# Bonding information for index 824 -- PRO_3@O 0MA_13@H6O 0MA_13@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 824 1 8031 2 2.59 2.8483 8.345 824 1 8032 2 2.85 2.6612 8.398 824 1 8033 2 2.79 2.6400 7.505 824 1 8034 2 2.94 2.8918 7.879 824 1 8035 2 2.82 2.9178 8.296 824 1 8037 2 2.90 2.7226 8.161 ## Starting information for simulation # 2 ## Starting information for simulation # 3 ## Starting information for simulation # 4 ## Starting information for simulation # 5 824 5 207 2 2.72 2.8787 11.320 824 5 208 2 2.62 2.8715 10.972 824 5 209 2 2.85 2.8162 11.368 824 5 210 2 2.76 2.9370 10.388 824 5 211 2 2.68 2.4894 10.330 824 5 212 2 2.74 2.6355 10.500 824 5 213 2 2.93 2.9216 10.587 824 5 215 2 2.68 3.0056 10.546 824 5 216 2 2.86 2.8246 10.550 824 5 218 2 2.73 3.0650 10.549 824 5 219 2 2.83 2.8519 10.922 824 5 220 2 2.81 2.6196 10.575 824 5 221 2 2.67 2.6426 10.649 824 5 222 2 2.86 3.0312 10.345 824 5 223 2 2.63 2.9718 11.041 824 5 224 2 2.85 2.7748 10.698 824 5 226 2 2.74 2.8924 10.458 824 5 227 2 2.87 2.8489 10.987 824 5 336 2 2.78 2.4406 11.023 824 5 337 2 2.64 2.9533 11.575 824 5 338 2 2.69 3.0205 11.423 824 5 339 2 2.78 3.0145 10.630 824 5 340 2 2.82 2.7731 10.666 824 5 341 2 2.78 2.6757 10.751 824 5 342 2 2.77 2.6838 10.829 824 5 343 2 2.77 2.9469 11.535 824 5 344 2 2.76 3.0794 10.377 824 5 345 2 2.63 2.9728 11.159 824 5 347 2 2.93 2.9591 10.688 824 5 348 2 2.79 2.9296 10.825 824 5 349 2 2.94 2.8037 11.277 824 5 350 2 3.00 2.8463 10.746 824 5 351 2 2.72 2.8599 11.141 824 5 352 2 2.78 2.9153 11.192 824 5 353 2 2.72 2.5404 11.247 824 5 354 2 2.85 2.7813 10.838 824 5 355 2 2.71 2.9780 10.547 824 5 356 2 2.65 2.9604 10.492 824 5 357 2 2.74 3.0119 10.158 824 5 358 2 2.95 3.0768 10.924 824 5 359 2 2.79 2.9307 10.382 824 5 360 2 2.64 3.0537 9.813 824 5 361 2 2.58 2.9551 9.757 824 5 362 2 2.76 2.7102 9.355 824 5 5269 2 2.94 2.7202 11.675 ## Starting information for simulation # 6 824 6 3183 2 2.98 2.9176 9.510 824 6 3185 2 2.55 2.7032 9.074 824 6 3186 2 2.72 2.7668 9.428 824 6 3188 2 2.69 2.5120 9.694 824 6 3190 2 2.65 2.8242 9.580 824 6 3191 2 2.87 3.0341 9.626 824 6 3192 2 2.76 2.8194 9.727 824 6 3194 2 2.88 2.6882 9.511 824 6 3195 2 2.92 2.6355 9.844 824 6 3196 2 2.62 2.9125 10.191 824 6 3197 2 2.84 2.7743 9.448 824 6 3198 2 2.75 2.7397 9.375 824 6 3199 2 2.74 2.7913 9.065 824 6 3200 2 2.71 2.9932 9.677 824 6 3202 2 2.68 2.9643 8.962 824 6 3203 2 2.90 2.8472 10.066 824 6 3204 2 2.58 2.8614 9.272 824 6 3205 2 2.65 2.8275 9.438 824 6 3206 2 2.74 2.9344 9.493 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 824 9 5929 2 2.77 2.9410 