# Bonding information for index 61 -- 0MA_12@O4 0MA_15@H3O 0MA_15@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 ## Starting information for simulation # 3 61 3 8471 1 2.93 1.8858 10.095 ## Starting information for simulation # 4 61 4 29 1 2.76 2.8565 11.704 61 4 891 1 2.99 2.3890 13.296 61 4 969 1 2.57 2.5560 12.515 61 4 993 1 2.77 2.1632 12.604 ## Starting information for simulation # 5 61 5 6926 1 2.93 3.0421 12.044 61 5 6927 1 2.94 2.8974 11.803 61 5 6929 1 2.74 2.8526 11.616 61 5 6930 1 2.79 2.9194 11.659 61 5 6931 1 2.61 3.0972 11.762 61 5 6932 1 2.77 2.9867 11.293 61 5 6933 1 2.70 2.9063 11.339 61 5 6934 1 2.74 2.8447 11.884 61 5 6935 1 2.76 2.9569 11.428 61 5 6936 1 2.81 2.6775 11.619 61 5 6937 1 2.80 2.8730 11.484 61 5 6939 1 2.84 2.7630 12.253 ## Starting information for simulation # 6 ## Starting information for simulation # 7 61 7 4057 1 2.92 2.7949 13.195 61 7 4058 1 2.76 2.9651 13.069 61 7 4404 1 2.90 2.8203 12.927 61 7 4406 1 2.79 2.5699 12.329 61 7 4417 1 2.69 2.2426 12.784 61 7 4418 1 2.83 1.9708 12.937 61 7 4419 1 2.68 2.3210 12.772 61 7 4420 1 2.77 2.7044 12.791 61 7 4422 1 2.86 2.5565 13.049 61 7 4423 1 2.58 2.8484 12.216 61 7 4424 1 2.86 2.4835 12.782 61 7 4425 1 2.62 2.9513 12.577 61 7 4426 1 2.64 2.9160 12.730 61 7 4427 1 2.93 2.9771 12.655 61 7 4428 1 2.75 2.7944 12.463 61 7 4429 1 2.73 2.7296 12.673 61 7 4430 1 2.84 3.0522 11.897 61 7 4432 1 2.88 2.4094 12.063 61 7 4433 1 2.71 2.3352 12.625 61 7 4434 1 2.84 2.8935 12.122 61 7 4435 1 2.71 2.3480 12.198 61 7 4436 1 2.77 2.6900 12.041 61 7 4437 1 2.74 2.2054 12.655 61 7 4439 1 2.85 2.3147 11.876 61 7 4970 1 2.93 2.9043 12.378 61 7 4971 1 2.92 2.5726 12.072 ## Starting information for simulation # 8 61 8 4156 1 2.59 2.6515 11.087 61 8 4157 1 2.96 2.8356 11.193 61 8 4158 1 2.67 2.8038 10.618 61 8 4159 1 2.77 2.7949 11.009 61 8 4160 1 2.68 3.0277 10.882 61 8 4161 1 2.85 2.9504 10.314 61 8 4162 1 2.77 2.7819 10.466 61 8 4164 1 2.91 2.0397 10.782 61 8 4165 1 2.74 2.5785 10.014 61 8 4167 1 2.82 2.0525 9.919 61 8 4169 1 2.85 2.5897 9.823 61 8 4170 1 2.86 2.9686 9.989 61 8 4171 1 2.67 2.9835 10.951 61 8 4172 1 2.88 2.9379 11.014 61 8 4173 1 2.67 2.6155 10.637 61 8 4174 1 2.83 2.9478 10.623 61 8 4175 1 2.89 2.5705 11.024 61 8 4176 1 2.74 2.6872 10.615 61 8 5000 1 2.88 2.9626 9.583 61 8 5441 1 2.88 2.3832 11.010 61 8 5448 1 2.67 2.9295 10.915 61 8 5450 1 2.66 2.6182 11.216 61 8 5451 1 2.78 2.9414 10.272 61 8 5475 1 2.88 2.7750 11.189 61 8 5970 1 2.91 2.2887 11.172 61 8 5973 1 2.88 2.9222 11.275 61 8 6700 1 2.99 3.0495 9.710 61 8 6701 1 2.95 2.7122 10.063 61 8 6702 1 2.94 2.6648 9.554 61 8 6707 1 2.97 2.7783 9.512 61 8 7024 1 2.86 2.7731 10.473 61 8 8431 1 2.72 2.9822 9.401 61 8 8432 1 2.80 2.5517 8.957 61 8 9953 1 2.79 2.7014 9.051 61 8 9954 1 2.76 2.7995 8.894 61 8 9955 1 2.72 2.8587 