# Bonding information for index 301 -- 0VA_15@O6 0VA_13@H3O 0VA_13@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 301 2 3507 1 2.91 2.8722 12.931 301 2 3514 1 2.88 1.9461 13.038 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 301 5 373 1 2.67 2.9459 13.853 301 5 375 1 2.68 2.8242 14.242 301 5 376 1 2.80 2.9787 13.993 301 5 377 1 2.90 2.9126 14.054 301 5 378 1 2.59 2.6772 13.931 301 5 2603 1 2.78 2.6387 14.316 301 5 2604 1 2.69 2.6176 14.398 301 5 2605 1 2.95 3.0611 14.249 301 5 2606 1 2.63 2.8780 13.699 301 5 2607 1 2.74 2.7365 13.690 301 5 2608 1 2.73 3.0931 14.069 301 5 2609 1 2.89 3.1144 13.949 301 5 2611 1 2.55 2.6493 14.000 301 5 2612 1 2.69 2.7980 13.963 301 5 2622 1 2.77 3.0027 13.876 301 5 2815 1 2.82 2.7684 14.463 301 5 2818 1 2.63 2.5968 14.112 301 5 2819 1 2.80 2.7897 14.327 301 5 2822 1 2.88 2.5164 14.289 301 5 3179 1 2.85 2.8887 12.980 301 5 3181 1 2.94 1.7543 13.273 301 5 3182 1 2.54 2.9633 12.802 301 5 3184 1 2.77 2.3326 12.777 301 5 3186 1 2.76 2.7489 12.947 301 5 3187 1 2.74 3.0945 13.117 301 5 3189 1 2.74 3.0545 13.027 301 5 3192 1 2.69 2.9320 12.837 301 5 3193 1 2.99 2.9818 13.135 301 5 3195 1 2.62 2.5742 13.157 301 5 3196 1 2.99 2.3998 13.061 301 5 3197 1 2.97 2.7708 12.829 301 5 3198 1 2.85 3.0028 13.054 301 5 3199 1 2.84 2.9578 12.992 301 5 3206 1 2.81 3.0904 13.629 301 5 3207 1 2.91 3.0129 13.247 301 5 3208 1 2.63 2.5234 13.233 301 5 3226 1 2.85 3.0187 12.564 301 5 3227 1 2.90 2.8045 12.864 301 5 3229 1 2.72 2.8571 12.633 301 5 3230 1 2.87 2.9072 13.030 301 5 3231 1 2.68 2.5867 12.944 301 5 3233 1 2.71 3.0191 12.887 301 5 3304 1 2.81 2.9485 13.615 301 5 3305 1 2.73 2.7445 13.421 301 5 3335 1 2.96 1.8303 13.275 301 5 3337 1 2.74 2.6607 12.932 301 5 3739 1 2.82 2.8605 13.060 301 5 3740 1 2.71 2.8735 13.358 301 5 3741 1 2.85 2.5243 12.968 301 5 3742 1 2.98 2.7318 13.281 301 5 3743 1 2.57 2.6018 12.962 301 5 3744 1 2.87 2.8170 12.907 301 5 3745 1 2.90 2.6658 12.735 301 5 3746 1 2.59 2.7844 12.830 301 5 3747 1 2.82 2.8644 13.091 301 5 3748 1 2.99 3.0257 13.049 301 5 3749 1 2.78 3.0254 13.091 301 5 3750 1 2.78 2.8793 12.959 301 5 3751 1 2.63 2.8165 13.404 301 5 3752 1 2.77 2.9605 13.414 301 5 3754 1 2.75 2.5928 13.481 301 5 3755 1 2.76 2.5261 13.384 301 5 3756 1 2.80 2.7057 13.026 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 301 9 6186 1 2.95 2.6239 14.018 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 301 12 145 1 2.63 2.6514 13.015 301 12 154 1 2.72 3.0646 13.404 301 12 155 1 2.68 2.8936 13.937 301 12 156 1 2.90 2.2769 13.682 301 12 754 1 2.83 3.0536 13.571 301 12 1082 1 2.86 2.5690 13.686 301 12 1083 1 2.81 2.6496 13.765 301 12 1085 1 2.69 2.9638 13.865 301 12 1235 1 2.82 2.8896 14.059 301 12 1236 1 2.86 2.8740 13.823 301 12 1237 1 2.81 2.9774 14.171 301 12 1238 1 2.85 2.9074 14.202 301 12 1239 1 2.67 