# Bonding information for index 34 -- 0MA_12@O3 0MA_14@H4O 0MA_14@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 ## 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 34 9 394 1 2.72 2.6914 12.925 34 9 426 1 2.77 2.9927 12.296 34 9 451 1 2.92 2.4084 12.365 34 9 482 1 2.89 2.9634 13.102 34 9 483 1 2.69 2.5697 12.610 34 9 484 1 2.79 2.5618 13.018 34 9 507 1 2.93 1.9124 13.279 34 9 568 1 2.69 2.8680 12.948 34 9 682 1 2.85 2.7026 12.610 34 9 702 1 2.82 2.7649 12.907 34 9 778 1 2.89 2.5080 12.674 34 9 825 1 2.97 2.8669 12.407 34 9 955 1 2.63 3.0750 13.339 34 9 995 1 2.82 2.2287 12.066 34 9 1083 1 2.91 1.9502 12.895 34 9 1101 1 2.81 2.1926 13.456 34 9 1102 1 3.00 2.0770 13.385 34 9 1107 1 2.94 2.3655 13.327 34 9 1120 1 2.76 2.7882 12.908 34 9 1195 1 2.83 3.1097 12.616 34 9 1196 1 2.71 2.9139 12.921 34 9 1345 1 2.82 2.0955 12.482 34 9 1408 1 2.77 2.7802 12.404 34 9 1409 1 2.98 2.9018 12.482 34 9 1410 1 2.64 2.5993 11.942 34 9 1843 1 2.69 3.0160 12.149 34 9 1844 1 2.76 3.0119 12.319 34 9 1845 1 2.63 2.6769 12.281 34 9 1877 1 3.00 1.8792 13.156 34 9 1882 1 2.83 2.2133 12.338 34 9 1947 1 2.84 3.0397 12.492 34 9 2100 1 2.90 2.4377 13.004 ## Starting information for simulation # 10 ## Starting information for simulation # 11 34 11 1799 1 2.86 2.6535 12.413 34 11 1954 1 2.80 2.9518 12.808 34 11 2585 1 2.83 2.5429 12.640 34 11 2586 1 2.97 2.9915 12.463 34 11 2751 1 2.75 2.9397 13.725 34 11 3016 1 3.00 2.4128 12.078 34 11 3966 1 2.88 2.8196 12.455 34 11 3971 1 2.95 2.2644 12.897 ## Starting information for simulation # 12 ## Starting information for simulation # 13 34 13 146 1 2.85 2.9007 10.957 34 13 147 1 2.60 2.8069 11.166 34 13 165 1 2.68 2.8515 11.832 34 13 605 1 2.71 2.8136 11.424 34 13 606 1 2.60 2.8065 11.288 34 13 607 1 2.63 2.7656 11.107 34 13 867 1 2.93 1.7661 11.816 34 13 1021 1 2.74 2.6881 10.370 34 13 1133 1 2.87 2.1775 10.979 34 13 1601 1 2.90 2.9029 11.944 34 13 1969 1 2.77 2.5788 11.650 34 13 1976 1 2.84 2.7684 11.825 34 13 2362 1 2.89 1.9732 11.830 34 13 2693 1 2.89 1.7509 11.642 34 13 2710 1 2.61 2.5721 11.525 34 13 5341 1 2.93 1.7947 12.451 34 13 5352 1 3.00 1.9523 12.369 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 34 16 3608 1 2.72 2.5259 9.437 ## Starting information for simulation # 17 ## Starting information for simulation # 18 34 18 9579 1 2.96 2.3519 12.431 ## Starting information for simulation # 19 34 19 791 1 2.88 2.5823 11.764 34 19 792 1 2.79 2.9997 11.355 34 19 793 1 2.72 2.6491 11.308 34 19 794 1 2.90 2.6126 11.542 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 34 24 965 1 2.95 2.2339 11.881 34 24 966 1 2.95 2.2434 11.942 34 24 969 1 2.83 