# Bonding information for index 799 -- PRO_2@O 0MA_14@H6O 0MA_14@O6 # 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 # 9 799 9 4370 2 2.56 2.7615 12.043 799 9 4371 2 2.92 2.4674 12.138 799 9 4372 2 2.76 2.1089 11.510 799 9 4379 2 2.71 2.8848 11.870 799 9 4416 2 2.92 2.1893 11.383 799 9 4418 2 2.87 2.7867 11.831 799 9 4420 2 2.72 2.6624 11.978 799 9 4424 2 2.70 2.9491 11.500 799 9 4425 2 2.77 2.8534 11.694 799 9 4426 2 2.74 2.5437 11.993 799 9 4427 2 2.94 2.6598 12.024 799 9 4429 2 2.88 2.6244 11.246 799 9 4430 2 2.89 2.2924 11.180 799 9 4431 2 2.79 2.9351 11.519 799 9 4434 2 2.83 2.4862 11.612 799 9 4440 2 2.55 2.7360 11.003 799 9 4441 2 2.72 3.0394 10.809 799 9 4442 2 2.91 2.4147 10.922 799 9 4444 2 2.79 3.0230 11.002 799 9 4445 2 2.81 2.5177 11.129 799 9 4450 2 2.73 2.6289 11.175 799 9 4452 2 2.91 2.4570 11.569 799 9 4453 2 2.61 2.8770 11.168 799 9 4454 2 2.76 2.8556 11.580 799 9 4455 2 2.82 2.4806 11.329 799 9 4456 2 2.61 2.8048 11.643 799 9 4457 2 2.50 2.9800 11.571 799 9 4458 2 2.77 2.4441 11.990 799 9 4459 2 2.92 2.6803 11.167 799 9 4462 2 2.68 3.0664 11.583 799 9 4463 2 2.62 2.6871 11.543 799 9 4471 2 2.85 2.4208 11.810 799 9 4474 2 2.68 2.7854 11.392 799 9 4497 2 2.58 2.6851 11.232 799 9 4498 2 2.78 2.1345 11.496 799 9 4499 2 2.82 2.7178 11.425 799 9 4500 2 2.74 2.9377 11.469 799 9 4501 2 2.82 2.9416 11.317 799 9 4505 2 2.84 2.4428 11.275 799 9 4506 2 2.61 2.6479 11.473 799 9 4507 2 2.64 2.6117 11.524 799 9 4508 2 2.77 2.6897 11.925 799 9 4527 2 2.67 2.9870 11.660 799 9 4529 2 2.67 2.7623 11.069 799 9 4530 2 2.64 2.8248 12.134 799 9 4531 2 2.69 2.9931 11.405 799 9 4538 2 2.69 2.9871 10.696 799 9 4544 2 2.91 2.2852 11.538 799 9 4545 2 2.82 2.8405 11.505 799 9 4567 2 2.93 2.6945 9.983 799 9 4570 2 2.70 2.3202 10.199 799 9 4571 2 2.59 2.7275 9.811 799 9 4574 2 2.93 2.3688 10.618 799 9 4576 2 2.76 2.6408 10.662 799 9 4577 2 2.68 2.9069 10.259 799 9 4578 2 2.82 2.1002 10.127 799 9 4579 2 2.78 2.4748 10.245 799 9 4584 2 2.86 2.8245 10.342 799 9 4585 2 2.72 2.6090 10.830 799 9 4587 2 2.81 2.1997 10.481 799 9 4588 2 2.78 2.6840 10.663 799 9 4589 2 2.86 3.0884 10.502 799 9 4590 2 2.93 2.5775 10.860 799 9 4592 2 2.70 2.6791 10.273 799 9 4595 2 2.78 2.3803 10.201 799 9 4596 2 2.88 2.1663 10.630 799 9 4597 2 2.78 2.3720 10.647 799 9 4598 2 2.81 3.0160 10.376 799 9 4599 2 2.73 2.3346 10.014 799 9 4600 2 2.71 2.7983 10.967 799 9 4601 2 2.78 2.8942 10.317 799 9 4602 2 2.88 2.7446 10.042 799 9 4603 2 2.86 2.2879 9.914 799 9 4604 2 2.84 2.0004 10.652 799 9 4607 2 2.91 2.9213 10.664 799 9 4608 2 2.61 2.4317 10.393 799 9 4609 2 2.75 3.0056 10.625 799 9 4611 2 2.66 3.1034 11.040 799 9 4612 2 2.61 2.6977 10.849 799 9 4614 2 2.66 2.7970 10.476 799 9 4619 2 2.74 3.1017 11.544 799 9 4620 2 2.84 2.6700 10.564 799 9 4621 2 2.97 2.9216 10.802 799 9 4622 2 2.92 2.7086 11.022 799 9 4623 2 2.61 2.6898 10.709 799 9 4624 2 2.61 2.5861 10.597 799 9 4635 2 2.77 2.7975 10.496 799 9 4655 2 2.87 2.3249 11.196 799 9 4665 2 2.77 2.4699 10.366 799 9 4678 2 2.74 