# Bonding information for index 12 -- 0VA_12@O2N 0VA_15@H3O 0VA_15@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 12 1 2158 1 2.82 2.9056 11.236 12 1 2159 1 2.63 2.8188 10.036 12 1 2160 1 2.69 2.7125 11.531 12 1 2161 1 2.73 3.0144 10.792 12 1 2164 1 2.64 2.9072 11.446 12 1 2165 1 2.69 2.8738 10.533 12 1 2169 1 2.79 2.5886 10.355 12 1 2170 1 2.56 2.9155 11.130 12 1 2171 1 2.65 3.0075 10.811 12 1 2172 1 2.76 2.9271 10.743 12 1 2173 1 2.72 2.9572 10.868 12 1 2174 1 2.72 3.0893 10.610 12 1 2175 1 2.76 3.0044 10.562 12 1 2176 1 2.74 2.7093 11.204 12 1 2177 1 2.76 3.0936 10.641 12 1 2178 1 2.92 3.0105 10.531 12 1 2179 1 2.73 2.9348 9.557 12 1 2180 1 2.73 3.0967 10.379 12 1 2181 1 2.72 2.8800 10.455 12 1 2182 1 2.70 2.8223 9.894 12 1 2183 1 2.71 2.6801 10.091 12 1 2184 1 2.80 2.7744 10.828 12 1 2185 1 2.64 3.0091 10.240 12 1 2186 1 2.54 2.9440 10.833 12 1 2189 1 2.78 2.9831 11.217 12 1 2190 1 2.69 2.9971 10.775 12 1 2191 1 2.70 2.9145 10.362 12 1 2192 1 2.76 2.7529 10.243 12 1 2193 1 2.60 2.8818 10.396 12 1 2194 1 2.64 2.7241 10.991 12 1 2195 1 2.82 2.9319 10.663 12 1 2196 1 2.78 2.8973 10.853 12 1 2197 1 2.63 2.8068 10.243 12 1 2198 1 2.65 2.8666 10.346 12 1 2230 1 2.84 2.6641 11.207 12 1 2232 1 2.68 2.6994 11.223 12 1 3071 1 2.65 2.7451 10.610 12 1 3091 1 2.79 2.8320 11.525 12 1 3092 1 2.79 2.9912 11.428 12 1 3109 1 2.63 2.8442 10.563 12 1 3112 1 2.57 3.1285 11.293 12 1 3137 1 2.72 2.7583 10.356 12 1 3138 1 2.74 3.0710 11.206 12 1 3139 1 2.55 2.7064 10.633 12 1 3140 1 2.69 2.9588 10.589 12 1 3141 1 2.60 2.7834 10.710 12 1 3142 1 2.47 2.8086 10.866 12 1 3143 1 2.80 2.9800 10.217 12 1 3144 1 2.56 2.9939 9.615 12 1 3149 1 2.68 2.8656 9.758 12 1 3150 1 2.67 2.8154 10.010 12 1 3151 1 2.63 2.9530 9.828 12 1 3152 1 2.65 2.8784 9.784 12 1 3153 1 2.71 2.9637 10.315 12 1 3154 1 2.55 2.7192 10.064 12 1 3155 1 2.94 2.8100 10.114 12 1 3156 1 2.95 2.8434 9.922 12 1 3157 1 2.59 3.0810 9.889 12 1 3158 1 2.83 2.7601 10.136 12 1 3159 1 2.70 2.9167 9.976 12 1 3199 1 2.76 2.4840 9.437 12 1 3200 1 2.72 2.8871 9.782 12 1 3201 1 2.72 2.8408 9.224 12 1 3202 1 2.75 2.9073 8.966 12 1 3287 1 2.79 3.0018 10.557 12 1 3288 1 2.73 2.6332 10.496 12 1 3302 1 2.72 2.7266 11.043 12 1 3321 1 2.65 2.7226 10.774 12 1 3322 1 2.51 2.7873 10.392 12 1 3323 1 2.70 3.0332 11.022 12 1 3324 1 2.86 3.0070 11.227 12 1 3325 1 2.65 3.0694 10.738 12 1 3326 1 2.54 3.0899 11.104 12 1 3327 1 2.72 2.9463 10.957 12 1 3328 1 2.66 2.7492 10.800 12 1 3329 1 2.62 3.0057 11.501 12 1 3330 1 2.65 2.5898 10.944 12 1 3333 1 2.74 2.7933 10.874 12 1 3334 1 2.69 3.0221 10.759 12 1 3335 1 2.65 2.9575 10.939 12 1 3336 1 2.59 2.7062 10.374 12 1 