2.9003 14.322 301 12 1240 1 2.66 2.9807 13.795 301 12 1241 1 2.66 2.8123 13.811 301 12 1242 1 2.82 2.7670 13.437 301 12 1243 1 2.81 2.9228 14.076 301 12 1244 1 2.72 3.0059 14.206 301 12 1245 1 2.76 2.6807 13.835 301 12 1246 1 2.77 3.0011 13.987 301 12 1247 1 2.81 2.8525 13.981 301 12 1248 1 2.78 3.0329 13.969 301 12 1265 1 2.89 2.8454 14.024 301 12 1266 1 2.89 2.4678 13.912 301 12 1267 1 2.86 2.8692 13.883 301 12 2409 1 2.85 2.7164 12.837 301 12 2412 1 2.91 2.5943 13.072 301 12 2413 1 2.79 2.9252 13.015 301 12 2414 1 2.91 2.8234 13.281 301 12 2415 1 2.70 2.6867 13.015 301 12 2417 1 2.86 3.0476 13.323 301 12 2418 1 2.91 2.7957 12.935 301 12 3280 1 2.83 2.8507 13.255 ## Starting information for simulation # 13 301 13 74 1 2.70 2.7364 13.945 301 13 75 1 2.56 2.9328 14.159 301 13 76 1 2.99 2.4955 13.916 301 13 640 1 2.63 2.7908 14.049 301 13 641 1 2.94 2.5525 14.115 301 13 2115 1 2.97 2.7960 13.920 301 13 2116 1 2.85 2.6250 14.018 301 13 2117 1 2.95 2.5281 13.926 301 13 2118 1 2.97 3.0696 13.914 301 13 2119 1 2.68 2.6587 13.938 301 13 2121 1 2.95 2.9784 13.830 301 13 2124 1 2.65 2.9060 14.256 301 13 2125 1 2.68 2.8309 14.184 301 13 2128 1 2.85 2.1196 14.371 301 13 2132 1 2.95 2.6087 13.792 301 13 2651 1 2.84 2.0850 12.486 301 13 2652 1 2.78 3.0112 12.974 301 13 2653 1 2.69 2.5577 12.824 301 13 7971 1 2.65 2.9641 12.218 301 13 8687 1 2.87 2.8160 12.177 301 13 8689 1 2.76 2.8841 12.235 301 13 8690 1 2.69 2.7418 12.359 301 13 8696 1 2.63 2.9324 12.644 301 13 8697 1 2.71 2.9830 12.207 301 13 8698 1 2.79 2.5721 12.093 301 13 8699 1 2.64 3.0110 12.188 301 13 8700 1 2.62 2.6922 12.225 301 13 8702 1 2.68 2.7457 12.316 301 13 8703 1 2.97 2.3897 12.428 301 13 9584 1 2.84 2.8488 12.136 ## Starting information for simulation # 14 301 14 428 1 2.74 3.0178 14.163 301 14 430 1 2.94 2.7085 14.171 301 14 431 1 2.79 2.7107 14.438 301 14 488 1 2.76 2.9161 13.107 301 14 507 1 2.75 2.8655 13.317 301 14 508 1 2.84 2.5116 12.926 301 14 510 1 2.66 2.7191 13.225 301 14 511 1 2.78 2.9549 12.770 301 14 512 1 2.76 2.7794 12.847 301 14 513 1 2.61 2.9357 12.629 301 14 514 1 2.73 2.5692 13.082 301 14 515 1 2.97 2.8933 13.136 ## Starting information for simulation # 15 301 15 352 1 2.85 2.8174 14.197 301 15 353 1 2.92 2.9908 14.351 301 15 1060 1 2.82 2.6418 12.937 301 15 1067 1 2.76 2.9158 13.139 301 15 1068 1 2.86 2.7848 12.781 301 15 1069 1 2.78 2.7578 13.103 301 15 1070 1 2.84 2.8508 12.685 301 15 1071 1 2.68 2.8386 12.919 301 15 3088 1 2.89 3.0361 11.770 301 15 3094 1 2.98 2.5074 12.308 301 15 3095 1 2.85 2.6203 12.486 301 15 3096 1 2.77 2.7529 12.132 301 15 3097 1 2.64 2.9370 11.964 301 15 3098 1 2.71 2.6561 12.172 301 15 3099 1 2.65 3.0057 12.138 301 15 3101 1 2.74 2.6044 12.794 301 15 3102 1 2.98 2.6752 12.539 301 15 3224 1 2.86 2.6043 12.443 301 15 3225 1 2.64 2.8668 12.760 