11.692 824 9 5930 2 2.78 3.0836 11.853 824 9 5931 2 2.65 2.8567 11.862 824 9 5932 2 2.77 2.9215 12.259 824 9 5933 2 2.76 3.0082 11.150 ## Starting information for simulation # 10 824 10 8150 2 2.98 2.9340 9.109 824 10 8152 2 2.63 2.9401 8.181 824 10 8156 2 2.54 2.8168 8.314 ## Starting information for simulation # 11 824 11 1501 2 2.69 2.5861 12.474 824 11 1502 2 2.66 2.6543 12.199 824 11 1504 2 2.84 2.9150 12.544 824 11 1647 2 2.81 3.0566 12.033 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## Starting information for simulation # 16 824 16 27 2 2.62 2.8415 9.426 824 16 28 2 2.66 2.8994 9.634 824 16 29 2 2.77 2.9770 9.288 824 16 30 2 2.63 2.9214 9.451 824 16 31 2 2.83 2.9958 9.393 824 16 35 2 2.62 2.7798 9.348 824 16 37 2 2.76 2.7992 9.404 ## Starting information for simulation # 17 ## 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 ## Starting information for simulation # 26 824 26 145 2 2.78 3.0002 11.587 824 26 146 2 2.67 2.8986 11.243 824 26 147 2 2.86 2.7772 11.284 824 26 162 2 2.78 2.9144 10.226 824 26 163 2 2.69 2.9541 9.607 824 26 164 2 2.84 2.9543 9.873 824 26 165 2 2.72 3.0301 9.650 824 26 166 2 2.90 2.6008 9.225 824 26 168 2 2.71 2.4761 10.778 824 26 169 2 2.63 2.9115 11.090 824 26 170 2 2.61 2.8185 10.903 824 26 171 2 2.74 2.9596 11.359 824 26 172 2 2.96 3.0689 11.754 824 26 173 2 2.94 2.3274 11.648 824 26 174 2 2.77 2.6457 10.960 824 26 175 2 2.58 3.0555 10.768 824 26 177 2 2.72 2.7990 11.186 824 26 178 2 2.69 3.0429 10.959 824 26 179 2 2.62 2.6825 10.987 824 26 180 2 2.87 2.7773 11.258 824 26 181 2 2.72 2.8350 11.711 824 26 182 2 2.60 2.8817 10.991 824 26 183 2 2.81 2.9551 10.559 824 26 184 2 2.53 2.9586 10.786 824 26 185 2 2.75 2.9769 10.048 824 26 186 2 2.66 2.7363 10.029 824 26 188 2 2.75 2.7472 10.758 824 26 617 2 2.77 3.0838 9.668 824 26 619 2 2.66 2.8679 8.849 824 26 620 2 2.73 2.9408 8.869 824 26 621 2 2.66 2.8548 8.477 824 26 622 2 2.80 2.9325 9.490 824 26 623 2 2.83 2.8885 9.397 824 26 624 2 2.68 2.9892 9.220 824 26 625 2 2.90 2.7978 9.077 824 26 626 2 2.81 2.7641 9.029 824 26 627 2 2.97 2.6742 8.566 824 26 928 2 2.88 2.1636 8.891 824 26 930 2 2.73 2.8037 8.696 824 26 932 2 2.62 3.1275 9.398 824 26 933 2 2.72 2.6999 8.167 824 26 934 2 2.85 2.9911 8.600 824 26 935 2 2.84 2.8619 8.715 824 26 936 2 2.76 2.9522 8.446 824 26 937 2 2.68 3.0840 8.799 824 26 938 2 2.80 2.8233 8.919 824 26 1066 2 2.69 2.8599 11.086 824 26 1067 2 2.59 2.8569 11.097 824 26 1068 2 2.65 2.9611 10.796 824 26 1069 2 2.65 2.8860 10.113 824 26 1070 2 2.86 2.6480 10.518 824 26 1071 2 2.82 3.0371 11.110 824 26 1072 2 2.83 2.6220 11.072 824 