# Bonding information for index 431 -- 0MA_15@O4 0MA_14@H6O 0MA_14@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 431 2 6322 1 2.77 2.5629 8.247 431 2 6325 1 2.87 2.7992 8.693 431 2 6326 1 2.70 2.8187 8.686 431 2 6332 1 2.84 2.6565 9.013 431 2 6334 1 2.77 2.6944 8.530 431 2 6335 1 2.70 2.8819 9.179 431 2 6336 1 2.83 2.6493 8.412 431 2 6337 1 2.92 2.6020 8.907 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 431 7 8621 1 2.85 2.6706 9.964 431 7 9467 1 2.74 2.8497 11.757 431 7 9468 1 2.76 2.8142 11.616 431 7 9469 1 2.91 2.5561 11.990 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 431 10 8138 1 2.71 2.5454 7.803 431 10 8139 1 2.64 3.0549 7.447 431 10 8182 1 2.72 2.4746 8.313 431 10 8191 1 2.96 2.0505 7.945 431 10 8207 1 2.74 2.4716 6.969 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 431 15 8879 1 2.97 2.3993 11.758 431 15 8911 1 2.65 2.7232 12.191 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 431 18 7267 1 2.72 2.9525 10.721 431 18 7269 1 2.85 2.6806 10.415 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 431 21 4174 1 2.72 2.6204 7.618 431 21 4200 1 2.68 2.8891 7.860 431 21 4201 1 2.69 3.0650 8.243 431 21 4202 1 2.95 2.8119 7.694 431 21 4203 1 2.94 3.0443 7.304 431 21 4204 1 2.95 2.5763 7.189 431 21 4205 1 2.84 2.3126 7.388 431 21 4206 1 2.93 2.8975 7.378 431 21 4218 1 2.94 2.3865 8.442 431 21 4219 1 2.93 2.6465 7.900 431 21 4221 1 2.75 2.7744 7.914 431 21 4226 1 2.95 2.5648 7.604 431 21 4234 1 2.83 2.8064 7.572 431 21 4237 1 2.65 2.7676 7.357 431 21 4244 1 2.70 2.7714 7.771 ## Starting information for simulation # 22 ## Starting information for simulation # 23 431 23 4874 1 2.93 2.8399 11.249 431 23 4875 1 2.75 2.8085 10.619 431 23 4886 1 2.82 2.9838 10.540 431 23 4888 1 2.75 2.5783 11.140 431 23 4889 1 2.81 2.4178 11.547 431 23 4890 1 2.81 2.8287 10.809 431 23 4891 1 2.91 2.8589 11.101 431 23 4892 1 2.81 2.9815 11.253 431 23 4893 1 2.89 2.5038 11.087 431 23 4908 1 2.85 2.4566 10.968 431 23 4912 1 2.98 2.1678 10.876 431 23 4913 1 2.81 2.6237 10.861 431 23 4914 1 2.67 2.7064 11.123 431 23 4916 1 2.82 2.8640 11.211 431 23 4917 1 2.79 2.7929 11.845 431 23 4920 1 2.74 3.0368 10.803 431 23 4921 1 2.65 2.7386 10.877 431 23 4928 1 2.74 2.9321 10.607 431 23 5280 1 2.99 2.6150 10.258 431 23 5282 1 2.86 2.9489 10.611 431 23 5286 1 2.90 2.4914 10.001 431 23 5430 1 2.76 2.6088 10.889 431 23 5431 1 2.89 2.6285 11.150 431 23 5432 1 2.60 3.0771 11.045 431 23 5433 1 2.60 2.6064 11.074 431 23 5434 1 2.84 2.7689 11.850 431 23 5435 1 2.70 2.8716 11.562 431 23 5436 1 2.79 3.0650 10.870 431 23 5437 1 2.91 2.5217 11.298 431 23 5438 1 2.68 2.9954 10.579 431 23 5450 1 2.90 2.6534 8.540 431 23 5536 1 2.84 2.9463 10.344 431 23 5537 1 2.65 2.7825 