301 15 8252 1 3.00 2.5523 12.610 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 301 18 4588 1 2.93 2.8183 14.044 301 18 4589 1 2.78 2.6080 13.338 301 18 4590 1 2.79 2.6314 13.806 301 18 4591 1 2.76 2.5878 13.862 301 18 5848 1 2.88 2.7641 14.015 ## Starting information for simulation # 19 301 19 733 1 2.86 2.9015 14.269 301 19 3848 1 2.56 2.5632 13.891 301 19 3849 1 2.95 2.7673 14.272 301 19 3850 1 2.87 2.9900 13.513 ## Starting information for simulation # 20 301 20 7174 1 2.97 2.0820 13.880 301 20 7176 1 2.82 2.7249 13.391 ## Starting information for simulation # 21 301 21 6077 1 2.74 2.7784 12.874 301 21 6078 1 2.98 2.8277 12.880 301 21 6079 1 2.68 3.1002 13.456 301 21 6080 1 2.66 2.9695 12.972 301 21 6082 1 2.61 2.9368 13.323 301 21 6083 1 2.61 2.9550 13.276 301 21 6084 1 2.94 2.6657 13.028 301 21 6085 1 2.75 2.9674 12.768 301 21 6086 1 2.82 2.6230 13.230 301 21 6088 1 2.73 2.5392 13.052 301 21 6090 1 2.69 3.0541 13.328 301 21 8951 1 2.78 2.8356 14.181 ## Starting information for simulation # 22 301 22 8580 1 2.84 2.9229 13.632 301 22 8581 1 2.84 2.6925 13.729 301 22 8582 1 2.81 2.9199 14.181 301 22 8583 1 2.75 2.7809 13.896 ## Starting information for simulation # 23 ## Starting information for simulation # 24 301 24 8337 1 2.99 2.9590 13.220 301 24 8338 1 2.85 2.8938 13.264 301 24 8339 1 2.99 2.8354 12.946 ## Starting information for simulation # 25 301 25 3399 1 2.95 2.8198 13.101 301 25 3400 1 2.99 2.7922 12.893 301 25 3401 1 2.86 2.8445 13.163 301 25 3402 1 2.85 2.7216 12.669 301 25 3403 1 2.83 3.0640 13.258 301 25 3404 1 2.99 2.3780 13.013 301 25 5580 1 2.71 2.5525 13.370 301 25 5581 1 2.79 2.8571 13.491 301 25 5582 1 2.63 2.7306 13.659 301 25 5583 1 2.98 2.7260 14.254 301 25 9351 1 2.91 2.8837 13.712 301 25 9353 1 2.61 2.9295 13.608 301 25 9354 1 2.80 2.8391 13.944 301 25 9355 1 2.98 2.7773 13.747 ## Starting information for simulation # 26 ## Starting information for simulation # 27 301 27 5895 1 2.77 2.5416 14.116 301 27 5897 1 2.66 2.6565 13.705 301 27 5898 1 2.94 2.8143 13.670 301 27 5899 1 2.92 2.8021 13.823 301 27 5921 1 2.84 2.4688 13.664 301 27 5923 1 2.80 2.7084 13.898 ## Starting information for simulation # 28 301 28 940 1 2.77 2.8632 13.708 301 28 1001 1 2.76 2.8187 13.664 301 28 1002 1 2.72 3.0314 14.037 301 28 1003 1 2.98 2.8213 13.854 301 28 1006 1 2.76 2.8491 13.820 301 28 1020 1 2.94 2.8110 14.033 301 28 1027 1 2.65 2.9707 14.207 301 28 1029 1 2.82 2.8114 13.841 301 28 1030 1 2.87 2.6546 14.097 301 28 1031 1 2.86 2.7671 13.754 301 28 1033 1 2.78 2.4538 13.577 301 28 4611 1 2.93 1.9086 13.840 301 28 4894 1 2.82 3.0718 13.826 301 28 4895 1 2.71 2.8198 13.909 301 28 4896 1 2.76 2.7162 13.513 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 301 31 7432 1 2.78 3.0015 13.212 ## Starting information for simulation # 32