26 1076 2 2.66 2.6584 11.280 824 26 1077 2 2.58 2.7206 10.874 824 26 1078 2 2.94 2.7173 11.280 824 26 1079 2 2.60 3.0195 11.226 824 26 1080 2 2.93 2.9861 10.182 824 26 1082 2 2.69 2.8961 10.478 824 26 1083 2 2.76 2.9113 10.509 824 26 1084 2 2.92 2.9794 10.271 ## Starting information for simulation # 27 824 27 237 2 2.71 2.8179 12.865 824 27 238 2 2.58 2.8188 12.889 824 27 239 2 2.59 3.0116 12.821 ## Starting information for simulation # 28 ## Starting information for simulation # 29 ## Starting information for simulation # 30 824 30 3172 2 2.75 2.8238 12.800 824 30 3173 2 2.84 2.8804 12.650 824 30 3174 2 2.83 3.0192 12.632 824 30 3175 2 2.97 2.5653 13.285 824 30 3176 2 2.61 2.5761 12.513 824 30 3177 2 2.91 3.0280 13.152 ## Starting information for simulation # 31 ## Starting information for simulation # 32 824 32 140 2 2.58 3.0632 8.680 824 32 141 2 2.68 3.0428 9.396 824 32 142 2 2.59 3.0678 9.401 824 32 143 2 2.65 2.8791 9.831 824 32 144 2 2.62 2.9266 10.449 824 32 145 2 2.77 3.0623 11.355 824 32 146 2 2.76 2.8014 10.878 824 32 147 2 2.74 2.7239 9.514 824 32 148 2 2.84 3.0857 10.065 824 32 149 2 2.71 2.7344 10.360 824 32 150 2 2.77 2.8728 9.865 824 32 151 2 2.58 2.9432 11.788 824 32 152 2 2.80 2.9491 10.871 824 32 153 2 2.69 2.9547 9.672 824 32 155 2 2.57 3.0715 10.026 824 32 160 2 2.75 2.8606 11.568 824 32 161 2 2.63 2.6496 11.286 824 32 163 2 2.72 2.9251 10.512 824 32 164 2 2.71 2.8083 10.482 824 32 165 2 2.83 2.7992 10.891 824 32 166 2 2.54 2.7992 10.652 824 32 167 2 2.72 2.9108 10.762 824 32 168 2 2.71 2.8047 10.727 824 32 169 2 2.89 2.8656 10.497 824 32 170 2 2.73 2.7800 10.622 824 32 172 2 2.61 2.9238 10.280 824 32 173 2 2.81 2.9439 10.194 824 32 174 2 2.60 2.6470 10.232 824 32 175 2 2.83 2.7782 10.437 824 32 176 2 2.76 3.0324 11.173 824 32 177 2 2.73 2.8188 11.094 824 32 178 2 2.74 2.8180 11.418 824 32 179 2 2.70 2.8906 11.313 824 32 187 2 2.55 2.7865 10.521 824 32 739 2 2.89 2.7877 10.955 824 32 740 2 2.76 2.8243 11.636 824 32 741 2 2.75 3.0064 11.705 824 32 742 2 2.57 2.9881 11.348 824 32 743 2 2.72 3.0482 10.784 824 32 744 2 2.62 2.9591 10.936 824 32 748 2 2.67 2.7888 11.762 824 32 749 2 2.65 2.8790 11.354 824 32 750 2 2.91 2.9736 12.189 824 32 751 2 2.99 2.7267 11.836 824 32 752 2 2.79 2.8755 11.511 824 32 754 2 2.87 2.8282 11.694 824 32 755 2 2.65 2.9726 11.912 824 32 756 2 2.73 2.8899 11.791 824 32 757 2 2.91 2.5785 11.674 824 32 758 2 2.76 3.0007 12.561 824 32 760 2 2.70 2.9340 11.771 824 32 761 2 2.80 2.8991 11.530 824 32 762 2 2.87 2.9348 11.624 824 32 763 2 2.69 2.6670 11.261 824 32 764 2 2.68 2.8632 10.763 824 32 765 2 