8.792 61 8 9956 1 2.83 2.9921 8.743 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 61 11 1316 1 3.00 2.1260 12.037 61 11 1320 1 2.80 2.5735 12.146 61 11 1322 1 2.65 3.0657 11.928 ## Starting information for simulation # 12 61 12 755 1 2.94 2.1836 10.128 61 12 757 1 2.95 2.6819 9.430 61 12 758 1 2.86 2.8507 10.137 61 12 759 1 2.88 2.6723 10.424 61 12 760 1 2.88 2.4088 10.048 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## 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 ## Starting information for simulation # 21 61 21 4158 1 2.89 3.0049 7.557 61 21 4354 1 2.69 2.8906 8.215 61 21 4355 1 2.72 2.5431 8.683 61 21 4356 1 2.73 2.9310 8.421 61 21 4358 1 2.85 2.5865 8.331 61 21 4360 1 2.91 2.8899 8.214 ## Starting information for simulation # 22 61 22 979 1 2.88 2.7584 11.062 61 22 980 1 2.78 2.6330 10.960 61 22 981 1 2.76 2.8402 10.834 61 22 990 1 2.76 3.1119 10.879 61 22 991 1 2.64 2.7332 11.266 61 22 992 1 2.83 2.8056 11.036 61 22 993 1 2.75 2.8949 11.485 61 22 1005 1 2.67 2.7780 11.959 61 22 1007 1 2.95 2.5315 11.611 61 22 1128 1 2.76 2.8300 11.472 ## Starting information for simulation # 23 61 23 50 1 3.00 1.9695 12.131 61 23 51 1 2.98 1.7707 12.340 61 23 157 1 2.62 2.7210 12.248 61 23 158 1 2.83 2.6599 12.379 61 23 159 1 2.93 2.8836 12.154 61 23 161 1 2.99 2.8881 12.120 61 23 163 1 2.78 2.8344 11.630 61 23 164 1 2.94 2.3767 11.620 61 23 165 1 2.85 2.5633 11.950 61 23 166 1 2.61 2.6387 11.423 61 23 167 1 2.83 2.4875 11.833 61 23 168 1 2.81 2.9044 11.447 61 23 170 1 2.74 2.4474 11.355 61 23 171 1 2.74 3.0173 11.620 61 23 172 1 2.67 2.6305 11.793 61 23 173 1 2.91 2.7885 11.166 61 23 174 1 2.71 2.7143 11.020 61 23 175 1 2.70 2.3725 11.173 61 23 176 1 2.80 2.3528 11.006 61 23 178 1 2.84 2.8697 11.346 61 23 179 1 2.94 2.5678 10.743 61 23 181 1 2.68 2.8304 11.964 61 23 183 1 2.67 2.7345 11.915 61 23 226 1 2.80 2.9743 11.314 61 23 227 1 2.67 2.8989 12.102 61 23 228 1 2.66 2.8216 11.619 61 23 229 1 2.64 2.5590 11.275 61 23 230 1 2.74 2.9242 11.260 61 23 231 1 2.76 2.7158 11.182 61 23 232 1 2.65 2.8034 11.802 61 23 233 1 2.72 2.8192 11.235 61 23 234 1 2.81 2.9241 11.407 61 23 236 1 2.67 2.9500 11.450 61 23 237 1 2.94 1.9594 11.465 61 23 238 1 2.69 2.9700 10.635 61 23 239 1 2.66 2.8038 10.350 61 23 240 1 2.93 2.4415 11.259 61 23 318 1 2.75 2.7434 11.525 61 23 319 1 2.70 2.6561 11.278 61 23 320 1 2.80 2.5783 11.306 61 23 321 1 2.81 2.9616 10.939 61 23 323 1 2.82 2.6135 10.984 61 23 324 1 2.85 2.6895 12.325 61 23 325 1 2.82 2.4533 11.951 61 23 327 1 2.67 2.3310 11.278 61 23 328 1 2.83 2.7640 11.432 61 23 329 1 2.80 2.3683 11.250 61 23 1730 1 2.85 2.9445 11.863 61 23 1765 1 2.69 2.8116 11.155 61 23 1766 1 2.59 2.8121 11.364 61 23 1769 1 2.98 1.8829 11.649 61 23 2961 1 2.75 2.9222 12.069 61 23 2962 1 2.95 2.4239 12.008 61 23 2964 1 2.78 2.3774 