# Bonding information for index 14 -- 0VA_12@O2N 0VA_15@H6O 0VA_15@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 14 1 2895 1 2.67 3.1187 10.374 14 1 2896 1 2.89 2.9774 10.319 14 1 2924 1 2.63 2.8578 10.479 14 1 2925 1 2.68 2.9145 10.842 14 1 2926 1 2.88 2.7568 10.819 14 1 2928 1 2.74 2.8342 10.549 14 1 2929 1 2.69 2.8410 10.262 14 1 2930 1 2.95 2.0252 10.197 14 1 2931 1 3.00 2.3087 10.882 14 1 2932 1 2.66 2.7718 10.820 14 1 2938 1 2.70 3.0143 10.147 14 1 2939 1 2.53 2.9012 10.560 14 1 2941 1 2.78 2.9472 10.345 14 1 2942 1 2.94 2.9159 10.691 14 1 2943 1 2.88 2.3772 10.965 14 1 2944 1 2.88 2.9561 10.929 14 1 2945 1 2.89 3.0782 10.641 14 1 2946 1 2.82 2.8320 10.635 14 1 2947 1 2.85 2.6450 10.782 14 1 2948 1 2.75 2.7207 10.813 14 1 2949 1 2.91 3.0617 10.796 14 1 2950 1 2.75 2.8057 10.208 14 1 2979 1 2.75 2.7100 10.201 14 1 2980 1 2.75 3.0479 10.056 14 1 3769 1 2.52 2.6832 12.137 14 1 3770 1 2.95 2.4759 11.261 ## Starting information for simulation # 2 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 14 5 6035 1 2.78 2.6380 11.570 14 5 6036 1 2.61 2.7801 11.309 14 5 6037 1 2.80 2.8063 11.499 14 5 6038 1 2.59 2.9313 11.365 14 5 6039 1 2.75 2.8641 11.475 14 5 6040 1 2.65 2.9370 11.399 14 5 6041 1 2.69 2.9287 11.336 14 5 6042 1 2.71 2.9433 11.370 14 5 6043 1 2.66 2.8915 11.549 14 5 6044 1 2.55 2.6213 11.497 14 5 6045 1 2.94 2.3516 11.752 14 5 6046 1 2.96 2.8243 11.243 14 5 6047 1 2.62 2.9631 10.839 14 5 6048 1 2.72 2.7305 10.766 14 5 6384 1 2.62 3.0934 10.234 14 5 6385 1 2.61 2.8801 10.782 14 5 6386 1 2.82 3.0247 10.650 14 5 6395 1 2.73 2.8006 9.797 14 5 6396 1 2.98 2.6080 9.880 14 5 6419 1 2.92 2.5579 10.361 14 5 6420 1 2.71 2.7892 10.372 14 5 6421 1 2.81 2.4584 10.450 14 5 6422 1 2.74 2.9795 10.198 14 5 6423 1 2.64 2.9659 10.162 14 5 6424 1 2.78 2.8812 10.331 14 5 6425 1 2.93 2.5631 10.352 14 5 6426 1 2.72 2.6981 10.335 14 5 6427 1 2.83 2.6979 10.366 14 5 6428 1 2.76 2.9853 10.708 14 5 6429 1 2.66 2.9581 10.673 14 5 6430 1 2.80 3.0796 10.402 14 5 6431 1 2.74 2.5840 10.770 14 5 6432 1 2.88 2.9713 10.863 14 5 6434 1 2.70 2.6896 10.434 14 5 6435 1 2.67 2.6404 10.453 14 5 6436 1 2.64 2.9635 10.243 14 5 6437 1 2.72 3.0581 10.625 14 5 6438 1 2.95 2.3906 10.600 14 5 6439 1 2.80 3.0217 10.225 14 5 6440 1 2.87 2.4004 10.417 14 5 6441 1 2.71 2.8516 10.995 14 5 6442 1 2.84 2.6322 10.468 14 5 6444 1 2.63 2.7628 10.682 14 5 6445 1 2.66 2.8915 10.769 14 5 6446 1 2.74 2.6109 10.817 14 5 6447 1 2.60 2.3323 10.777 14 5 6448 1 2.97 2.5835 10.213 14 5 6449 1 2.64 2.8221 10.635 14 5 6450 1 2.54 2.9082 10.339 14 5 6451 1 2.54 2.8723 10.474 14 5 6452 1 2.69 2.9724 10.268 14 5 6454 1 2.78 2.9059 10.568 14 5 6455 1 2.83 3.0456 10.630 14 5 6456 1 2.67 