# Bonding information for index 5 -- 0VA_12@O2N 0VA_13@H3O 0VA_13@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 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 5 10 7187 1 2.89 2.5261 10.843 5 10 7188 1 2.88 2.6099 11.416 5 10 7189 1 2.84 2.7070 11.318 5 10 7190 1 2.86 2.6128 11.151 5 10 7191 1 2.90 2.9998 11.253 5 10 7192 1 2.90 2.5634 10.783 5 10 7193 1 2.63 2.9368 10.728 5 10 7206 1 2.68 2.7547 11.295 5 10 7208 1 2.71 2.9223 10.883 5 10 7209 1 2.77 2.8287 11.069 5 10 7210 1 2.71 2.7243 10.992 5 10 7211 1 2.69 2.5697 11.354 5 10 7212 1 2.70 2.7056 11.171 5 10 7213 1 2.73 2.7850 11.087 5 10 7215 1 2.84 2.8365 11.036 5 10 7216 1 2.71 2.7163 10.454 5 10 7217 1 2.72 2.8291 11.184 5 10 7218 1 2.68 3.0820 10.778 5 10 7219 1 2.53 2.7048 10.783 5 10 7220 1 2.90 2.6023 11.238 5 10 7221 1 2.68 2.6073 10.650 5 10 7222 1 2.76 2.8920 11.088 5 10 7223 1 2.73 2.8769 11.207 5 10 7224 1 2.79 2.8136 11.767 5 10 7225 1 2.78 2.9830 11.600 5 10 7227 1 2.65 2.5934 11.779 5 10 7228 1 2.64 2.9247 11.312 5 10 7229 1 2.67 2.6195 11.068 5 10 7230 1 2.74 2.9866 11.402 5 10 7231 1 2.56 3.0247 11.413 5 10 7232 1 2.62 2.7681 11.864 5 10 7233 1 2.80 2.6882 11.904 5 10 7234 1 2.55 2.9146 11.495 5 10 7235 1 2.90 2.8692 11.347 5 10 7237 1 2.85 2.8478 11.401 5 10 7238 1 2.69 2.7629 10.881 ## Starting information for simulation # 11 ## Starting information for simulation # 12 5 12 6275 1 2.72 2.8926 11.739 5 12 6276 1 2.87 2.9501 11.857 5 12 6277 1 2.78 2.8792 12.057 5 12 6278 1 2.75 2.8092 11.773 5 12 6279 1 2.75 2.8657 11.596 5 12 6280 1 2.76 3.0004 11.678 5 12 6282 1 2.53 2.5998 11.440 5 12 6283 1 2.65 2.5307 11.797 5 12 6284 1 2.59 2.8616 11.342 5 12 6288 1 2.78 2.8333 10.872 5 12 6289 1 2.87 2.7673 11.949 5 12 6296 1 2.83 2.5871 12.487 5 12 6300 1 2.73 2.8710 12.730 5 12 6301 1 2.62 2.6818 12.737 5 12 6302 1 2.73 2.2482 12.302 5 12 6303 1 2.82 1.9117 12.546 5 12 6304 1 2.92 2.5652 12.353 5 12 6305 1 2.89 2.2449 12.607 5 12 6306 1 2.83 2.7227 12.404 5 12 6307 1 2.64 2.8124 12.645 5 12 6308 1 2.84 2.8404 12.780 5 12 6310 1 2.76 2.3412 12.788 5 12 6312 1 2.70 2.9399 12.800 5 12 6313 1 2.83 3.0962 12.779 5 12 6314 1 2.91 3.0565 12.752 5 12 6315 1 2.64 2.7997 13.117 5 12 6316 1 2.62 3.0738 12.658 5 12 6317 1 2.79 2.7871 12.138 5 12 6318 1 2.75 2.9133 11.580 5 12 6319 1 2.70 2.8588 11.925 5 12 6330 1 2.75 2.8557 12.861 5 12 6331 1 2.83 2.6480 12.976 5 12 6357 1 2.78 2.9600 11.971 5 12 6358 1 2.69 3.1293 11.846 5 12 6359 1 2.69 2.7927 12.368 5 12 6360 1 2.74 2.7625 12.503 ## 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 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 5 21 1407 1 2.70 2.7553 11.982 5 21 1413 1 2.64 2.7916 10.890 5 21 1415 1 2.72 2.5255 11.202 5 21 1416 1 2.59 2.9202 11.665 5 21 1417 1 2.72 3.0358 11.468 5 21 1418 1 2.85 2.8422 11.807 5 21 1425 1 2.53 3.0437 12.230 5 21 1426 1 2.84 2.6100 12.360 5 21 1427 1 2.61 2.9706 12.571 5 21 1428 1 2.97 2.6837 12.077 5 21 1429 1 2.92 2.2201 10.922 5 21 1430 1 2.93 2.8709 11.451 5 21 1433 1 2.61 2.7680 10.884 5 21 1436 1 2.70 2.7341 10.431 5 21 1437 1 2.65 2.7611 11.024 5 21 1438 1 2.83 2.9355 11.508 5 21 1439 1 2.73 3.0953 11.665 5 21 1540 1 2.83 2.9316 12.218 5 21 1551 1 2.56 2.5922 10.951 5 21 1552 1 2.84 3.0037 11.323 5 21 1554 1 2.78 2.9638 11.634 5 21 1555 1 2.68 2.8864 11.067 5 21 1556 1 2.84 2.6609 