11.331 61 23 3792 1 2.79 2.9059 12.198 61 23 3793 1 2.58 2.9634 11.288 61 23 3794 1 2.92 2.8283 11.704 61 23 3812 1 2.91 2.7149 11.257 61 23 3849 1 2.71 2.8390 12.128 ## Starting information for simulation # 24 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 61 28 7254 1 2.79 2.5832 8.829 61 28 7255 1 2.64 2.7135 9.315 61 28 7256 1 2.89 3.0972 9.393 61 28 7257 1 2.61 2.9699 8.935 61 28 7258 1 2.65 2.8795 9.118 61 28 7259 1 2.86 2.8395 8.791 61 28 7262 1 2.83 2.9313 8.791 61 28 7349 1 2.75 2.9521 9.107 61 28 7350 1 2.79 2.8109 9.226 61 28 7352 1 2.87 2.8851 9.173 61 28 7353 1 2.84 2.7651 9.644 61 28 7354 1 2.77 3.0041 9.348 61 28 7355 1 2.89 3.0040 9.649 61 28 7356 1 2.71 2.9685 9.157 61 28 7357 1 2.88 2.9626 9.602 61 28 7359 1 2.83 2.6013 9.330 61 28 7361 1 2.88 2.9258 9.731 61 28 7362 1 2.80 2.7104 9.534 61 28 7363 1 2.79 2.7426 9.476 61 28 7366 1 2.96 2.5077 9.500 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 61 33 29 1 2.76 2.8565 11.704 ## Starting information for simulation # 34 ## Starting information for simulation # 35 61 35 326 1 2.73 2.8845 12.859 61 35 327 1 2.86 2.8157 12.618 61 35 328 1 2.96 2.9213 12.597 61 35 329 1 2.77 2.4334 12.155 61 35 1473 1 2.85 2.5544 13.137 61 35 1507 1 2.97 2.4011 12.409 61 35 1508 1 2.73 2.3968 12.968 61 35 1527 1 2.58 2.6606 12.643 61 35 1706 1 2.96 2.9423 13.452 61 35 1759 1 2.81 3.0600 12.683 61 35 1760 1 2.78 2.6998 12.424 61 35 1761 1 2.72 2.5122 12.753 61 35 1763 1 2.97 2.7290 12.670 61 35 1764 1 2.74 2.8853 12.476 61 35 1765 1 2.94 2.4850 11.956 61 35 1766 1 2.78 2.5871 12.190 61 35 1767 1 2.68 2.4934 12.571 61 35 1768 1 2.77 2.4434 12.518 61 35 1770 1 2.79 2.7725 12.408 61 35 1771 1 2.77 2.7483 12.817 61 35 1773 1 2.94 2.6562 12.277 61 35 1774 1 2.89 2.7467 12.355 61 35 1865 1 2.70 2.2489 12.945 61 35 1869 1 2.85 2.9038 12.254 61 35 1870 1 2.70 3.0716 12.158 61 35 1871 1 2.89 2.7787 12.250 61 35 1872 1 2.92 2.8536 12.408 61 35 1984 1 2.88 3.0138 12.821 61 35 1988 1 2.88 2.5582 12.913 61 35 1990 1 2.84 2.4156 12.910 61 35 1991 1 2.88 2.6955 13.347 61 35 2005 1 2.64 2.9733 11.997 61 35 2006 1 2.77 2.5504 12.107 61 35 2007 1 2.87 2.8541 12.641 61 35 2024 1 2.85 2.5463 12.940 61 35 2025 1 2.88 2.5717 13.489 61 35 2059 1 2.81 2.8347 13.532 61 35 2775 1 2.80 2.8758 12.457 61 35 2777 1 2.96 2.0472 12.183 61 35 2890 1 2.96 2.6609 12.483 61 35 2923 1 2.75 2.8784 12.607 61 35 2924 1 2.78 2.8765 12.983 61 35 2973 1 2.94 1.7739 12.390 61 35 3041 1 2.80 2.8758 12.210 61 35 3064 1 2.95 1.7609 12.799 61 35 3081 1 2.87 2.7227 12.894 61 35 3103 1 2.84 2.4746 13.028 61 35 3104 1 2.70 2.6423 13.299 61 35 3105 1 2.93 2.8339 13.041 61 35 3106 1 2.72 3.0257 13.030 61 35 3107 1 2.67 2.9693 13.040 61 35 3108 1 2.78 2.7107 13.222 61 35 3109 1 2.79 2.8058 12.920 61 35 3112 1 2.86 2.2633 12.278 61 35 3115 1 2.71 2.9413 