2.9155 11.257 34 24 988 1 2.69 2.9344 11.389 34 24 989 1 2.86 2.6837 10.920 34 24 2414 1 2.84 2.5118 12.699 34 24 2415 1 2.80 2.2522 12.392 34 24 4314 1 2.83 2.5027 12.026 34 24 4392 1 2.83 2.6595 11.532 ## Starting information for simulation # 25 34 25 456 1 2.89 2.9340 10.333 34 25 464 1 2.93 2.8307 10.662 34 25 467 1 2.83 2.4385 10.432 34 25 468 1 2.62 2.5030 11.269 34 25 469 1 2.87 2.4694 10.852 34 25 470 1 2.86 2.5834 11.132 ## Starting information for simulation # 26 34 26 9822 1 2.72 2.6762 9.855 34 26 9823 1 2.99 2.7078 10.820 34 26 9824 1 2.80 2.8144 10.315 ## Starting information for simulation # 27 ## Starting information for simulation # 28 34 28 552 1 2.72 2.7203 11.944 34 28 554 1 2.96 2.2088 12.497 ## Starting information for simulation # 29 34 29 21 1 2.93 2.7694 12.626 34 29 173 1 2.74 3.0686 12.305 34 29 175 1 2.93 3.0751 12.097 34 29 330 1 2.73 2.8806 11.824 34 29 331 1 2.70 2.9552 11.637 34 29 332 1 2.81 2.9038 11.738 34 29 333 1 2.79 2.9288 12.028 34 29 334 1 2.77 2.6151 11.751 34 29 335 1 2.76 3.0204 11.546 34 29 336 1 2.84 2.7744 11.383 34 29 337 1 2.57 2.8923 12.100 34 29 338 1 2.73 3.0437 12.239 34 29 340 1 2.84 2.7526 11.756 34 29 443 1 2.85 2.7214 11.617 34 29 444 1 2.76 2.8807 12.456 34 29 445 1 2.97 2.7521 11.869 34 29 446 1 2.71 2.9668 12.403 34 29 493 1 2.84 2.8298 12.690 34 29 537 1 2.93 1.8313 12.223 34 29 1383 1 2.63 3.0961 11.457 34 29 1394 1 2.83 3.0568 12.423 34 29 1491 1 2.84 2.9480 12.375 34 29 1730 1 2.96 2.8581 12.777 34 29 1731 1 2.87 2.6489 13.305 34 29 1732 1 2.85 2.9120 12.912 34 29 1733 1 2.65 3.0127 12.745 34 29 1734 1 2.82 2.9683 12.870 34 29 1735 1 2.90 2.8889 12.358 34 29 1736 1 2.87 2.8771 12.730 34 29 1737 1 2.99 2.7781 12.454 34 29 1738 1 2.97 2.8501 12.978 34 29 1739 1 2.81 2.7843 12.550 34 29 1823 1 2.82 2.8847 12.960 34 29 1824 1 2.84 2.7194 13.353 34 29 1825 1 2.67 2.9439 12.912 34 29 1956 1 2.68 2.8356 12.233 34 29 1957 1 2.96 1.9120 11.890 34 29 1958 1 2.79 2.7650 12.336 34 29 1959 1 2.83 2.9362 12.336 34 29 1960 1 2.71 3.0113 12.384 34 29 1961 1 2.66 3.0113 12.736 34 29 1962 1 2.92 2.9754 12.271 34 29 1963 1 2.61 2.9493 12.113 34 29 1964 1 2.78 2.7199 12.989 34 29 1965 1 2.91 2.8641 12.878 34 29 1966 1 2.72 2.7914 11.984 34 29 1968 1 2.85 2.9915 12.298 34 29 2023 1 2.63 2.7151 12.079 34 29 2027 1 2.88 3.0134 12.267 34 29 2384 1 2.76 2.4809 12.386 34 29 2387 1 2.94 2.5109 12.567 34 29 2395 1 2.70 2.9172 12.549 34 29 2396 1 2.64 2.1541 13.066 34 29 2485 1 2.92 1.9016 12.783 34 29 2556 1 2.75 2.2890 13.270 34 29 2580 1 2.74 2.6609 12.533 34 29 2823 1 2.82 2.9554 11.562 34 29 2824 1 2.66 2.8065 11.654 34 29 2825 1 2.92 2.5887 