3337 1 2.81 2.8452 11.021 12 1 3338 1 2.91 2.8438 10.676 12 1 3339 1 2.61 2.8233 10.781 12 1 3340 1 2.80 2.5610 10.560 12 1 3341 1 2.62 2.6280 11.402 12 1 3342 1 2.91 2.5796 10.782 12 1 3343 1 2.65 2.6988 10.766 12 1 3345 1 2.67 2.6461 10.107 12 1 3365 1 2.61 2.7017 10.738 12 1 3366 1 2.86 2.9315 10.978 12 1 3367 1 2.58 2.5579 11.402 12 1 3368 1 2.71 2.9364 11.051 12 1 3369 1 2.91 2.8931 10.711 12 1 3370 1 2.72 3.0099 11.087 12 1 3371 1 2.79 2.8777 11.087 12 1 3372 1 2.66 2.7314 10.954 12 1 3373 1 2.69 2.5136 11.507 12 1 3374 1 2.76 2.8858 11.177 12 1 3375 1 2.65 2.7362 11.053 12 1 3376 1 2.51 2.6737 10.883 12 1 3387 1 2.69 2.8432 10.814 12 1 3388 1 2.85 3.0626 10.565 12 1 3410 1 2.62 2.7140 10.795 12 1 3411 1 2.75 2.2931 10.705 12 1 3413 1 2.77 2.7062 11.055 12 1 3418 1 2.68 2.6439 10.894 12 1 3431 1 2.81 2.6707 10.160 12 1 3433 1 2.79 2.8116 10.224 12 1 3434 1 2.75 2.7615 9.914 12 1 3435 1 2.87 3.0418 9.980 12 1 3436 1 2.88 2.4512 9.957 12 1 3439 1 2.85 2.7329 9.930 12 1 3444 1 2.67 2.8945 9.795 12 1 3445 1 2.96 3.0483 9.653 12 1 3447 1 2.74 2.7771 9.850 12 1 3448 1 2.81 2.7852 10.316 12 1 3449 1 2.71 2.6256 10.044 12 1 3450 1 2.71 2.8182 10.032 12 1 3451 1 2.73 2.7989 10.155 12 1 3453 1 2.80 2.7265 9.889 12 1 3454 1 2.62 2.7614 9.915 12 1 3455 1 2.70 2.5388 10.219 12 1 3456 1 2.72 2.8639 9.806 12 1 3457 1 2.91 2.9128 9.720 12 1 3458 1 2.76 2.9372 9.952 12 1 3459 1 2.76 3.0185 10.237 12 1 3463 1 2.64 2.5909 10.124 12 1 3465 1 2.81 2.4254 10.163 12 1 3466 1 2.67 2.5755 10.046 12 1 3467 1 2.74 2.8091 10.205 12 1 3468 1 2.57 2.7102 9.761 12 1 3469 1 2.89 2.9538 10.112 12 1 3470 1 2.52 2.6416 10.253 12 1 3471 1 2.82 3.0062 9.876 12 1 3472 1 2.73 2.8606 9.574 12 1 3473 1 2.89 3.0152 9.810 12 1 3474 1 2.77 2.6458 9.580 12 1 3475 1 2.65 3.0491 10.215 12 1 3476 1 2.88 2.5703 9.404 12 1 3480 1 2.92 3.0531 9.463 12 1 3486 1 2.84 2.9339 9.751 12 1 3487 1 2.59 2.9379 10.176 12 1 3491 1 2.81 2.6498 10.035 12 1 3493 1 2.69 2.8371 10.082 12 1 3494 1 2.85 2.1993 9.369 12 1 3495 1 2.87 2.5565 10.026 12 1 3496 1 2.80 2.3427 10.143 12 1 3497 1 2.56 2.9954 9.749 12 1 3499 1 2.64 3.0053 9.778 12 1 3500 1 2.76 2.7640 10.010 12 1 3501 1 2.76 2.9350 9.722 12 1 3517 1 2.87 2.5795 9.382 12 1 3518 1 2.86 2.6957 9.699 12 1 3519 1 2.93 2.8050 9.606 12 1 3539 1 2.95 2.8261 9.998 12 1 3540 1 2.62 2.8793 9.803 12 1 3541 1 2.75 2.6871 10.052 12 1 3546 1 2.56 2.7476 9.644 12 1 3547 1 2.73 2.5446 9.757 12 1 3548 1 2.64 3.0081 10.328 12 1 3555 1 2.98 2.6169 9.862 12 1 3556 1 2.49 3.0571 10.057 12 1 3557 1 2.71 2.7728 9.696 12 1 3558 1 2.88 2.1535 10.233 12 1 3563 1 2.87 2.5418 9.975 12 1 3564 1 2.63 2.9297 10.326 12 