22 3541 2 2.66 2.9052 10.736 318 22 3545 2 2.86 2.7236 10.565 318 22 3546 2 2.97 2.6153 10.860 318 22 3547 2 2.76 2.7501 10.695 318 22 3601 2 2.78 2.8314 11.058 318 22 3604 2 2.72 2.7941 10.846 318 22 3605 2 2.77 3.0593 11.424 318 22 3703 2 2.86 2.5378 12.263 318 22 3704 2 2.73 2.6148 12.320 318 22 3705 2 2.80 2.4892 12.547 318 22 3706 2 2.60 2.4248 11.976 318 22 3708 2 2.90 2.7408 12.477 318 22 3711 2 2.50 3.1313 12.481 318 22 3714 2 2.84 2.6431 13.176 318 22 3715 2 2.75 2.8125 13.092 318 22 3716 2 2.72 3.0579 12.356 318 22 3717 2 2.83 2.6670 12.330 318 22 3731 2 2.78 2.8237 12.521 318 22 4168 2 2.75 3.0929 9.990 318 22 4172 2 2.81 2.9152 10.391 318 22 4173 2 2.61 2.9327 9.822 318 22 4174 2 2.67 2.8036 9.867 318 22 4175 2 2.79 2.8731 9.243 318 22 4176 2 2.72 3.0593 8.726 318 22 4177 2 2.62 3.0946 8.986 318 22 4178 2 2.63 2.8489 9.499 318 22 4179 2 2.53 2.6863 9.057 318 22 4180 2 2.60 2.8431 9.193 318 22 4181 2 2.72 2.3236 9.416 318 22 4182 2 2.60 3.0086 9.076 318 22 4183 2 2.67 2.9530 8.862 318 22 4198 2 2.85 3.0111 10.149 318 22 4209 2 2.81 2.7803 9.105 318 22 4210 2 2.81 2.8785 9.173 318 22 4211 2 2.65 3.0015 8.626 318 22 4212 2 2.61 2.8133 8.928 318 22 4213 2 2.69 2.7611 8.892 318 22 4217 2 2.70 1.7926 9.601 318 22 4218 2 2.69 2.2762 8.882 318 22 4239 2 2.76 2.6876 8.843 318 22 4241 2 2.59 2.8210 9.016 318 22 4242 2 2.72 2.9060 8.680 318 22 4244 2 2.90 2.0816 9.437 318 22 4245 2 2.80 2.8131 9.673 318 22 4255 2 2.69 2.4559 8.962 318 22 4263 2 2.73 2.4524 9.650 318 22 4265 2 2.65 2.6505 9.116 318 22 4266 2 2.73 2.6917 8.607 318 22 4267 2 2.74 2.8971 9.336 318 22 4268 2 2.71 2.4765 9.319 318 22 4269 2 2.81 2.3947 8.558 318 22 4271 2 2.88 3.0167 9.643 318 22 4272 2 2.82 2.9405 9.145 318 22 4274 2 2.87 2.1977 9.230 318 22 4275 2 2.74 2.7274 8.731 318 22 4276 2 2.88 2.9445 8.902 318 22 4277 2 2.67 3.0840 9.006 318 22 4278 2 2.57 2.8015 9.013 318 22 4279 2 2.90 2.4696 9.083 318 22 4280 2 2.97 2.8437 9.043 318 22 4281 2 2.71 2.5663 8.973 318 22 4284 2 2.61 2.8820 8.624 318 22 4285 2 2.69 2.7137 9.022 318 22 4286 2 2.79 2.5039 9.073 318 22 4306 2 2.87 1.8766 9.224 318 22 4309 2 2.81 3.1006 8.718 318 22 4310 2 2.75 2.6455 8.771 318 22 4311 2 2.83 3.0358 9.592 318 22 4312 2 2.64 2.8915 8.941 318 22 4313 2 2.73 2.7148 9.726 318 22 4320 2 2.83 2.9458 9.084 318 22 4321 2 2.73 2.5877 9.087 318 22 4338 2 2.85 2.7660 8.800 318 22 4419 2 2.59 2.0906 9.552 318 22 4431 2 2.62 2.7864 8.822 318 22 4467 2 2.62 2.7884 9.340 318 22 4579 2 2.98 2.2102 7.822 318 22 4584 2 2.96 1.8732 7.289 318 22 4605 2 2.83 2.0944 7.797 318 22 4646 2 2.71 2.7361 8.445 318 22 4647 2 2.93 2.0217 7.689 318 22 4668 2 2.75 2.1544 9.019 318 22 4669 2 2.70 2.5100 9.003 318 22 4684 2 2.66 2.9088 8.820 318 22 4685 2 2.83 2.4138 9.191 318 22 4686 2 2.75 3.0744 9.601 318 22 4687 2 2.74 2.8212 9.532 318 22 4689 2 2.64 3.0865 9.106 318 22 4719 2 2.96 1.8424 9.789 ## Starting information for simulation # 23 ## Starting information for simulation # 24 318 24 5237 2 2.65 3.0036 12.808 318 24 5238 2 2.99 2.5465 12.932 ## Starting information for simulation # 25 ## Starting information for simulation # 26 318 26 3168 2 2.93 2.0952 13.621 318 26 3212 2 2.58 2.8726 14.050 ## Starting information for simulation # 27 318 27 2199 2 2.93 2.6515 11.620 ## 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