2.4921 10.026 799 9 4681 2 2.92 2.5151 10.706 799 9 4682 2 2.98 2.4015 10.491 799 9 4685 2 2.72 2.6795 10.969 799 9 4699 2 2.86 2.2419 10.373 799 9 4702 2 2.91 2.5696 10.856 799 9 4705 2 2.77 1.9618 11.080 799 9 4708 2 2.65 2.7201 11.569 799 9 4920 2 2.64 2.9827 11.183 799 9 4921 2 2.65 2.8051 10.785 799 9 4923 2 2.99 2.9512 11.099 799 9 4924 2 2.70 2.7960 11.131 799 9 4925 2 2.66 2.9048 11.745 799 9 4926 2 2.91 2.9471 11.328 799 9 4927 2 2.90 2.5705 11.361 799 9 4963 2 2.80 2.7869 10.615 799 9 4966 2 2.88 2.5173 11.226 799 9 4967 2 2.65 2.8293 10.519 799 9 4978 2 2.70 3.0663 10.780 799 9 4979 2 2.98 2.6616 9.976 799 9 4983 2 2.68 2.9664 10.712 799 9 4984 2 2.93 2.7849 10.058 799 9 4989 2 2.53 2.9395 9.867 799 9 4990 2 2.60 2.7684 10.404 799 9 4994 2 2.65 2.8161 10.137 799 9 4995 2 2.59 2.5467 10.067 799 9 4996 2 2.71 2.9466 10.275 799 9 4997 2 2.77 2.9646 9.953 799 9 5000 2 2.75 2.5992 9.996 799 9 5003 2 3.00 2.8818 10.506 799 9 5084 2 2.67 3.0876 12.698 799 9 5085 2 2.72 3.0137 12.440 799 9 5088 2 2.76 2.6359 12.346 799 9 5090 2 2.70 2.5104 12.764 799 9 5091 2 2.87 2.5705 12.162 799 9 5092 2 2.57 2.8587 12.235 799 9 5093 2 2.74 2.9153 12.303 799 9 5095 2 2.75 2.8496 12.685 799 9 5096 2 2.69 3.0495 12.548 799 9 5097 2 2.76 2.8503 12.739 799 9 5098 2 2.66 2.8645 12.291 799 9 5102 2 2.67 3.0536 11.198 799 9 5103 2 2.82 2.7655 11.371 799 9 5104 2 2.52 2.7773 11.174 799 9 5105 2 2.65 2.9918 11.564 799 9 5106 2 2.66 2.2285 11.680 799 9 5107 2 2.63 2.7770 11.643 799 9 5109 2 2.89 2.3729 11.222 799 9 5110 2 2.79 2.7837 10.359 799 9 5114 2 2.81 2.7877 11.211 799 9 5115 2 2.91 2.9983 10.831 799 9 5117 2 2.72 2.9600 11.268 799 9 5118 2 2.85 2.5825 11.239 799 9 5119 2 2.66 3.0022 10.971 799 9 5120 2 2.96 2.7658 11.114 799 9 5121 2 2.62 2.9796 11.068 799 9 5122 2 2.88 2.9796 11.403 799 9 5123 2 2.94 2.6374 11.611 799 9 5124 2 2.93 2.9448 11.585 799 9 5129 2 2.96 2.3610 11.553 799 9 5134 2 2.70 2.5847 10.877 799 9 5136 2 2.91 2.1496 10.858 799 9 5137 2 2.76 3.0723 10.492 799 9 5139 2 2.73 2.6248 10.968 799 9 5144 2 2.65 2.8388 10.882 799 9 5169 2 2.66 2.5128 10.812 799 9 5170 2 2.72 2.7222 11.356 799 9 5171 2 2.66 2.6212 11.146 799 9 5178 2 2.87 1.8997 10.669 799 9 5184 2 2.93 2.5472 10.832 799 9 5185 2 2.96 2.6948 11.103 799 9 5186 2 2.79 2.9495 11.150 799 9 5189 2 2.57 2.6044 11.978 799 9 5191 2 2.81 3.0320 12.203 799 9 5192 2 2.82 2.8793 12.407 799 9 5193 2 2.73 2.9704 12.388 799 9 5197 2 2.76 2.8381 11.869 799 9 5198 2 2.72 2.9455 11.898 799 9 5199 2 2.86 2.6551 11.816 799 9 5252 2 2.75 2.6114 10.639 799 9 5271 2 2.56 2.7347 11.393 799 9 5272 2 2.82 2.0813 11.247 799 9 5274 2 2.88 2.7860 11.195 799 9 5275 2 2.89 2.1922 10.908 799 9 5276 2 2.57 2.9557 10.436 799 9 5277 2 2.75 2.4181 10.355 799 9 5280 2 2.60 2.9848 10.641 799 9 5283 2 2.82 2.5266 11.014 799 9 5284 2 2.51 2.6845 10.560 799 9 5287 2 2.73 2.6966 11.309 799 9 5288 2 2.78 1.9667 11.391 799 9 5289 2 2.88 2.3440 11.196 799 9 5290 2 2.68 2.7503 11.713 799 9 5291 2 2.95 2.1790 12.021 799 9 5293 