# Bonding information for index 298 -- 0VA_15@O6 0VA_12@H3O 0VA_12@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 # 5 298 5 6067 1 2.87 3.0623 10.371 ## Starting information for simulation # 6 ## Starting information for simulation # 7 298 7 1219 1 2.84 2.7893 11.418 298 7 3368 1 2.90 2.8381 11.194 298 7 3400 1 2.78 2.7790 11.382 298 7 3401 1 2.98 2.7440 11.705 298 7 3402 1 2.88 2.8490 11.621 298 7 3403 1 2.75 2.6141 11.596 298 7 3404 1 2.80 2.8236 11.844 298 7 3405 1 2.63 2.6503 11.753 298 7 3415 1 2.98 2.9965 11.534 298 7 3418 1 2.80 2.8257 11.559 298 7 3419 1 2.94 2.8444 11.426 298 7 3421 1 2.79 2.8957 11.085 298 7 3423 1 2.95 3.0065 12.187 298 7 3427 1 2.64 2.9556 11.244 298 7 3428 1 2.65 2.8887 11.793 298 7 3429 1 2.78 2.6774 12.026 298 7 3430 1 2.75 2.8516 11.581 298 7 3431 1 2.82 2.6154 11.624 298 7 3432 1 2.96 2.7901 11.638 298 7 3443 1 2.80 2.6568 11.057 298 7 3452 1 2.93 2.4198 11.452 298 7 3453 1 2.64 2.9485 11.039 298 7 3455 1 2.76 3.0175 11.303 298 7 3481 1 2.86 2.8602 11.359 298 7 3484 1 2.97 3.0311 11.363 298 7 3502 1 2.90 2.7593 12.170 298 7 3503 1 2.97 2.4379 11.314 298 7 3504 1 2.59 2.9075 11.210 298 7 3505 1 2.76 2.6767 11.620 298 7 3506 1 2.68 2.9343 11.547 298 7 3507 1 2.92 2.4815 11.285 298 7 3527 1 2.77 2.6591 11.287 298 7 3528 1 2.69 2.7107 11.251 298 7 3529 1 2.67 3.0238 11.664 298 7 3568 1 2.91 2.7911 10.714 298 7 3569 1 2.86 3.0397 11.361 298 7 3570 1 2.84 3.1016 11.064 298 7 3571 1 2.93 2.5918 11.438 298 7 3572 1 2.58 2.6794 10.647 298 7 3573 1 2.68 2.7651 11.486 298 7 3575 1 2.81 2.8720 11.367 298 7 3576 1 2.78 3.0251 11.057 298 7 3577 1 2.72 2.9526 11.045 298 7 3620 1 2.89 2.9909 11.670 298 7 3621 1 2.79 2.8539 11.704 298 7 3624 1 2.86 2.9740 11.318 298 7 3625 1 2.83 2.1705 11.311 298 7 3626 1 2.93 2.8980 11.751 298 7 3627 1 2.79 2.7733 11.416 298 7 3628 1 2.75 2.9128 11.601 298 7 3629 1 2.86 2.5220 11.446 298 7 3639 1 2.89 2.5936 11.662 298 7 3640 1 2.70 3.0356 11.647 298 7 3644 1 2.64 2.7178 11.920 298 7 3645 1 2.77 2.8216 11.141 298 7 3647 1 2.62 2.7538 11.288 298 7 3693 1 2.64 2.8775 11.422 298 7 3695 1 2.90 3.0642 11.607 298 7 3696 1 2.97 2.9010 11.360 298 7 3697 1 2.74 2.5231 11.166 298 7 3699 1 2.76 2.6049 11.258 298 7 3700 1 2.76 2.8367 11.693 298 7 3701 1 2.80 3.0373 11.023 298 7 3702 1 2.83 2.5981 11.132 298 7 3708 1 2.75 2.6470 11.199 298 7 3709 1 2.94 2.9838 11.127 298 7 3727 1 2.85 2.6988 11.412 298 7 3749 1 2.92 2.7416 11.095 298 7 3756 1 2.82 2.8086 11.387 298 7 3757 1 2.75 2.5550 11.475 298 7 3759 1 2.92 2.5051 11.460 298 7 3760 1 2.91 2.7404 10.847 298 7 3762 1 2.95 3.0559 11.701 298 7 3763 1 2.76 2.7611 11.200 298 7 3819 1 2.73 2.9545 10.982 298 7 3821 1 2.83 2.0114 11.964 298 7 3825 1 2.59 2.7498 11.765 298 7 3830 1 2.77 2.3028 11.451 298 7 3832 1 2.67 2.7715 11.819 298 7 3890 1 2.90 2.5637 11.780 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 298 10 4608 1 2.91 2.9655 11.492 298 10 5272 1 2.85 2.8093 11.766 ## 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 ## Starting information for simulation # 16 298 16 5023 1 2.64 2.6488 