11.442 34 29 3051 1 2.99 1.9609 12.605 34 29 3052 1 2.94 2.4674 13.118 34 29 3221 1 2.76 2.6503 13.410 34 29 3222 1 2.79 2.6466 13.221 34 29 3223 1 2.78 2.7037 12.809 34 29 3339 1 2.69 2.6730 12.289 34 29 3485 1 2.91 2.5460 11.998 34 29 3487 1 2.97 2.4574 12.399 34 29 3498 1 2.78 2.9619 12.903 34 29 6070 1 2.89 2.9142 12.961 34 29 6074 1 2.68 2.6056 13.109 34 29 6119 1 2.77 2.8947 11.791 34 29 6121 1 2.95 1.8964 12.388 34 29 6487 1 2.99 2.4434 12.462 34 29 6488 1 2.59 2.5779 12.037 34 29 7462 1 2.75 2.7650 12.185 34 29 7725 1 2.92 1.8015 12.848 34 29 7730 1 2.65 3.0145 13.704 34 29 7920 1 2.68 2.8483 12.772 34 29 7921 1 2.84 2.8473 12.915 34 29 7975 1 2.64 2.6342 12.850 34 29 7987 1 2.87 3.0388 12.363 34 29 7988 1 2.73 2.8967 12.152 34 29 7989 1 2.78 2.6890 12.125 34 29 8155 1 2.60 2.7369 12.843 34 29 8156 1 2.82 2.6613 12.675 34 29 8157 1 2.82 2.9156 12.721 34 29 8272 1 2.73 3.0441 13.022 34 29 8282 1 2.91 2.3187 12.305 34 29 8283 1 2.78 2.0939 12.504 34 29 8287 1 2.74 1.9600 12.115 34 29 8306 1 2.98 2.3162 12.274 34 29 8324 1 2.58 2.7437 13.112 34 29 8325 1 2.94 2.4633 12.851 34 29 8328 1 2.81 3.0018 11.612 34 29 8329 1 2.62 2.8797 11.494 34 29 8330 1 2.76 3.0931 11.859 34 29 8331 1 2.73 2.8911 11.330 34 29 8336 1 2.64 3.0494 11.202 34 29 8337 1 2.84 2.7805 10.890 34 29 8338 1 2.94 2.7119 11.645 34 29 8339 1 2.65 3.0151 11.253 34 29 8340 1 2.73 3.0224 11.192 34 29 8341 1 2.53 2.9230 10.793 ## Starting information for simulation # 30 34 30 54 1 2.81 2.5597 13.771 34 30 78 1 2.91 1.9059 11.786 34 30 123 1 2.83 2.8586 12.718 34 30 138 1 2.90 2.6755 13.020 34 30 139 1 2.59 2.8961 12.898 34 30 148 1 2.76 2.9478 12.271 34 30 149 1 2.76 3.0061 13.108 34 30 150 1 2.91 2.7275 12.741 34 30 151 1 2.59 3.0519 12.893 34 30 152 1 2.99 2.5395 12.749 34 30 153 1 2.83 2.7520 13.039 34 30 154 1 2.85 2.8547 12.808 34 30 155 1 2.62 2.7383 12.652 34 30 200 1 2.90 2.9670 12.920 34 30 201 1 2.93 2.7853 12.981 34 30 203 1 2.86 2.7315 13.468 34 30 204 1 2.83 2.8459 13.566 34 30 205 1 2.72 2.9143 12.949 34 30 206 1 2.68 2.8603 13.493 34 30 274 1 2.96 1.8275 12.287 34 30 286 1 2.92 2.9024 12.416 34 30 381 1 2.82 2.7460 12.984 34 30 382 1 2.93 2.4980 12.546 34 30 383 1 2.79 2.5839 12.645 34 30 384 1 2.85 2.2755 12.583 34 30 386 1 2.71 3.0088 12.836 34 30 387 1 2.59 2.5983 13.045 34 30 388 1 2.67 2.8983 12.700 34 30 389 1 2.82 2.9403 12.879 34 30 391 1 2.78 2.9957 12.545 34 30 392 1 2.90 2.6789 12.250 34 30 393 1 2.80 3.0379 12.287 34 30 394 1 2.99 2.9223 12.331 34 30 395 1 2.82 2.6090 11.989 34 30 397 1 2.79 2.7234 12.288 34 30 398 1 2.88 2.5896 12.248 34 30 399 1 2.77 2.9304 12.674 34 30 400 1 2.80 3.0692 12.922 