# Bonding information for index 470 -- 0MA_15@O6 0MA_12@H4O 0MA_12@O4 # 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 # 4 470 4 185 1 2.91 2.8442 13.042 470 4 187 1 2.98 2.6477 13.301 470 4 188 1 2.97 2.8366 13.287 470 4 189 1 2.82 2.7324 12.792 470 4 190 1 2.62 2.4687 12.964 470 4 191 1 2.80 2.6553 12.850 470 4 192 1 2.77 2.3271 12.982 470 4 193 1 2.94 2.8380 13.039 470 4 441 1 2.77 3.0427 13.107 470 4 479 1 2.99 2.5866 12.676 470 4 480 1 2.89 2.6617 12.966 470 4 481 1 2.66 2.8041 12.103 470 4 482 1 2.70 2.8844 12.554 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## Starting information for simulation # 8 470 8 1124 1 3.00 2.8562 10.671 470 8 1274 1 2.87 2.2050 10.687 470 8 1275 1 2.67 2.8857 10.568 470 8 1312 1 2.75 2.8252 10.860 470 8 1401 1 2.75 2.8303 10.740 470 8 1402 1 2.85 2.0447 10.746 470 8 1917 1 2.78 2.6728 9.931 470 8 1920 1 2.67 2.5651 9.751 470 8 2041 1 2.75 2.5353 10.077 470 8 2042 1 2.89 2.6602 10.602 470 8 2046 1 2.75 2.7001 10.372 470 8 2050 1 2.88 2.9442 10.590 470 8 2275 1 2.77 2.9677 10.586 470 8 2376 1 2.75 2.8888 10.968 470 8 3017 1 2.65 3.0607 10.215 470 8 3018 1 2.57 3.0526 10.605 470 8 3019 1 2.70 3.1059 10.744 470 8 3022 1 2.66 2.9956 10.379 470 8 3024 1 2.86 2.8952 10.533 470 8 3025 1 2.67 2.5787 10.575 470 8 3026 1 2.87 2.8220 10.482 470 8 9878 1 2.69 2.9518 10.003 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 470 11 910 1 2.70 2.8181 12.296 470 11 916 1 2.91 2.1475 12.900 470 11 919 1 2.93 2.2030 12.616 470 11 920 1 2.92 2.4843 12.141 ## Starting information for simulation # 12 470 12 2579 1 2.97 2.5521 9.533 470 12 2580 1 2.62 2.8514 9.196 470 12 2583 1 2.84 2.6413 9.097 470 12 7538 1 2.82 2.5218 7.363 470 12 7539 1 2.73 2.7030 7.506 470 12 7540 1 2.86 2.8247 7.756 470 12 7549 1 2.99 1.9532 7.562 470 12 7550 1 2.85 2.6938 7.774 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 470 16 3737 1 2.70 2.5752 8.447 470 16 3789 1 2.96 2.5315 8.285 470 16 3816 1 2.72 2.2130 8.339 470 16 3817 1 2.71 2.6132 8.364 470 16 3824 1 2.84 2.8564 8.499 470 16 3837 1 2.74 2.8228 8.600 470 16 4056 1 2.78 2.8040 8.550 470 16 4057 1 2.74 2.8941 8.047 470 16 4058 1 2.69 2.8418 8.525 470 16 4059 1 2.88 2.5930 8.376 470 16 4060 1 2.78 2.4174 8.328 470 16 4061 1 2.78 2.3268 8.190 470 16 4063 1 2.72 2.9763 8.505 470 16 4064 1 2.78 2.7897 8.498 470 16 4065 1 2.80 2.6982 8.208 470 16 4066 1 2.82 2.6746 8.421 470 16 4068 1 2.81 2.8894 8.208 470 16 4072 1 2.72 2.5975 8.296 470 16 4100 1 2.59 2.8053 8.582 470 16 4101 1 2.84 2.8372 8.812 470 16 4102 1 2.88 1.9540 8.820 470 16 4103 1 2.62 3.0059 8.943 470 16 4104 1 2.85 2.5215 8.641 470 16 4106 1 2.88 2.7178 8.615 470 16 4107 1 2.70 2.9106 8.441 470 16 4112 1 2.78 3.0057 8.771 470 16 4145 1 2.99 1.8675 8.585 470 16 4150 1 2.83 2.1660 8.000 470 16 4151 1 2.81 1.8783 8.118 470 16 4153 1 2.99 2.4286 