11.940 298 16 7194 1 2.85 2.6382 11.488 298 16 7199 1 2.86 2.4925 11.641 298 16 7263 1 2.98 2.1795 11.320 298 16 7265 1 2.76 2.1754 11.795 298 16 7266 1 2.59 2.8985 12.402 298 16 8207 1 2.76 2.9946 11.218 298 16 8208 1 2.98 1.7472 11.269 298 16 8326 1 2.81 2.8780 10.551 298 16 8328 1 2.86 3.0432 11.189 298 16 8329 1 2.96 2.9924 11.022 298 16 8330 1 2.82 2.9533 10.698 298 16 8332 1 2.92 2.3214 11.142 298 16 8437 1 2.96 2.1668 10.909 298 16 9054 1 2.83 2.9403 10.758 298 16 9055 1 2.61 2.6362 11.520 ## 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 ## Starting information for simulation # 22 ## Starting information for simulation # 23 298 23 4559 1 2.87 2.7358 11.631 298 23 4804 1 2.84 2.6676 12.060 ## Starting information for simulation # 24 298 24 651 1 2.91 2.5139 11.835 ## Starting information for simulation # 25 298 25 5660 1 2.72 2.8068 11.688 298 25 9041 1 2.93 1.7882 11.953 298 25 9055 1 2.88 2.4399 11.650 298 25 9056 1 2.96 2.6635 11.981 298 25 9057 1 2.83 2.9447 11.994 298 25 9061 1 2.82 2.8977 12.124 298 25 9062 1 2.67 2.9950 11.883 298 25 9064 1 2.82 2.7200 11.970 298 25 9066 1 2.93 2.1944 12.139 298 25 9067 1 2.74 2.8856 12.044 ## Starting information for simulation # 26 ## Starting information for simulation # 27 298 27 5564 1 2.94 2.0292 12.162 298 27 5612 1 3.00 2.6268 11.605 ## Starting information for simulation # 28 298 28 2652 1 2.91 2.5515 11.243 298 28 2787 1 2.72 2.5905 11.578 298 28 2802 1 2.99 2.1365 11.554 298 28 2803 1 2.72 2.4524 11.941 298 28 2804 1 2.93 2.9015 11.795 298 28 2808 1 2.72 2.8375 11.843 298 28 2810 1 2.99 2.6111 12.755 298 28 2817 1 2.94 1.8571 11.869 298 28 2819 1 2.79 2.4378 11.305 298 28 2820 1 2.81 2.1654 11.267 298 28 2821 1 2.80 2.8915 11.547 298 28 2822 1 2.72 3.0130 11.363 298 28 2824 1 2.83 2.8398 10.424 298 28 2825 1 2.80 2.8557 10.988 298 28 2826 1 2.79 2.8425 11.077 298 28 2827 1 2.84 2.8404 11.294 298 28 2829 1 2.67 2.4205 11.630 298 28 2831 1 2.78 2.9702 11.349 298 28 2851 1 2.94 2.4101 11.749 298 28 5684 1 2.78 2.6060 12.082 298 28 5685 1 2.76 2.6855 11.988 298 28 5687 1 2.94 2.6263 11.859 298 28 5939 1 2.92 2.5173 11.857 298 28 5940 1 2.98 2.9058 11.655 298 28 5941 1 2.72 3.0062 10.825 298 28 5942 1 2.86 2.7663 11.254 298 28 6001 1 2.92 1.8674 11.477 298 28 8704 1 2.79 2.5199 11.521 298 28 8730 1 2.69 2.6563 11.474 298 28 8734 1 2.57 2.6445 11.506 298 28 8735 1 2.82 2.7225 11.436 298 28 8736 1 2.90 3.0052 11.968 ## Starting information for simulation # 29 ## Starting information for simulation # 30 298 30 2393 1 2.94 2.4592 11.920 298 30 2395 1 2.68 2.9759 12.430 298 30 2398 1 2.78 2.9138 11.895 298 30 2400 1 2.74 2.7743 12.035 298 30 2403 1 2.96 2.8352 12.335 298 30 3039 1 2.98 2.5063 11.627 ## Starting information for simulation # 31 298 31 576 1 2.73 2.5662 12.448 298 31 6073 1 2.79 3.0747 11.774 ## Starting information for simulation # 32 298 32 4588 1 2.84 2.2188 11.551 298 32 7776 1 2.92 2.8677 10.892 298 32 7783 1 2.92 3.0102 11.759 298 32 7787 1 2.68 3.1089 11.685 298 32 7788 1 2.83 2.3189 11.812 298 32 7789 1 2.92 2.7784 11.808