# Bonding information for index 495 -- ACE_1@O 0MA_12@H4O 0MA_12@O4 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 495 1 8886 2 2.77 2.7532 7.701 495 1 9044 2 2.97 1.8056 8.549 ## Starting information for simulation # 2 ## Starting information for simulation # 3 495 3 3639 2 3.00 3.0065 11.085 ## 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 # 9 495 9 557 2 2.84 2.7192 12.588 495 9 3242 2 2.77 3.0424 11.272 495 9 3305 2 2.65 2.8558 11.217 ## Starting information for simulation # 10 495 10 5489 2 2.80 1.9689 11.175 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 495 13 8801 2 2.94 2.0416 10.926 ## Starting information for simulation # 14 495 14 3096 2 2.67 2.7399 12.197 495 14 3098 2 2.75 2.8931 11.556 495 14 3121 2 2.90 2.6245 13.216 495 14 3379 2 2.79 2.8031 13.511 495 14 3382 2 2.61 2.8627 13.387 495 14 3538 2 2.79 2.3191 11.835 495 14 4126 2 2.90 2.9782 9.619 495 14 5171 2 2.94 2.6749 9.168 495 14 5750 2 2.91 2.5564 6.225 495 14 5751 2 2.90 3.0829 6.406 495 14 7082 2 2.91 2.8563 7.192 495 14 7217 2 2.97 2.6272 7.527 495 14 7218 2 2.72 2.7101 7.629 495 14 7219 2 2.75 2.9025 7.576 495 14 7730 2 2.93 2.7729 6.027 495 14 7874 2 2.80 2.7757 6.277 495 14 7907 2 2.76 3.0297 6.551 495 14 8236 2 2.74 2.8988 6.453 495 14 8264 2 2.61 2.8920 6.394 495 14 8396 2 2.89 2.9130 6.419 495 14 8455 2 2.76 3.0840 6.275 495 14 8746 2 2.98 2.6129 8.765 495 14 8748 2 2.66 3.0348 8.563 495 14 9518 2 2.94 2.8207 8.616 495 14 9524 2 2.92 2.7528 9.222 495 14 9538 2 2.79 2.8600 8.741 ## Starting information for simulation # 15 495 15 2351 2 2.97 2.8494 10.543 495 15 2540 2 2.77 2.9291 10.936 495 15 3199 2 2.87 2.8745 11.157 495 15 3482 2 2.96 2.4649 10.277 495 15 3577 2 2.81 2.7855 10.238 495 15 3578 2 2.91 2.5858 10.467 495 15 3579 2 2.88 2.7520 11.288 495 15 3580 2 2.98 2.7985 11.348 495 15 3979 2 2.72 2.9213 10.148 495 15 4581 2 2.77 2.5000 11.390 495 15 4582 2 2.99 2.8686 11.408 495 15 4896 2 2.81 2.9389 11.070 495 15 4905 2 2.92 2.4424 11.252 495 15 5175 2 2.60 3.0209 12.406 495 15 5230 2 2.55 2.7743 12.546 495 15 5266 2 2.66 2.8461 12.644 495 15 5267 2 2.96 3.0480 12.321 495 15 5975 2 2.67 2.8541 12.550 495 15 8860 2 2.75 2.6828 12.369 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 495 20 548 2 2.90 2.7646 9.460 495 20 779 2 2.96 2.6734 8.609 495 20 2937 2 2.71 2.8423 12.554 495 20 2938 2 2.87 2.6763 12.256 495 20 3524 2 2.63 2.6906 11.595 495 20 3544 2 2.83 2.8823 11.000 495 20 4053 2 2.71 3.0862 12.463 495 20 4125 2 2.86 2.4350 11.919 495 20 4260 2 2.97 2.5917 11.785 495 20 4277 2 2.90 2.9437 11.023 495 20 4305 2 2.66 2.6655 11.197 495 20 4580 2 2.89 2.6600 10.418 495 20 4581 2 2.77 2.6452 10.654 495 20 4582 2 2.73 2.9863 10.541 495 20 4725 2 2.74 3.0384 9.667 495 20 4967 2 2.82 2.8227 9.296 495 20 4968 2 2.80 2.7774 9.636 495 20 4969 2 2.60 3.0300 9.660 495 20 4970 2 2.63 2.9935 9.316 495 20 4971 2 2.56 2.7641 9.136 495 20 4972 2 2.93 2.7592 8.923 495 20 5054 2 2.67 2.8309 9.561 495 20 5055 2 2.60 2.9175 9.338 495 20 5126 2 2.73 2.9330 9.351 495 20 5545 2 2.72 2.5468 9.917 495 20 5548 2 2.66 2.9700 10.212 495 20 6075 2 2.62 2.9626 9.647 495 20 6882 2 2.73 2.8405 10.642 495 20 7052 2 2.71 3.1234 6.730 495 20 7234 2 2.79 2.6783 6.944 495 20 7830 2 2.53 2.6616 6.374 495 20 7885 2 2.83 2.9211 5.899 495 20 8740 2 2.71 2.5888 10.080 495 20 8882 2 2.70 2.7458 9.368 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 495 24 9407 2 2.73 1.8694 12.262 495 24 9430 2 2.92 2.0542 11.124 495 24 9442 2 2.91 2.1972 11.849 ## Starting information for simulation # 25 495 25 2873 2 2.76 2.9168 10.822 495 25 2874 2 2.63 2.9278 10.647 495 25 2945 2 3.00 2.8092 10.825 495 25 2979 2 2.59 2.9768 9.718 495 25 2980 2 2.79 2.7311 9.445 495 25 3497 2 2.64 3.0036 9.991 495 25 3551 2 2.93 2.8682 9.589 495 25 3684 2 2.75 2.8463 10.973 495 25 6407 2 3.00 2.5850 9.800 495 25 6742 2 2.73 2.9092 11.716 495 25 6925 2 2.69 2.9627 10.147 495 25 7229 2 2.81 2.8815 11.884 495 25 7230 2 2.79 2.7807 11.408 495 25 7307 2 2.63 2.3584 11.235 495 25 7308 2 2.81 2.9797 11.197 495 25 8003 2 2.74 2.7255 12.406 495 25 8409 2 2.64 2.7883 12.496 495 25 8805 2 2.72 2.8361 12.500 ## Starting information for simulation # 26 495 26 7694 2 2.93 1.9369 10.724 495 26 7697 2 2.95 1.7844 11.258 ## Starting information for simulation # 27 495 27 2252 2 2.63 2.8108 11.710 495 27 2715 2 2.92 2.7235 11.192 495 27 3357 2 2.95 2.6574 11.223 495 27 5504 2 2.77 2.8831 12.129 495 27 5506 2 2.76 3.0332 12.400 495 27 5593 2 2.60 2.9031 12.365 495 27 5884 2 2.82 2.9731 11.253 495 27 5924 2 2.71 2.8669 10.580 495 27 6437 2 2.79 2.7544 12.002 ## Starting information for simulation # 28 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 495 31 9905 2 2.65 2.9283 11.802 495 31 9906 2 2.79 2.6594 11.624 495 31 9908 2 2.76 2.8554 12.237 ## Starting information for simulation # 32 495 32 8777 2 2.93 2.6393 12.062 495 32 8780 2 2.90 2.4766 11.676 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36 495 36 629 2 2.82 2.9550 6.890 495 36 3797 2 2.83 2.7483 9.416 495 36 3798 2 2.61 2.8729 9.534