1 3565 1 2.63 3.0278 10.597 12 1 3566 1 2.69 2.7345 10.419 12 1 3567 1 2.60 3.0499 10.525 12 1 3568 1 2.82 2.4847 11.035 12 1 3569 1 2.78 2.3971 10.690 12 1 3570 1 2.94 2.8363 10.471 12 1 3572 1 2.58 2.8476 10.363 12 1 3573 1 2.64 2.9346 10.376 12 1 3574 1 2.90 2.9631 10.079 12 1 3575 1 2.76 2.8898 10.264 12 1 3576 1 2.72 2.7609 10.029 12 1 3577 1 2.67 2.8968 10.774 12 1 3578 1 2.67 2.9983 9.938 12 1 3579 1 2.71 2.5921 10.692 12 1 3580 1 2.76 2.7692 9.788 12 1 3581 1 2.71 2.6188 10.271 12 1 3582 1 2.60 2.8280 9.701 12 1 3583 1 2.81 3.0541 10.238 12 1 3584 1 2.79 2.8212 9.953 12 1 3585 1 2.76 2.8439 10.141 12 1 3586 1 2.64 2.9430 10.353 12 1 3587 1 2.68 3.0013 10.452 12 1 3588 1 2.82 2.7516 9.981 12 1 3589 1 2.72 2.7353 10.308 12 1 3590 1 2.73 2.8729 10.554 12 1 3591 1 2.76 2.9313 10.252 12 1 3592 1 2.78 2.4067 9.534 12 1 3593 1 2.75 2.8546 10.200 12 1 3594 1 2.64 3.1043 10.512 12 1 3595 1 2.68 2.7686 10.796 12 1 3597 1 2.63 3.0302 9.988 12 1 3602 1 2.78 2.3820 10.301 12 1 3643 1 2.87 2.5776 11.259 12 1 3647 1 2.70 2.7850 10.936 12 1 3648 1 2.69 3.0215 10.985 12 1 3649 1 2.52 2.8490 11.168 12 1 3650 1 2.66 3.1360 10.679 12 1 3651 1 2.61 2.6540 11.002 12 1 3652 1 2.74 2.8730 10.815 12 1 3653 1 2.57 2.9066 11.384 12 1 3654 1 2.59 3.0780 11.171 12 1 3655 1 2.61 2.9851 11.199 12 1 3656 1 2.72 3.0527 11.085 12 1 3660 1 2.71 2.8977 10.696 12 1 3661 1 2.67 2.8651 11.133 12 1 3662 1 2.56 2.8390 10.626 12 1 3663 1 2.81 2.7396 10.989 12 1 3664 1 2.77 2.9896 11.080 12 1 3668 1 2.79 2.7822 11.274 12 1 3669 1 2.80 2.9424 10.580 12 1 3670 1 2.49 2.7967 10.940 12 1 3671 1 2.65 2.8590 10.684 12 1 3672 1 2.61 3.0133 10.755 12 1 3673 1 2.55 2.8502 9.947 12 1 3674 1 2.53 2.8354 10.413 12 1 3675 1 2.72 2.7123 10.628 12 1 3676 1 2.55 2.8158 10.469 12 1 3677 1 2.52 2.5953 11.012 12 1 3678 1 2.85 2.7040 11.091 12 1 3679 1 2.66 2.9312 10.639 12 1 3680 1 2.69 2.9428 9.936 12 1 3681 1 2.87 2.9654 10.800 12 1 3682 1 2.70 2.7665 10.597 12 1 3683 1 2.63 2.9265 11.201 12 1 3685 1 2.67 2.8304 10.603 12 1 3686 1 2.60 2.8904 10.750 12 1 3687 1 2.92 2.7814 11.400 12 1 3688 1 2.71 2.9920 11.213 12 1 3689 1 2.67 2.7500 10.969 12 1 3690 1 2.66 2.8184 11.095 12 1 3691 1 2.72 2.8059 11.041 12 1 3692 1 2.61 2.9839 11.387 12 1 3693 1 2.75 2.8819 11.015 12 1 3694 1 2.67 2.9736 10.814 12 1 3695 1 2.84 2.9716 11.149 12 1 3696 1 2.87 2.5584 10.928 12 1 3697 1 2.71 3.1040 10.973 12 1 3698 1 2.62 3.0427 10.904 12 1 3699 1 2.86 2.5191 10.912 12 1 3700 1 2.55 3.0011 10.676 12 1 3701 1 2.71 2.6739 11.002 12 1 3702 1 2.68 2.6970 10.998 12 1 3703 1 2.56 2.6289 11.401 12 1 3704 1 2.76 2.8764 10.882 12 1 3705 1 2.73 2.7394 10.976 12 