12.819 61 35 3130 1 2.84 1.8193 12.779 61 35 3138 1 2.71 2.8164 12.494 61 35 3139 1 2.80 2.6528 12.678 61 35 3140 1 2.88 2.4994 12.793 61 35 3144 1 2.85 2.3667 12.463 61 35 3291 1 2.64 3.0609 12.937 61 35 3292 1 2.88 2.8851 12.278 61 35 3294 1 2.87 3.0323 12.599 61 35 3325 1 2.94 1.7455 12.585 61 35 3587 1 2.92 2.8322 12.663 61 35 3588 1 2.93 2.4976 12.779 61 35 3596 1 2.71 2.5161 12.645 61 35 3597 1 2.77 2.6701 12.108 61 35 3599 1 2.84 2.6686 12.356 61 35 3600 1 2.75 2.8078 13.056 61 35 3601 1 3.00 2.7559 12.576 61 35 3602 1 2.61 2.7600 12.576 61 35 3603 1 2.90 2.6520 13.316 61 35 3749 1 2.69 2.8954 12.638 61 35 3800 1 2.83 2.6218 12.656 61 35 3970 1 2.86 2.7258 12.350 61 35 3999 1 2.72 2.6867 13.074 61 35 4000 1 2.93 2.2450 12.389 61 35 4001 1 2.83 2.8993 12.520 61 35 4002 1 2.66 2.7289 12.650 61 35 4004 1 2.73 2.3666 12.377 61 35 4170 1 2.98 2.8364 12.943 61 35 4305 1 2.76 2.5810 12.487 61 35 4307 1 2.77 2.7277 12.461 61 35 4373 1 2.91 2.5271 12.772 61 35 4374 1 2.73 2.9631 12.992 61 35 4375 1 2.85 2.5608 12.716 61 35 4376 1 2.80 2.8008 12.395 61 35 4377 1 2.88 2.1653 12.876 61 35 4441 1 2.62 2.8954 12.747 61 35 4454 1 2.72 2.6192 12.976 61 35 4458 1 2.96 2.3697 12.743 61 35 4602 1 2.99 2.6068 12.536 61 35 4605 1 2.88 2.1173 12.560 61 35 4665 1 2.59 2.9787 12.724 61 35 4697 1 2.89 2.6912 12.685 61 35 4698 1 2.77 2.6012 12.271 61 35 4702 1 2.88 2.9587 12.347 61 35 4706 1 2.63 2.5325 11.995 61 35 4716 1 2.83 2.1938 12.488 61 35 4814 1 2.80 2.4318 12.805 61 35 4815 1 2.73 2.6373 12.717 61 35 4842 1 2.79 2.6844 12.615 61 35 4843 1 2.93 2.4584 12.383 61 35 4844 1 2.69 2.6902 12.224 61 35 4845 1 2.91 2.1940 12.246 61 35 4847 1 2.78 2.5880 12.224 61 35 4848 1 2.74 2.4701 12.677 61 35 4849 1 2.80 2.1203 12.473 61 35 5110 1 2.93 2.3705 12.956 61 35 5111 1 2.96 2.7150 12.560 61 35 5112 1 2.83 2.4901 12.232 61 35 5113 1 2.88 2.5153 12.617 61 35 5114 1 2.63 2.7227 12.716 61 35 5115 1 2.82 2.8487 12.408 61 35 5116 1 2.75 2.7584 12.662 61 35 5180 1 3.00 2.3796 12.907 61 35 5214 1 2.59 2.3736 12.646 61 35 5258 1 2.73 2.4812 12.693 61 35 5260 1 2.97 2.6859 12.690 61 35 5261 1 2.76 2.5571 12.571 61 35 5262 1 2.84 3.0244 12.638 61 35 5659 1 2.75 2.9219 12.290 61 35 5660 1 2.84 2.7541 12.445 61 35 5661 1 2.81 2.9513 12.421 61 35 5662 1 2.78 2.8787 12.396 61 35 5664 1 2.67 2.8806 12.528 61 35 5665 1 2.79 2.4098 12.326 61 35 5689 1 2.78 2.8056 12.295 61 35 5794 1 2.69 2.9077 12.608 61 35 5795 1 2.73 3.0718 12.901 61 35 5850 1 2.66 2.4271 12.741 61 35 5851 1 2.80 2.6273 12.440 61 35 6590 1 2.73 2.5681 12.544 61 35 6593 1 2.95 2.8596 12.626 61 35 6643 1 2.78 2.8776 13.302 61 35 6869 1 3.00 2.3125 12.324 61 35 6870 1 2.78 2.6631 12.721 61 35 6871 1 2.67 2.6159 12.377 61 35 6891 1 2.79 2.5260 12.922 61 35 6961 1 2.76 2.8029 12.106 ## Starting information for simulation # 36