2.73 2.9733 10.962 824 32 766 2 2.88 3.0186 11.629 824 32 1014 2 2.85 2.9926 11.510 824 32 1015 2 2.88 2.2676 11.675 824 32 1016 2 2.96 2.9087 10.814 824 32 1024 2 2.65 2.9841 10.899 824 32 1025 2 2.76 2.9739 10.772 824 32 1026 2 2.62 3.0175 11.553 824 32 1027 2 2.61 2.7811 11.685 824 32 1032 2 2.64 2.9458 10.764 824 32 1363 2 2.81 2.7349 11.942 824 32 1365 2 2.75 2.7716 13.452 824 32 1715 2 2.69 2.8815 12.454 824 32 1716 2 2.64 2.7838 12.411 824 32 1718 2 2.60 2.9562 11.762 824 32 1719 2 2.80 2.7381 12.157 824 32 1720 2 2.63 2.9490 11.075 824 32 1721 2 2.77 2.9358 11.759 824 32 1722 2 2.85 3.0382 11.300 824 32 1723 2 2.79 2.8574 10.809 824 32 1725 2 2.62 2.9341 11.658 824 32 1726 2 2.73 2.9117 10.809 824 32 1727 2 2.70 2.8990 10.831 824 32 1728 2 2.82 2.6415 10.514 824 32 1729 2 2.69 2.8010 10.031 824 32 1730 2 2.80 2.7330 10.542 824 32 1731 2 2.81 2.7932 11.024 824 32 2022 2 2.83 2.8734 10.556 824 32 2023 2 2.62 2.9173 9.907 824 32 2024 2 2.65 2.9023 9.391 824 32 2025 2 2.64 2.7263 9.295 824 32 2026 2 2.69 2.9675 10.272 824 32 2027 2 2.91 2.5820 9.879 824 32 2028 2 2.74 2.9410 10.483 824 32 2029 2 2.63 2.7586 10.137 824 32 2030 2 2.60 2.8615 10.762 824 32 2031 2 2.71 2.9577 9.622 824 32 2032 2 2.65 3.0965 10.385 824 32 2033 2 2.72 2.9036 9.647 824 32 2034 2 2.85 2.9665 9.542 824 32 2035 2 2.54 2.5249 10.074 824 32 2037 2 2.65 2.8756 11.111 824 32 2038 2 2.99 2.7623 10.900 824 32 2040 2 2.66 2.8261 9.523 824 32 2041 2 2.79 2.8716 10.503 824 32 2042 2 2.66 2.8734 10.706 824 32 2048 2 2.77 2.6843 10.742 824 32 2049 2 2.80 2.7714 10.453 824 32 2050 2 2.74 2.8656 10.683 824 32 2051 2 2.85 2.9292 10.273 824 32 2052 2 2.60 2.9977 10.310 824 32 2053 2 2.78 2.8607 9.467 824 32 2054 2 2.73 2.5540 9.316 824 32 2228 2 2.65 2.9872 11.436 824 32 2230 2 2.65 2.7784 12.426 824 32 3157 2 3.00 2.8385 11.025 824 32 3158 2 2.44 2.9851 11.043 824 32 3160 2 2.82 2.6501 10.011 824 32 3161 2 2.74 2.8168 10.667 824 32 3162 2 2.72 3.0007 10.136 824 32 3163 2 2.51 2.8076 10.292 824 32 3164 2 2.96 2.9770 10.317 824 32 8969 2 2.62 2.9409 10.607 ## Starting information for simulation # 33 ## Starting information for simulation # 34 824 34 3288 2 2.93 2.5266 10.982 824 34 3289 2 2.97 3.0337 10.903 824 34 3291 2 2.73 2.4706 11.511 ## Starting information for simulation # 35 ## Starting information for simulation # 36 824 36 6025 2 2.74 2.8166 11.003 824 36 6026 2 2.57 2.8673 10.010 824 36 6027 2 2.80 2.8028 9.187 824 36 6028 2 2.93 2.7823 10.015 824 36 6042 2 2.56 2.8148 10.741 824 36 6043 2 2.71 2.8162 9.806 824 36 6044 2 2.53 2.9932 9.655 824 36 6045 2 2.98 2.8542 9.668