# Bonding information for index 303 -- 0MA_14@O4 0MA_13@H4O 0MA_13@O4 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 303 2 9105 1 2.84 2.0382 12.404 303 2 9114 1 2.95 1.9787 12.696 303 2 9117 1 2.80 2.6116 12.294 303 2 9860 1 2.85 2.5464 12.287 303 2 9862 1 2.79 2.5275 12.432 303 2 9863 1 2.84 3.1337 12.723 303 2 9884 1 2.84 2.7991 11.413 303 2 9905 1 2.87 2.0929 10.576 303 2 9909 1 2.92 1.7559 11.424 303 2 9914 1 2.99 2.6547 11.832 303 2 9939 1 2.87 2.7880 11.846 ## Starting information for simulation # 3 303 3 184 1 2.83 2.1152 11.445 303 3 188 1 2.89 2.9236 11.742 303 3 189 1 2.79 2.7071 10.678 303 3 190 1 2.78 2.8616 10.883 303 3 191 1 2.66 2.6301 11.268 303 3 271 1 2.98 2.7439 10.760 303 3 272 1 2.96 2.8123 10.955 303 3 273 1 2.84 2.5915 11.813 303 3 274 1 2.81 2.3449 11.095 303 3 277 1 2.56 2.5544 11.909 303 3 300 1 2.99 2.1991 11.258 303 3 403 1 2.87 2.0128 11.640 303 3 405 1 2.93 2.3365 11.515 303 3 406 1 2.86 2.8191 10.783 303 3 407 1 2.91 2.4867 10.997 303 3 408 1 2.68 2.4630 11.323 303 3 900 1 3.00 2.0180 10.826 303 3 915 1 2.77 2.4307 10.303 303 3 942 1 2.92 2.3000 10.039 303 3 1168 1 2.80 2.6989 11.381 303 3 1507 1 2.84 2.5300 11.629 303 3 1508 1 2.76 2.4836 11.129 303 3 1509 1 2.74 2.7389 11.228 303 3 1511 1 2.87 2.9159 10.841 303 3 1513 1 2.73 2.6756 10.967 303 3 1514 1 2.94 2.2888 10.717 303 3 2324 1 2.72 2.8004 9.857 303 3 2328 1 2.71 2.3726 9.773 303 3 2329 1 2.62 2.8715 9.687 303 3 2330 1 2.80 2.8075 10.270 303 3 2331 1 2.63 2.7364 9.703 303 3 2340 1 2.78 2.9386 10.290 303 3 2347 1 2.71 2.3292 10.614 303 3 2363 1 2.97 1.7771 9.420 303 3 2416 1 2.84 2.7492 10.344 303 3 2426 1 2.91 3.0002 10.501 303 3 2477 1 2.99 2.5223 9.906 303 3 2912 1 2.75 2.4676 9.948 303 3 2913 1 2.84 2.7726 10.484 303 3 3246 1 2.78 2.6564 11.292 303 3 3252 1 2.94 1.7617 11.464 303 3 3264 1 2.64 2.9231 11.108 303 3 3265 1 2.97 2.5321 11.164 303 3 3266 1 2.73 2.8250 11.375 303 3 3267 1 2.76 2.8607 11.172 303 3 3271 1 2.60 2.7749 10.686 303 3 3273 1 2.86 2.8147 11.220 303 3 3275 1 2.65 2.7372 10.809 303 3 3279 1 2.80 2.7408 10.556 303 3 3296 1 2.99 1.7836 9.942 303 3 3454 1 2.86 2.7228 10.159 303 3 3458 1 2.91 2.4133 9.905 303 3 3459 1 2.85 2.5266 10.258 303 3 3460 1 2.88 2.7569 10.170 303 3 3468 1 2.90 2.3880 9.888 303 3 3469 1 2.85 2.6324 9.966 303 3 3472 1 2.78 2.5236 10.497 303 3 3473 1 2.76 2.5704 10.607 303 3 3475 1 2.73 2.4727 9.998 303 3 3476 1 2.75 2.7356 11.166 303 3 3479 1 2.92 1.8169 11.011 303 3 3487 1 2.92 2.2041 11.534 303 3 3589 1 2.76 3.0510 10.195 303 3 3590 1 2.69 2.9352 10.988 303 3 3617 1 2.72 2.6432 10.907 303 3 3618 1 2.67 2.6915 10.231 303 