10.422 431 23 5688 1 2.85 2.5335 9.706 431 23 5689 1 2.76 2.9022 9.954 431 23 5767 1 2.94 2.6149 9.572 431 23 5798 1 2.98 2.8562 10.103 431 23 5799 1 2.53 2.5168 10.273 431 23 5800 1 2.85 2.6822 10.104 431 23 5802 1 2.91 2.8233 9.688 431 23 6327 1 2.79 2.5544 10.728 431 23 6328 1 2.73 3.0013 10.648 431 23 7514 1 2.98 2.7411 10.579 431 23 7515 1 2.97 2.8450 11.104 431 23 7517 1 2.84 2.4450 11.001 431 23 7518 1 2.71 2.8513 10.312 431 23 7519 1 2.92 2.9619 10.884 431 23 7520 1 2.69 2.6304 10.487 431 23 7522 1 2.78 2.4740 10.254 431 23 7524 1 2.79 2.9970 10.608 431 23 7525 1 2.80 2.8255 10.691 431 23 7526 1 2.70 2.9355 11.137 431 23 7527 1 2.79 3.0180 10.859 431 23 7528 1 2.65 2.9872 10.583 431 23 7529 1 2.89 2.7213 10.573 431 23 7530 1 2.72 3.0159 10.418 431 23 7531 1 2.77 3.0535 10.490 431 23 7532 1 2.92 2.9872 10.277 431 23 7533 1 2.81 2.6454 9.797 431 23 7535 1 2.83 2.9132 9.805 431 23 7537 1 2.82 2.5530 9.509 431 23 7810 1 2.80 2.8520 9.624 431 23 9092 1 2.77 2.6186 10.542 431 23 9486 1 2.86 2.1021 10.890 431 23 9831 1 2.84 2.4344 9.599 431 23 9843 1 2.75 2.4234 10.284 431 23 9844 1 2.93 2.5074 9.782 431 23 9846 1 2.89 2.4922 9.929 431 23 9848 1 2.73 2.7775 10.509 431 23 9941 1 3.00 1.7575 8.371 ## Starting information for simulation # 24 431 24 8625 1 2.79 2.9908 12.248 ## Starting information for simulation # 25 ## Starting information for simulation # 26 431 26 1304 1 2.75 2.7389 7.362 431 26 1305 1 2.63 2.5229 8.214 431 26 1306 1 2.64 2.9167 7.305 431 26 1369 1 2.89 2.5997 7.544 431 26 1478 1 2.77 2.7608 7.238 431 26 1479 1 2.94 2.8924 7.336 431 26 1480 1 2.83 2.9734 7.238 431 26 1481 1 2.93 2.7464 7.098 431 26 1482 1 2.81 2.7739 6.810 431 26 1483 1 3.00 2.7512 6.862 431 26 1484 1 2.66 2.6814 6.899 431 26 1485 1 2.78 2.8774 7.459 431 26 1486 1 2.66 2.5655 7.518 431 26 1487 1 2.95 2.6570 7.654 431 26 1597 1 2.99 2.2223 7.995 431 26 1599 1 2.84 2.7459 7.554 431 26 1600 1 2.60 2.9253 6.719 431 26 1601 1 2.68 2.6814 6.990 431 26 1611 1 2.77 3.0004 6.859 431 26 1612 1 2.62 2.9386 7.271 431 26 1613 1 2.87 2.6870 7.480 431 26 1614 1 2.95 2.7006 7.166 431 26 1615 1 2.86 2.9624 6.989 431 26 1980 1 2.85 2.4688 7.073 431 26 1981 1 2.96 2.6561 6.939 431 26 1982 1 2.92 2.8449 7.031 431 26 1983 1 2.71 2.6137 6.584 431 26 1985 1 2.83 2.9435 6.981 431 26 1986 1 2.76 2.6669 7.063 431 26 1987 1 2.66 2.7992 7.430 431 26 1988 1 2.73 2.7582 7.006 431 26 1989 1 2.79 2.8188 7.431 431 26 1990 1 2.78 2.8238 7.210 431 26 1998 1 2.71 2.6702 8.318 431 26 1999 1 2.80 2.9609 8.040 431 26 2007 1 2.94 2.9335 7.394 431 26 2008 1 2.93 2.5382 7.741 ## 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 ## Starting information for simulation # 35 ## Starting information for simulation # 36