34 30 405 1 2.94 3.0511 12.666 34 30 407 1 2.97 2.5139 12.324 34 30 417 1 2.80 2.7745 12.649 34 30 418 1 2.77 2.9186 12.488 34 30 419 1 2.85 2.9434 12.985 34 30 420 1 2.86 3.0086 13.259 34 30 421 1 2.85 3.0367 12.597 34 30 422 1 2.75 3.0228 12.623 34 30 946 1 2.77 1.9946 12.861 34 30 950 1 2.84 2.8330 12.733 34 30 1016 1 2.79 2.6662 12.430 34 30 1017 1 2.81 3.0098 12.948 34 30 1018 1 2.70 2.9161 12.731 34 30 1019 1 2.73 2.8471 12.933 34 30 1422 1 2.91 2.4374 13.127 34 30 1473 1 2.99 1.7721 12.382 34 30 1660 1 2.86 2.0821 13.147 34 30 1734 1 2.76 2.9195 12.008 34 30 1772 1 2.84 2.2741 12.887 34 30 1868 1 2.87 1.9865 11.285 34 30 2124 1 2.68 2.9919 13.218 34 30 2125 1 2.62 2.9163 12.882 34 30 2127 1 2.74 2.9770 12.753 34 30 2128 1 2.82 3.0406 12.478 34 30 2234 1 2.81 2.6204 12.794 34 30 2235 1 2.77 2.7748 12.993 34 30 2254 1 2.96 2.8110 13.005 34 30 2523 1 2.83 2.6883 12.552 34 30 2991 1 2.68 2.7449 12.605 ## Starting information for simulation # 31 34 31 3483 1 2.80 2.2662 10.556 34 31 3484 1 2.72 2.8288 11.498 34 31 3488 1 2.83 1.8125 11.522 34 31 3501 1 2.99 2.4937 11.035 34 31 3502 1 2.95 2.6518 11.459 34 31 3512 1 2.87 2.5995 11.599 34 31 3572 1 2.69 2.5447 11.604 34 31 3588 1 2.91 2.5355 11.418 34 31 3590 1 2.83 2.7854 11.998 34 31 3617 1 2.87 2.5721 11.891 34 31 3618 1 2.83 2.7398 11.991 34 31 3619 1 2.79 2.9716 12.141 34 31 3992 1 2.68 2.8558 10.537 34 31 3995 1 2.85 2.4975 11.508 34 31 4000 1 2.74 2.8717 10.985 34 31 4001 1 2.70 2.6629 10.483 34 31 4002 1 2.80 2.3422 11.083 34 31 4004 1 2.78 2.7142 10.184 34 31 4223 1 2.98 1.7927 12.103 34 31 4224 1 2.92 2.7686 12.014 34 31 4225 1 2.86 2.5095 11.681 34 31 4227 1 2.59 2.7848 11.606 34 31 5271 1 2.99 2.3322 11.407 34 31 6552 1 2.92 2.8388 12.813 34 31 6560 1 2.72 2.3357 12.951 34 31 7754 1 2.83 2.7753 12.124 34 31 7755 1 3.00 2.5191 11.937 34 31 7756 1 2.72 2.7588 12.473 34 31 7758 1 2.81 2.3161 13.168 34 31 7760 1 2.82 2.9542 13.025 34 31 7762 1 2.82 2.3055 12.518 34 31 7775 1 2.98 2.4643 13.191 34 31 7776 1 2.69 2.6587 12.669 34 31 7785 1 3.00 1.9937 12.008 34 31 7792 1 2.92 2.7779 12.116 34 31 7801 1 2.81 2.7735 11.683 34 31 7802 1 2.90 2.4816 12.581 34 31 7811 1 2.69 2.7110 11.649 34 31 7812 1 2.77 2.8777 11.883 34 31 7814 1 2.74 2.5605 11.914 34 31 7817 1 2.97 2.9378 12.189 34 31 7912 1 2.86 1.8198 13.171 34 31 7915 1 2.98 1.8448 12.603 34 31 7943 1 3.00 2.4787 12.354 34 31 7945 1 2.93 2.6558 11.653 34 31 7952 1 2.98 2.3887 12.482 34 31 7953 1 2.92 2.5617 12.407 34 31 7954 1 2.75 2.3644 12.313 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 34 35 2364 1 2.99 1.8956 13.264 ## Starting information for simulation # 36