# Bonding information for index 378 -- 0MA_15@O2 0MA_14@H3O 0MA_14@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 # 7 378 7 788 1 2.95 2.5196 9.624 378 7 3459 1 2.74 2.6181 12.391 378 7 3484 1 2.95 2.7916 12.279 378 7 3485 1 2.94 2.9357 12.232 378 7 3486 1 2.84 2.8924 12.272 378 7 3487 1 2.71 3.0862 12.895 378 7 4303 1 2.58 2.7487 12.496 378 7 4306 1 2.66 2.6128 11.970 378 7 4307 1 2.91 2.7691 11.835 378 7 4309 1 2.78 2.7568 11.533 378 7 4310 1 2.83 2.8138 11.412 378 7 4311 1 2.67 3.0787 11.770 378 7 4312 1 2.76 2.9181 11.473 378 7 4314 1 2.81 2.9316 12.665 378 7 4315 1 2.73 2.8803 12.075 378 7 4316 1 2.77 3.0758 11.355 378 7 4317 1 2.83 2.6593 11.431 378 7 4318 1 2.98 2.9807 11.396 378 7 4319 1 2.81 2.6027 12.000 378 7 4322 1 2.91 2.7588 11.861 378 7 4323 1 2.70 2.7753 11.918 378 7 4341 1 3.00 2.4031 12.114 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 378 11 5049 1 2.82 2.9651 11.085 378 11 5546 1 2.84 3.0494 10.865 378 11 5547 1 2.93 2.5492 10.372 378 11 5548 1 2.57 2.9351 11.048 378 11 5549 1 2.90 2.7462 11.204 378 11 5550 1 2.72 3.0148 11.065 378 11 5551 1 2.66 2.7876 11.025 378 11 5552 1 2.89 2.5385 10.841 378 11 5554 1 2.85 2.7665 11.021 378 11 5888 1 2.99 1.7882 10.556 378 11 7442 1 2.89 2.8266 13.234 378 11 7443 1 2.93 2.6903 13.723 378 11 7444 1 2.87 2.8530 13.066 378 11 7479 1 2.62 2.2578 12.542 378 11 8350 1 2.72 2.5369 12.481 378 11 8356 1 2.99 1.7953 12.815 378 11 8358 1 2.75 2.7286 12.526 378 11 8360 1 2.64 2.6252 12.061 378 11 8361 1 2.89 2.6705 11.708 378 11 8365 1 3.00 2.6463 12.390 378 11 8366 1 2.76 3.0410 11.533 378 11 8367 1 2.57 3.0427 12.653 378 11 8368 1 2.89 2.0294 12.780 378 11 8371 1 2.85 2.7607 12.936 378 11 8372 1 3.00 2.7305 12.584 378 11 8373 1 2.78 2.5875 12.780 378 11 8374 1 2.68 2.5010 12.678 378 11 8375 1 2.76 2.7406 12.879 378 11 8383 1 2.60 2.7691 10.987 378 11 9220 1 2.89 2.7716 9.959 378 11 9287 1 2.94 2.8322 8.688 378 11 9288 1 2.62 2.8200 8.965 378 11 9289 1 2.71 2.8614 9.470 378 11 9290 1 2.57 2.7150 9.219 378 11 9291 1 2.91 2.7264 9.077 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 378 15 1348 1 2.83 3.0678 8.783 378 15 1349 1 2.83 2.9553 8.604 378 15 1350 1 2.64 2.8283 8.682 378 15 1351 1 2.66 2.8463 8.780 378 15 1359 1 2.95 2.7768 8.908 378 15 1363 1 2.73 2.7473 8.089 378 15 1364 1 2.81 3.0365 8.314 378 15 1365 1 2.72 2.9293 9.344 378 15 1366 1 2.89 3.0870 8.617 378 15 1367 1 2.92 2.2337 8.912 378 15 1368 1 2.71 2.8049 9.005 378 15 1375 1 2.97 2.7751 8.854 378 15 1377 1 2.70 2.4376 9.228 378 15 1378 1 2.96 2.3829 8.617 378 15 1405 1 2.83 2.6479 9.196 378 15 1406 1 2.76 2.9867 8.658 378 15 1407 1 2.67 2.8154 8.945 378 15 1408 1 2.72 2.9434 8.796 378 15 1410 1 2.76 2.4627 8.843 378 15 1411 1 2.67 2.8603 9.752 378 15 1412 1 2.93 2.8517 9.165 378 15 1413 1 2.57 3.0750 9.247 