8.375 470 16 4154 1 2.81 2.5407 8.083 470 16 4174 1 2.79 2.8811 8.017 470 16 4177 1 2.73 2.8421 8.046 470 16 4193 1 2.73 2.5800 8.402 470 16 4194 1 2.71 2.8896 8.275 470 16 4195 1 2.66 2.8194 8.196 470 16 4198 1 2.88 2.8909 8.300 470 16 4199 1 2.97 2.2232 7.980 470 16 4230 1 2.77 2.5806 8.252 470 16 4287 1 2.80 2.0920 8.755 470 16 4319 1 2.93 2.1511 8.873 470 16 4387 1 2.72 2.7868 8.692 470 16 4389 1 2.83 2.4198 8.597 470 16 4390 1 2.72 2.8275 8.490 470 16 4409 1 2.87 2.9604 8.499 470 16 4451 1 2.97 2.2348 8.261 470 16 4481 1 2.81 1.7585 8.748 470 16 4519 1 2.74 1.7567 8.605 470 16 4579 1 2.93 1.9617 8.748 470 16 4595 1 2.90 2.3238 8.465 470 16 4603 1 2.84 2.9290 8.569 470 16 4623 1 2.81 2.6617 8.497 470 16 4686 1 2.84 3.0337 8.549 470 16 4687 1 2.64 2.8520 8.422 470 16 4719 1 2.75 2.8318 8.557 470 16 4720 1 2.79 2.8964 8.571 470 16 4721 1 2.69 3.0386 8.167 470 16 4722 1 2.70 2.6634 8.091 470 16 4725 1 2.81 2.3006 9.056 470 16 4786 1 2.67 2.8760 8.997 470 16 4807 1 2.98 1.9434 8.450 470 16 4809 1 2.93 2.7034 8.609 470 16 4827 1 2.84 2.7525 8.344 470 16 4828 1 2.82 2.5719 8.289 470 16 4830 1 2.81 2.7121 8.384 470 16 4834 1 2.97 2.4283 8.373 470 16 4882 1 2.88 2.1809 8.569 470 16 4917 1 2.90 2.3074 8.576 470 16 5003 1 2.87 2.9926 8.187 470 16 5004 1 2.92 2.7894 8.589 470 16 5005 1 2.82 2.6117 8.743 470 16 5058 1 2.81 2.6386 8.238 470 16 5060 1 2.70 3.0666 8.038 470 16 5063 1 2.84 2.8315 8.195 470 16 5065 1 2.74 2.7679 7.754 470 16 5068 1 2.82 3.1062 7.916 470 16 5102 1 2.80 1.9638 8.272 470 16 5104 1 2.78 2.3799 8.531 470 16 5106 1 2.81 2.8415 8.473 470 16 5162 1 2.74 2.9091 8.670 470 16 5163 1 2.92 2.8503 8.343 470 16 5292 1 2.97 2.7019 8.292 470 16 5320 1 2.84 2.7614 8.444 470 16 5321 1 2.74 2.9073 8.550 470 16 5322 1 2.90 2.6322 7.943 470 16 5326 1 2.80 2.8716 8.383 470 16 5347 1 2.90 2.9425 9.118 470 16 5348 1 2.84 3.0647 9.093 470 16 5353 1 2.83 3.0551 8.531 470 16 5354 1 2.94 2.7070 8.210 470 16 5355 1 2.75 2.6970 8.399 470 16 5356 1 2.95 2.8411 8.495 470 16 5357 1 2.89 2.6756 8.509 470 16 5358 1 2.91 2.9377 8.714 470 16 5359 1 2.97 2.9225 8.555 470 16 5364 1 2.86 2.5644 8.680 470 16 5366 1 2.80 2.3892 8.676 470 16 5370 1 2.77 2.5133 8.819 470 16 5384 1 2.95 2.5300 8.599 470 16 5419 1 2.92 2.6857 8.621 470 16 5422 1 2.77 2.6246 8.654 470 16 5434 1 2.90 1.7759 8.532 470 16 5442 1 2.77 2.7364 8.536 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 470 19 80 1 2.66 2.8964 11.903 470 19 81 1 2.64 3.0102 11.873 470 19 83 1 2.70 2.7529 11.904 470 19 84 1 2.71 2.9302 12.241 470 19 87 1 2.82 3.0162 12.858 470 19 91 1 2.88 2.7184 12.303 470 19 3839 1 2.77 2.8707 12.675 470 19 3840 1 2.61 2.5725 12.757 470 19 3842 1 2.98 2.4888 12.781 470 19 3995 1 2.88 2.7463 12.230 470 19 4395 1 2.91 2.9102 13.708 470 19 4396 1 2.79 2.9234 13.421 470 19 4397 1 2.89 2.5533 13.428 470 19 4399 