1 3706 1 2.84 2.8038 11.023 12 1 3707 1 2.87 2.8625 11.099 12 1 3708 1 2.78 2.7775 11.138 12 1 3709 1 2.72 2.8174 10.616 12 1 3710 1 2.77 2.8032 10.265 12 1 3711 1 2.79 3.0557 10.666 12 1 3712 1 2.82 3.0698 10.389 12 1 3713 1 2.61 2.9127 10.999 12 1 3714 1 2.66 3.0242 11.186 12 1 3715 1 2.74 2.7548 11.166 12 1 3716 1 2.68 2.9650 11.664 12 1 3720 1 2.52 2.8395 10.276 12 1 3721 1 2.87 2.7249 10.279 12 1 3722 1 2.81 2.7591 10.640 12 1 3723 1 2.67 2.9682 10.598 12 1 3724 1 2.55 2.7926 10.614 12 1 3727 1 2.57 3.1026 10.792 12 1 3728 1 2.88 3.0526 11.085 12 1 3729 1 2.88 2.6212 10.628 12 1 3730 1 2.65 2.7398 10.800 12 1 3731 1 2.58 2.9360 10.409 12 1 3732 1 2.89 2.8542 10.706 12 1 3735 1 2.76 2.9625 10.224 12 1 3736 1 2.95 2.4124 10.657 12 1 3737 1 2.62 3.0154 10.550 12 1 3738 1 2.68 2.2829 10.638 12 1 3739 1 2.68 3.0258 10.346 12 1 3740 1 2.66 2.6565 10.302 12 1 3741 1 2.66 2.6931 10.809 12 1 3742 1 2.74 2.8648 10.833 12 1 3743 1 2.90 2.8178 10.909 12 1 3744 1 2.62 3.0775 10.245 12 1 3745 1 2.64 3.0310 10.227 12 1 3746 1 2.72 2.9422 10.581 12 1 3750 1 2.61 3.0447 10.788 12 1 3751 1 2.79 2.9118 10.124 12 1 3752 1 2.66 2.6742 10.563 12 1 3756 1 2.70 2.6323 10.393 ## Starting information for simulation # 2 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 12 5 696 1 2.67 3.0646 12.637 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## 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 12 12 803 1 2.69 2.7101 12.488 12 12 807 1 2.76 2.6675 13.070 12 12 829 1 2.59 2.8867 13.136 ## Starting information for simulation # 13 12 13 1097 1 2.58 3.0387 12.598 12 13 1098 1 2.91 2.4315 12.367 12 13 2309 1 2.66 2.3019 12.487 12 13 2310 1 2.66 2.7091 12.574 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 12 16 7650 1 2.72 2.8318 12.578 12 16 7928 1 2.57 2.8927 12.383 ## Starting information for simulation # 17 ## Starting information for simulation # 18 12 18 4846 1 2.92 2.7389 12.713 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 12 22 8520 1 2.64 2.6972 12.975 ## Starting information for simulation # 23 ## Starting information for simulation # 24 ## Starting information for simulation # 25 12 25 1380 1 2.77 3.0349 11.832 12 25 1567 1 2.97 2.4308 11.920 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 12 28 3282 1 2.69 2.6346 12.937 12 28 3283 1 2.85 2.8788 12.911 12 28 5407 1 2.83 2.8719 12.492 12 28 6044 1 2.74 2.6260 11.340 12 28 6188 1 2.79 2.7920 11.931 12 28 7429 1 2.94 2.4506 12.087 12 28 7798 1 2.97 2.8484 12.606 12 28 8420 1 2.83 2.7999 12.777 12 28 9572 1 2.64 2.6286 12.293 12 28 9868 1 2.99 2.8813 12.592 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32