378 15 1414 1 2.75 2.8964 8.863 378 15 1468 1 2.97 2.6109 8.717 378 15 2072 1 2.86 2.9414 9.831 378 15 2144 1 2.70 2.8443 8.141 378 15 2145 1 2.82 2.8362 8.755 378 15 2146 1 2.85 2.4446 9.068 378 15 2363 1 2.86 3.0082 12.285 378 15 2364 1 2.91 2.9177 12.721 378 15 2365 1 2.99 2.8910 12.987 378 15 2367 1 2.58 2.7657 12.243 378 15 2368 1 2.78 2.4834 12.909 378 15 2369 1 2.87 2.9881 13.136 378 15 2370 1 2.74 2.7132 12.768 378 15 2371 1 2.94 2.8975 12.963 378 15 2372 1 2.77 3.0848 12.427 378 15 2381 1 2.77 2.7412 12.431 378 15 2382 1 2.63 3.0453 12.928 378 15 2383 1 2.71 2.9035 12.823 378 15 2384 1 2.89 2.9347 12.760 378 15 2385 1 2.67 2.8174 13.021 378 15 2386 1 2.80 2.6635 13.087 378 15 2387 1 2.72 2.8751 12.850 378 15 2389 1 2.65 2.8012 13.008 378 15 2390 1 2.72 2.9143 12.894 378 15 2391 1 2.76 3.1070 13.011 378 15 2392 1 2.83 2.9330 12.996 378 15 2393 1 2.96 2.7697 12.968 378 15 2394 1 2.73 2.9260 12.714 378 15 2395 1 2.70 3.0143 12.735 378 15 2396 1 2.84 2.9951 12.541 378 15 2397 1 2.67 2.9963 13.117 378 15 2398 1 2.69 2.8163 13.049 378 15 2400 1 2.68 2.7641 12.979 378 15 2401 1 2.81 2.9689 12.977 378 15 2403 1 2.73 2.8573 13.053 378 15 2405 1 2.96 2.2828 12.744 378 15 2406 1 2.68 2.8680 12.763 378 15 2409 1 2.79 2.6575 12.566 378 15 2413 1 2.68 2.2339 13.154 378 15 2418 1 2.65 2.9532 12.343 378 15 2420 1 2.82 2.7988 12.260 378 15 2422 1 2.82 2.5725 12.789 378 15 2436 1 2.97 1.8376 11.389 378 15 2437 1 2.90 3.0090 11.345 378 15 2439 1 2.64 2.7936 11.867 378 15 2440 1 2.69 2.6876 12.462 378 15 2494 1 2.67 2.8598 11.138 378 15 2495 1 2.83 2.9030 11.391 378 15 2669 1 2.85 2.9936 12.914 378 15 2670 1 2.85 2.2808 12.697 378 15 2671 1 2.93 2.8086 12.661 378 15 2672 1 2.75 2.7658 12.789 378 15 3533 1 2.90 2.3517 11.302 378 15 3602 1 2.71 2.6520 11.661 378 15 3607 1 2.65 2.6051 11.369 378 15 3608 1 2.83 2.5389 11.187 378 15 3611 1 2.67 2.9945 10.369 378 15 3613 1 2.80 3.0091 10.421 378 15 3615 1 2.84 2.7484 10.291 ## Starting information for simulation # 16 378 16 3116 1 2.99 2.9495 6.575 378 16 3689 1 2.81 2.7983 9.883 ## Starting information for simulation # 17 378 17 5580 1 2.82 2.7479 12.349 378 17 5581 1 2.82 2.7899 12.233 378 17 5582 1 2.64 2.8659 12.112 378 17 5583 1 2.85 2.8755 12.158 378 17 5645 1 2.86 2.3977 10.691 378 17 5646 1 2.75 2.4748 11.413 378 17 5689 1 2.90 2.7964 10.802 378 17 5691 1 2.59 2.7663 10.920 378 17 5692 1 2.73 3.0213 11.115 378 17 5699 1 2.92 2.9252 10.734 378 17 5700 1 2.97 2.8557 11.392 378 17 5717 1 2.83 2.9248 10.987 378 17 5728 1 2.96 1.7710 10.992 378 17 5865 1 2.89 1.8437 11.492 378 17 6028 1 2.68 2.6124 11.493 ## Starting information for simulation # 18 378 18 2090 1 2.60 2.8839 11.289 378 18 2091 1 2.72 2.8740 11.843 378 18 2092 1 2.73 2.7876 11.873 378 18 2093 1 2.62 2.8269 11.453 378 18 2094 1 2.61 