3 3619 1 2.88 2.8477 10.528 303 3 3627 1 2.69 2.3678 11.232 303 3 3746 1 2.68 2.6362 11.484 303 3 3747 1 2.72 2.7682 11.050 303 3 3748 1 2.96 2.0458 11.724 303 3 3869 1 2.74 3.0663 10.892 303 3 3875 1 2.97 1.9825 10.617 303 3 3876 1 2.65 2.9283 10.344 303 3 3877 1 2.74 2.8221 10.762 303 3 3878 1 2.90 2.7173 10.486 303 3 3895 1 2.90 2.0397 10.744 303 3 3910 1 2.80 2.7186 10.261 303 3 3911 1 2.99 2.2219 10.552 303 3 3916 1 2.77 2.9229 9.635 303 3 3919 1 2.98 1.9684 10.026 303 3 3938 1 2.77 2.8461 10.646 303 3 3939 1 2.63 2.7585 10.405 303 3 4036 1 2.92 1.8568 10.476 303 3 4050 1 2.97 2.7196 10.731 303 3 4051 1 2.99 2.8228 10.090 303 3 4052 1 2.79 3.0207 10.839 303 3 4069 1 2.92 2.0747 11.215 303 3 4102 1 2.77 2.6908 11.322 303 3 4779 1 2.90 2.5456 12.912 303 3 4785 1 2.86 2.4426 13.236 303 3 4789 1 2.75 2.5971 12.193 303 3 4790 1 2.83 2.5011 12.302 303 3 4791 1 2.73 2.5860 12.459 303 3 5462 1 2.98 2.7512 10.593 303 3 5474 1 2.75 2.3937 10.805 303 3 7688 1 2.62 2.6000 9.860 303 3 7689 1 2.82 2.7487 9.405 303 3 8191 1 2.95 2.9969 7.959 303 3 8198 1 3.00 2.6623 7.707 303 3 8226 1 2.95 2.4346 8.260 303 3 8227 1 3.00 2.0962 8.501 303 3 8325 1 2.76 2.5190 6.776 303 3 8326 1 2.83 2.5274 6.612 303 3 9100 1 2.66 3.0600 10.702 303 3 9130 1 2.65 2.4264 10.642 303 3 9132 1 2.79 2.6691 10.296 303 3 9134 1 2.93 2.0076 9.736 303 3 9860 1 2.62 2.6886 11.812 303 3 9861 1 2.97 2.3618 11.434 303 3 9879 1 2.87 2.0222 11.019 303 3 9894 1 2.88 2.0618 11.067 ## Starting information for simulation # 4 ## Starting information for simulation # 5 303 5 2188 1 2.94 2.3213 8.431 ## Starting information for simulation # 6 303 6 3190 1 2.99 1.8345 9.580 303 6 3804 1 2.85 2.5273 8.719 303 6 3805 1 2.76 2.6611 8.833 303 6 8433 1 2.93 1.7685 11.229 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 303 10 8541 1 2.66 2.6804 8.585 303 10 8629 1 2.87 2.6234 8.340 303 10 8630 1 2.81 2.5570 8.250 303 10 8631 1 2.94 2.5111 9.049 303 10 8632 1 2.91 2.8021 8.151 303 10 8888 1 2.77 2.4053 9.555 303 10 8891 1 2.79 2.8358 9.420 303 10 8892 1 2.85 2.3787 9.274 303 10 8893 1 2.79 2.8484 8.702 303 10 8894 1 2.64 2.5996 8.389 303 10 8895 1 2.88 2.3096 8.578 303 10 8896 1 2.82 2.3659 8.698 303 10 8906 1 2.94 2.6709 9.347 303 10 9020 1 2.84 2.6339 8.892 303 10 9854 1 2.88 2.3732 8.071 303 10 9855 1 2.95 2.8645 8.135 303 10 9895 1 2.66 2.6108 9.018 303 10 9896 1 2.74 2.6918 9.183 303 10 9897 1 2.95 2.5017 8.654 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 303 15 7592 1 2.99 1.9617 11.153 303 15 7596 1 2.89 2.1754 10.896 303 15 7597 1 2.88 2.4683 10.793 303 15 7598 1 2.56 2.5650 11.150 303 15 8067 