10.964 5 21 1560 1 2.96 2.7270 11.094 5 21 1566 1 2.82 2.4931 11.187 5 21 1568 1 2.55 2.7637 11.519 5 21 1569 1 2.61 2.8094 11.742 5 21 1570 1 2.56 3.0945 11.113 5 21 1571 1 2.92 2.4174 11.474 5 21 1572 1 2.66 2.8700 11.606 5 21 1573 1 2.70 2.9511 11.197 5 21 1574 1 2.78 3.1008 10.902 5 21 1582 1 2.67 2.5299 11.635 5 21 1583 1 2.66 2.6976 11.199 5 21 1584 1 2.78 2.8490 11.287 5 21 1587 1 2.78 2.8594 11.453 5 21 1588 1 2.79 2.7167 11.297 5 21 1589 1 2.73 2.7193 11.264 5 21 1590 1 2.74 2.4395 10.953 5 21 1591 1 2.81 2.6800 11.319 5 21 1638 1 2.81 3.0530 12.561 5 21 1639 1 2.63 2.6248 12.286 5 21 1641 1 2.93 2.0544 12.609 5 21 1643 1 2.78 1.8346 12.599 5 21 1644 1 2.54 2.7256 12.844 5 21 1645 1 2.87 2.8643 12.553 5 21 1646 1 2.54 3.0543 12.393 5 21 1647 1 2.96 2.8767 12.578 5 21 1649 1 2.98 2.4016 12.459 5 21 1652 1 2.71 2.9473 12.979 5 21 1654 1 2.62 2.7141 12.718 5 21 1655 1 2.92 2.7516 12.629 5 21 1660 1 2.83 2.9162 12.786 5 21 1666 1 2.60 2.9232 12.748 5 21 1669 1 2.75 2.6566 12.541 5 21 1676 1 2.66 2.8972 12.278 5 21 1678 1 2.74 2.6447 12.036 5 21 1679 1 2.73 3.0601 12.318 5 21 1680 1 2.65 3.0199 12.560 5 21 1681 1 2.65 2.9581 12.638 5 21 1684 1 2.87 2.3455 12.606 5 21 1685 1 2.71 2.8957 11.887 5 21 1686 1 2.74 2.7967 12.498 5 21 3942 1 2.79 2.7322 10.610 5 21 3944 1 2.60 2.7524 11.561 5 21 3945 1 2.75 2.8852 11.498 5 21 3946 1 2.63 2.9815 11.200 5 21 3947 1 2.69 2.5507 12.055 5 21 3959 1 2.74 2.7936 11.588 5 21 3960 1 2.76 2.8284 11.313 5 21 3961 1 2.68 2.8107 11.486 5 21 3962 1 2.75 2.7229 11.617 5 21 3968 1 2.62 3.0243 11.575 5 21 3969 1 2.66 2.5729 11.827 5 21 3970 1 2.81 2.7313 11.780 5 21 3972 1 2.82 2.6141 11.839 5 21 3976 1 2.57 2.9364 12.119 5 21 3977 1 2.92 1.7554 12.594 5 21 3978 1 2.75 3.0002 12.477 5 21 3980 1 2.90 2.2918 12.022 5 21 3981 1 2.69 2.6858 12.272 5 21 3982 1 2.60 2.7231 12.331 5 21 3985 1 2.71 2.6565 11.398 5 21 3986 1 2.77 2.9559 11.444 5 21 3987 1 2.95 2.1228 11.863 5 21 3988 1 2.71 2.3818 11.885 5 21 3989 1 2.71 2.6903 12.277 5 21 3990 1 2.75 2.5238 12.121 5 21 3991 1 2.71 2.7987 11.960 5 21 3992 1 2.63 2.8770 12.266 5 21 4024 1 2.92 2.6835 11.825 5 21 4025 1 2.65 2.8700 12.106 5 21 4026 1 2.88 2.7439 11.772 5 21 4028 1 2.97 2.4504 11.704 5 21 4042 1 2.87 2.5738 12.056 5 21 4043 1 2.93 3.0665 12.272 5 21 4044 1 2.81 2.7055 12.215 5 21 4047 1 2.93 2.6911 12.074 5 21 4048 1 2.61 2.8337 11.657 5 21 4050 1 2.78 2.6973 11.660 5 21 4051 1 2.81 2.6785 12.179 5 21 4054 1 2.86 2.7002 12.553 5 21 4056 1 2.73 2.8142 12.425 5 21 4057 1 2.95 2.5467 12.278 5 21 4061 1 2.66 2.6907 11.782 5 21 4071 1 2.86 2.5859 11.861 5 21 4078 1 2.52 3.0400 12.094 5 21 4084 1 2.76 2.5963 11.692 5 21 4086 1 2.72 3.0592 12.498 5 21 4087 1 2.74 2.4838 12.422 5 21 4145 1 2.91 2.7394 12.248 5 21 4146 1 2.83 2.9452 12.679 5 21 4153 1 2.70 2.8107 12.739 5 21 4154 1 2.75 2.9702 12.157 5 21 4155 1 2.65 2.9052 12.403 5 21 4158 1 2.68 2.7886 12.351 5 21 4171 1 2.82 2.6524 12.422 5 21 4172 1 2.57 2.9302 11.839 5 21 4182 1 2.93 2.8814 12.134 5 21 4184 1 2.77 3.0255 12.378 5 21 4185 1 2.90 2.8808 12.440 5 21 4232 1 2.83 2.8171 12.169 5 21 4234 1 2.69 2.7588 12.317 5 21 4245 1 2.78 2.6914 12.542 5 21 4246 1 2.91 2.7043 12.412 5 21 4247 1 2.90 2.4201 12.147 ## 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 ## 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