2.6542 10.177 14 5 6457 1 2.75 2.8839 10.461 14 5 6458 1 2.60 3.0092 10.504 14 5 6459 1 2.82 2.6351 10.343 14 5 6460 1 2.66 3.0008 10.797 14 5 7254 1 2.89 2.6754 10.656 14 5 7255 1 2.77 3.0817 10.838 14 5 7256 1 2.63 2.9188 10.481 14 5 7257 1 2.72 2.9460 10.609 14 5 7258 1 2.67 2.7812 10.704 14 5 7261 1 2.77 2.9694 10.545 14 5 7262 1 2.76 2.6398 10.555 14 5 7263 1 2.65 3.0388 10.490 14 5 7316 1 2.91 2.9446 11.609 14 5 7321 1 2.62 2.9748 11.012 14 5 7322 1 2.65 2.9854 11.179 14 5 7323 1 2.78 2.6270 11.837 14 5 7429 1 2.87 2.8989 10.550 14 5 7430 1 2.78 2.7856 10.285 14 5 7431 1 2.70 2.9679 10.291 14 5 7432 1 2.72 2.9876 10.663 14 5 7433 1 2.72 2.8375 9.871 ## Starting information for simulation # 6 ## Starting information for simulation # 7 14 7 3428 1 2.68 2.6560 11.793 14 7 3430 1 2.84 2.5609 11.581 14 7 3431 1 2.84 2.1690 11.624 14 7 3443 1 2.59 2.8746 11.057 14 7 3452 1 2.79 3.1096 11.452 14 7 3453 1 2.76 2.7750 11.039 14 7 3454 1 2.85 2.8780 11.520 14 7 3455 1 2.97 2.4097 11.303 14 7 3481 1 2.70 2.3608 11.359 14 7 3482 1 2.73 2.6122 11.841 14 7 3483 1 2.77 2.6527 12.145 14 7 3484 1 2.70 2.4395 11.363 14 7 3486 1 2.68 2.7205 11.274 14 7 3487 1 2.77 2.8733 11.126 14 7 3488 1 2.86 3.0111 11.545 14 7 3489 1 2.94 2.9065 11.307 14 7 3502 1 2.59 2.6221 12.170 14 7 3503 1 2.84 3.0683 11.314 14 7 3504 1 2.73 2.5629 11.210 14 7 3505 1 2.88 2.5683 11.620 14 7 3528 1 2.89 2.7369 11.251 14 7 3529 1 2.56 2.9921 11.664 14 7 3530 1 2.62 2.6148 11.510 14 7 3548 1 2.90 2.7872 11.286 14 7 3566 1 2.89 2.6261 11.630 14 7 3567 1 2.76 2.7250 10.944 14 7 3571 1 2.66 3.0094 11.438 14 7 3572 1 2.58 2.9386 10.647 14 7 3573 1 2.87 2.5328 11.486 14 7 3575 1 2.78 3.1007 11.367 14 7 3616 1 2.92 2.6090 11.571 14 7 3629 1 2.77 2.7246 11.446 14 7 3630 1 2.89 2.3279 11.971 14 7 3635 1 2.83 2.9629 11.729 14 7 3636 1 2.77 2.3027 11.523 14 7 3637 1 2.73 2.8092 11.530 14 7 3638 1 2.79 2.6433 11.965 14 7 3639 1 2.72 2.7072 11.662 14 7 3645 1 2.92 2.6912 11.141 14 7 3659 1 2.74 2.7357 11.784 14 7 3664 1 2.99 2.7474 11.822 14 7 3665 1 2.85 3.0442 12.668 14 7 3692 1 2.86 2.8935 11.322 14 7 3697 1 2.78 2.4185 11.166 14 7 3702 1 2.60 2.7805 11.132 14 7 3703 1 2.79 2.9401 12.059 14 7 3705 1 2.68 3.0389 11.510 14 7 3707 1 2.69 2.7858 11.789 14 7 3710 1 2.93 1.8800 11.064 14 7 3721 1 2.67 3.0185 11.526 14 7 3757 1 2.78 2.8622 11.475 14 7 3759 1 2.58 2.8285 11.460 14 7 3763 1 2.88 2.7398 11.200 14 7 3765 1 2.92 2.7757 10.947 14 7 3781 1 2.64 2.8210 11.730 14 7 3782 1 2.69 2.7375 11.435 14 7 3822 1 2.80 2.5561 11.560 14 7 3825 1 2.51 2.7001 11.765 14 7 3827 1 2.84 2.6535 11.115 14 7 3829 1 2.70 2.6130 10.955 14 7 3830 1 2.68 2.8299 11.451 14 7 3890 1 2.66 2.5762 11.780 14 7 3895 1 2.73 