2 2.69 2.7681 11.115 799 9 5512 2 2.91 2.6621 11.228 799 9 5513 2 2.58 2.8654 10.774 799 9 5514 2 2.73 2.7766 11.299 799 9 5515 2 2.62 2.6257 11.422 799 9 5516 2 2.69 3.0297 11.596 799 9 5518 2 2.54 2.5724 11.556 799 9 5520 2 2.82 3.0452 11.427 799 9 5522 2 2.95 2.2608 11.341 799 9 5540 2 2.77 2.5413 11.555 799 9 5554 2 2.83 2.5899 11.702 799 9 5601 2 2.95 2.9291 12.239 799 9 5602 2 2.91 2.4760 11.984 799 9 5603 2 2.76 2.4044 11.740 799 9 5651 2 2.98 2.5320 10.902 799 9 5656 2 2.85 2.1662 11.234 799 9 5657 2 2.70 2.6385 11.071 799 9 5679 2 2.95 2.7175 11.978 799 9 5686 2 2.83 2.9960 10.992 799 9 5716 2 3.00 2.6809 12.284 799 9 5760 2 2.74 2.4163 12.064 799 9 5761 2 2.67 2.8146 12.087 799 9 5762 2 2.63 3.0209 12.279 799 9 5778 2 2.81 2.6782 12.619 799 9 5780 2 2.65 2.6468 12.277 799 9 5781 2 2.72 2.8754 12.258 ## Starting information for simulation # 10 799 10 2290 2 2.78 2.9422 10.358 799 10 2432 2 2.86 2.7634 9.467 799 10 2433 2 2.75 2.9711 9.398 799 10 2434 2 2.99 2.4604 9.971 799 10 2435 2 2.80 2.7798 10.074 799 10 2436 2 2.86 2.6369 9.369 799 10 2437 2 2.60 2.8679 9.679 799 10 2438 2 2.79 2.9810 9.890 799 10 2441 2 2.91 2.0150 9.723 799 10 2442 2 2.67 2.8373 9.944 799 10 2446 2 2.53 2.3686 9.342 799 10 2447 2 2.89 2.9880 9.569 799 10 2448 2 2.88 2.9276 9.201 799 10 2449 2 2.74 2.8176 9.566 799 10 2450 2 2.96 2.8498 9.842 799 10 2451 2 2.97 2.7614 9.226 799 10 2452 2 2.94 2.9517 9.077 799 10 2453 2 2.66 3.0598 9.110 799 10 2454 2 2.77 2.8317 9.644 799 10 2456 2 2.63 2.6723 9.432 799 10 2457 2 2.61 3.0217 9.623 799 10 2458 2 2.75 2.8943 10.311 799 10 2459 2 2.93 2.6716 9.821 799 10 2461 2 2.75 2.9248 9.474 799 10 2462 2 2.78 2.3463 9.556 799 10 2463 2 2.64 2.8817 10.017 799 10 2464 2 2.63 2.8291 9.368 799 10 2465 2 2.75 2.4047 9.850 799 10 2466 2 2.95 2.9888 10.488 799 10 2467 2 2.97 2.4352 9.965 799 10 2468 2 2.70 2.7595 10.153 799 10 2469 2 2.63 2.9566 9.462 799 10 2470 2 2.61 2.6388 9.987 799 10 2471 2 2.53 2.9825 9.619 799 10 2472 2 2.84 2.8569 9.945 799 10 2473 2 2.71 2.7085 10.003 799 10 2474 2 2.89 2.9460 10.447 799 10 2487 2 2.65 2.9000 11.361 799 10 2488 2 2.62 2.9365 11.596 799 10 2489 2 2.82 1.9853 11.424 799 10 2490 2 2.80 2.3138 11.861 799 10 2491 2 2.78 2.6765 11.673 799 10 2492 2 2.72 2.8376 11.487 799 10 2493 2 2.70 2.9286 11.091 799 10 2494 2 2.81 2.8001 11.180 799 10 2495 2 2.70 2.4280 12.093 799 10 2496 2 2.71 2.7823 11.722 799 10 2497 2 2.88 2.5142 11.407 799 10 2498 2 2.72 2.8046 11.592 799 10 2499 2 2.64 2.8592 11.434 799 10 2500 2 2.60 2.7621 11.249 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 799 14 6409 2 2.76 2.7749 8.753 ## 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 # 20 799 20 3728 2 2.77 2.7835 12.918 799 20 3729 2 2.98 2.7031 13.047 799 20 3730 2 2.70 2.5661 12.702 799 20 3731 2 2.76 2.8768 12.812 ## Starting information for simulation # 21 ## 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 # 30 799 30 8248 2 2.74 2.5634 10.890 ## 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