2.7886 11.824 378 18 2099 1 2.71 2.7700 11.495 378 18 2101 1 2.76 2.4584 11.377 378 18 2102 1 2.80 2.8951 11.408 378 18 2103 1 2.85 2.9605 10.812 378 18 2104 1 2.60 3.0047 11.602 378 18 2105 1 2.84 2.8613 11.642 378 18 2106 1 2.74 2.5503 11.352 378 18 2390 1 2.65 2.8451 11.957 378 18 2391 1 2.84 2.5313 11.415 378 18 2396 1 2.87 2.1511 11.289 378 18 2397 1 2.73 2.8131 11.179 378 18 2401 1 2.78 2.8626 11.077 378 18 2805 1 2.81 2.2069 10.821 378 18 3243 1 2.71 2.7476 11.452 378 18 3753 1 2.90 2.8648 11.002 378 18 3755 1 2.81 2.4112 10.920 378 18 3784 1 2.91 2.9477 11.491 378 18 4378 1 2.98 2.0286 12.499 378 18 4459 1 2.83 2.9138 11.525 378 18 5045 1 3.00 2.9778 13.916 378 18 5536 1 2.94 2.7316 13.290 378 18 6040 1 2.68 3.0347 10.656 378 18 6041 1 2.81 3.0403 11.608 378 18 6748 1 2.95 2.0439 12.326 378 18 7597 1 2.97 2.6505 10.977 378 18 8289 1 2.92 2.0141 11.778 378 18 8745 1 2.94 1.8129 10.775 378 18 8751 1 2.69 2.7282 10.841 ## Starting information for simulation # 19 378 19 7648 1 2.89 2.6390 7.938 378 19 7649 1 2.86 2.8036 7.433 378 19 7652 1 2.66 2.9233 7.937 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 378 22 3379 1 2.95 2.7251 11.201 378 22 3393 1 2.82 2.6562 11.805 378 22 3407 1 2.73 3.0723 10.941 378 22 3624 1 2.72 2.1521 10.802 378 22 4348 1 2.80 2.6668 12.757 378 22 4349 1 2.63 2.1865 12.912 378 22 4357 1 2.85 2.1593 12.497 378 22 4814 1 2.93 3.0296 12.158 378 22 5397 1 2.93 2.6145 11.885 378 22 5403 1 2.89 2.5744 11.839 378 22 5477 1 2.90 1.8212 12.036 378 22 6357 1 2.95 2.7973 12.353 378 22 6813 1 2.90 2.1040 12.270 378 22 6814 1 2.77 2.9172 11.960 378 22 7972 1 3.00 1.7887 12.288 378 22 8979 1 2.82 2.9559 11.634 378 22 8980 1 2.68 2.7403 11.540 378 22 8981 1 2.90 2.8529 12.058 378 22 8982 1 2.85 2.7955 11.147 378 22 8983 1 2.83 2.6728 11.234 378 22 9016 1 2.80 2.7782 12.634 378 22 9693 1 2.66 3.0027 12.316 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 378 26 864 1 2.93 2.5675 10.503 378 26 2403 1 2.92 2.8123 9.625 378 26 2404 1 2.63 2.8978 10.550 378 26 2406 1 2.88 2.9879 9.519 378 26 2408 1 2.79 2.6980 8.716 378 26 2410 1 2.79 2.5488 9.427 378 26 2412 1 2.72 2.9123 9.791 378 26 2413 1 2.82 2.4633 9.785 378 26 2414 1 2.81 2.8370 10.501 378 26 2416 1 2.85 2.8541 10.316 378 26 2417 1 2.66 2.7571 10.195 378 26 3077 1 2.73 2.6717 10.591 378 26 3078 1 2.75 2.9959 10.335 378 26 3080 1 2.88 2.9265 9.651 378 26 3081 1 2.77 3.1178 9.391 378 26 3082 1 2.83 2.8028 9.731 378 26 3419 1 2.92 3.0678 10.445 378 26 3420 1 2.88 2.9163 9.987 378 26 3421 1 2.86 2.6929 10.194 378 26 3905 1 2.77 2.7175 10.033 378 26 4464 1 2.83 2.2282 13.120 378 26 4468 1 2.89 2.3959 11.686 378 26 6372 1 2.91 2.1805 13.107 378 26 6373 1 2.78 2.4247 12.881 ## 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 # 36 378 36 891 1 2.93 2.7658 7.892