2.9883 11.766 14 7 3896 1 2.75 3.0491 11.839 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## 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 14 16 8207 1 2.71 2.8455 11.218 14 16 8213 1 2.82 2.8470 10.614 14 16 8215 1 2.70 2.8832 11.006 14 16 8314 1 2.77 3.0027 10.806 14 16 8324 1 2.65 3.0527 10.881 14 16 8360 1 2.70 2.8388 10.861 14 16 8435 1 2.70 2.9269 11.551 14 16 8436 1 2.61 2.8512 12.192 14 16 8437 1 2.73 2.7168 10.909 14 16 8438 1 2.84 2.8533 11.672 ## Starting information for simulation # 17 14 17 8017 1 2.78 2.8823 10.884 14 17 8019 1 2.81 2.9440 11.464 ## 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 ## Starting information for simulation # 24 ## Starting information for simulation # 25 14 25 9051 1 2.98 2.6742 11.751 14 25 9058 1 2.98 2.5017 11.820 14 25 9059 1 2.91 2.3764 12.418 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 14 28 2652 1 2.67 2.7818 11.243 14 28 2660 1 2.97 2.7541 11.926 14 28 2667 1 2.97 2.5595 10.993 14 28 2805 1 2.62 2.2604 12.403 14 28 2806 1 2.84 2.9741 11.272 14 28 2807 1 2.82 2.9326 12.060 14 28 2808 1 2.66 3.0237 11.843 14 28 2809 1 2.79 2.9168 11.589 14 28 2810 1 2.72 2.7939 12.755 14 28 2817 1 2.78 2.9679 11.869 14 28 2818 1 2.85 2.5211 11.965 14 28 2819 1 2.71 3.0495 11.305 14 28 2820 1 2.65 2.6889 11.267 14 28 2824 1 2.75 2.6239 10.424 14 28 2825 1 2.65 2.7585 10.988 14 28 2826 1 2.71 2.7096 11.077 14 28 2833 1 2.71 2.6205 11.065 14 28 2834 1 2.54 2.7143 11.799 14 28 5684 1 2.51 3.0737 12.082 14 28 5685 1 2.69 2.9265 11.988 14 28 5686 1 2.72 2.7425 11.563 14 28 5687 1 2.58 2.6832 11.859 14 28 5688 1 2.69 2.9371 11.682 14 28 5953 1 2.62 2.7287 11.761 14 28 5962 1 2.62 2.7090 12.083 14 28 5963 1 2.72 2.4468 12.059 14 28 5964 1 2.65 2.9320 11.856 14 28 5966 1 2.71 2.8949 12.567 14 28 5967 1 2.68 2.6394 11.798 14 28 5968 1 2.75 2.6223 11.929 14 28 5969 1 2.94 2.8525 12.004 14 28 5970 1 2.77 2.8248 11.814 14 28 5971 1 2.85 2.4700 12.290 14 28 5975 1 2.88 2.7397 11.417 14 28 5976 1 2.97 2.8907 11.548 14 28 5981 1 2.89 2.8803 11.864 14 28 5988 1 2.84 2.9923 11.539 14 28 5989 1 2.66 2.9201 12.126 14 28 5990 1 2.93 2.8759 12.149 14 28 5991 1 2.76 2.8684 12.353 14 28 5992 1 2.78 2.9471 12.628 ## Starting information for simulation # 29 ## Starting information for simulation # 30 14 30 2395 1 2.93 2.6799 12.430 14 30 2396 1 2.98 2.7817 12.415 14 30 2399 1 2.80 2.9385 11.994 14 30 2400 1 2.96 2.7075 12.035 14 30 2401 1 2.86 2.9403 12.473 ## Starting information for simulation # 31 14 31 6073 1 2.88 2.9334 11.774 ## Starting information for simulation # 32 14 32 7784 1 2.59 2.8087 11.600 14 32 7786 1 2.93 1.9090 11.664 14 32 7788 1 2.81 2.4757 11.812 14 32 7789 1 2.69 2.6603 11.808