1 2.98 2.2237 13.581 470 19 4401 1 2.90 2.4711 12.963 470 19 4481 1 2.75 3.0483 11.217 470 19 4502 1 2.84 3.0228 11.076 ## Starting information for simulation # 20 ## Starting information for simulation # 21 470 21 2919 1 2.86 2.2639 7.443 470 21 2920 1 2.95 2.7627 7.938 470 21 2921 1 2.69 2.9597 7.678 ## Starting information for simulation # 22 ## Starting information for simulation # 23 470 23 461 1 2.98 3.0550 12.468 470 23 462 1 2.91 2.0901 12.504 ## Starting information for simulation # 24 470 24 7290 1 2.90 2.6332 12.784 ## 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 # 32 470 32 166 1 2.72 2.8020 10.652 470 32 167 1 2.79 2.4380 10.762 470 32 168 1 2.81 2.5103 10.727 470 32 169 1 2.72 3.0352 10.497 470 32 184 1 2.83 2.8444 10.276 470 32 186 1 2.76 2.5444 10.250 470 32 618 1 2.73 2.8209 12.892 470 32 619 1 2.78 2.9530 11.983 470 32 621 1 2.82 2.6658 12.234 470 32 622 1 2.88 3.0435 12.062 470 32 625 1 2.72 2.6526 11.901 ## Starting information for simulation # 33 470 33 185 1 2.91 2.8442 13.042 470 33 187 1 2.98 2.6477 13.301 470 33 188 1 2.97 2.8366 13.287 470 33 189 1 2.82 2.7324 12.792 470 33 190 1 2.62 2.4687 12.964 470 33 191 1 2.80 2.6553 12.850 470 33 192 1 2.77 2.3271 12.982 470 33 193 1 2.94 2.8380 13.039 470 33 441 1 2.77 3.0427 13.107 470 33 479 1 2.99 2.5866 12.676 470 33 480 1 2.89 2.6617 12.966 470 33 481 1 2.66 2.8041 12.103 470 33 482 1 2.70 2.8844 12.554 470 33 1434 1 2.69 3.0127 13.464 470 33 1435 1 3.00 2.4617 13.682 470 33 1450 1 2.81 3.0516 12.760 470 33 1451 1 2.93 2.2326 12.737 470 33 1452 1 2.65 2.3249 12.774 470 33 1453 1 2.73 2.6648 12.695 470 33 1743 1 2.90 2.1564 12.258 470 33 1745 1 2.73 2.8260 12.168 470 33 1746 1 2.81 3.0335 12.907 470 33 1749 1 2.67 2.6162 12.717 470 33 2484 1 2.92 2.0054 12.490 ## Starting information for simulation # 34 470 34 171 1 2.95 2.0202 12.388 470 34 5170 1 2.91 2.5592 11.854 470 34 5173 1 2.94 2.7254 12.060 470 34 5179 1 2.71 2.9944 12.229 ## Starting information for simulation # 35 470 35 1134 1 2.78 2.5738 13.253 470 35 1312 1 2.89 2.0680 12.407 470 35 3605 1 2.86 2.3566 12.955 470 35 3606 1 2.66 2.7646 12.922 470 35 3607 1 2.80 3.0706 13.212 470 35 3608 1 2.86 2.5214 13.507 470 35 3609 1 2.69 2.8143 12.901 470 35 3610 1 2.77 2.7334 13.459 470 35 3611 1 2.88 2.9636 13.107 470 35 3612 1 2.98 2.4532 12.539 470 35 3614 1 2.93 2.5713 13.422 470 35 3615 1 2.58 2.5517 13.199 470 35 3616 1 2.96 2.4775 13.129 470 35 3621 1 2.66 2.9720 12.906 470 35 3622 1 2.71 2.7326 13.150 470 35 3623 1 2.90 2.0145 13.494 470 35 3624 1 2.65 2.8863 13.484 470 35 3625 1 2.84 2.5073 13.259 470 35 3629 1 2.72 2.5596 13.454 470 35 3722 1 2.70 2.6451 12.915 ## Starting information for simulation # 36 470 36 1247 1 3.00 1.9355 8.511 470 36 1248 1 2.78 2.6204 8.203 470 36 1249 1 2.79 2.7983 7.694 470 36 1257 1 2.93 2.9215 7.681