1 2.90 1.8146 9.825 303 15 8079 1 2.69 2.3687 10.081 303 15 8080 1 2.87 2.4640 11.584 ## Starting information for simulation # 16 ## Starting information for simulation # 17 303 17 538 1 2.79 2.6557 11.088 303 17 539 1 2.79 2.4288 11.290 303 17 541 1 2.83 2.6220 11.321 303 17 545 1 3.00 1.8059 11.594 303 17 952 1 2.90 1.9594 11.149 303 17 955 1 3.00 2.2673 11.558 303 17 1022 1 2.91 2.6307 12.044 303 17 1027 1 2.76 2.5996 11.628 303 17 1034 1 2.92 2.9466 11.966 303 17 1035 1 2.71 3.0218 11.878 303 17 1036 1 2.77 3.0789 12.287 303 17 1037 1 2.68 2.6611 12.025 303 17 1038 1 2.60 2.7241 11.999 303 17 1068 1 2.99 2.3039 10.826 303 17 1086 1 2.68 2.9880 12.387 303 17 1087 1 2.85 2.4870 11.805 303 17 1256 1 2.96 1.8041 11.548 303 17 1257 1 2.81 2.2041 11.631 303 17 2310 1 2.83 2.3479 11.722 303 17 2887 1 2.83 2.5521 10.443 303 17 2889 1 2.70 2.2599 11.653 303 17 2890 1 2.85 2.6418 10.959 303 17 2891 1 2.94 2.7069 11.196 303 17 2892 1 2.76 2.7764 11.335 303 17 2893 1 2.66 2.8869 11.074 303 17 2895 1 2.93 2.5891 10.973 303 17 3344 1 2.98 2.5428 11.336 303 17 3350 1 2.86 2.5214 10.884 303 17 3404 1 2.83 2.0558 9.965 303 17 3639 1 2.84 2.3956 10.178 303 17 3640 1 2.79 2.6942 9.860 303 17 3641 1 2.81 2.6794 9.739 303 17 3642 1 2.83 2.4838 10.617 303 17 3643 1 2.92 2.8056 11.070 303 17 3645 1 2.79 2.5223 11.018 303 17 3647 1 2.67 2.5640 9.771 303 17 3657 1 2.76 2.5817 9.402 303 17 3663 1 2.91 2.6763 9.059 303 17 4334 1 2.99 2.0830 11.419 303 17 4335 1 2.85 2.4073 9.891 303 17 4336 1 2.82 2.1313 10.117 303 17 4337 1 2.84 2.4473 10.412 303 17 4339 1 2.91 2.2414 10.175 303 17 4340 1 2.94 2.6249 10.584 303 17 4341 1 2.71 2.5170 10.824 303 17 4342 1 2.92 2.1691 10.545 303 17 4344 1 2.84 2.7405 11.365 303 17 4346 1 2.84 2.5611 11.298 303 17 4360 1 2.71 2.6526 12.108 303 17 4363 1 2.78 2.7766 11.421 303 17 4414 1 2.89 2.4740 10.944 303 17 4418 1 2.92 2.5576 10.904 303 17 5084 1 2.93 2.8482 9.913 303 17 5087 1 2.91 2.9196 11.355 303 17 6478 1 2.98 2.4709 9.578 303 17 6479 1 2.78 2.3304 9.181 303 17 6598 1 2.64 2.3395 9.574 303 17 6600 1 2.85 2.4929 8.892 303 17 6603 1 2.67 2.4631 9.601 303 17 6606 1 2.77 2.6420 9.880 303 17 6653 1 2.98 2.3582 9.642 303 17 6654 1 2.66 2.5889 9.407 303 17 6656 1 2.70 2.8149 8.110 303 17 6657 1 2.66 2.6064 8.908 303 17 6681 1 2.89 1.8157 8.704 303 17 6740 1 2.94 1.9925 9.068 303 17 6743 1 2.79 2.5366 8.313 303 17 6744 1 3.00 1.8993 7.986 303 17 6747 1 2.69 2.2027 8.345 303 17 6748 1 2.79 2.7147 8.562 303 17 6749 1 2.72 2.7615 9.059 303 17 6750 1 2.69 2.7492 8.858 303 17 6752 1 2.64 2.7869 8.604 303 17 6753 1 2.75 2.8452 8.597 303 17 6756 1 2.80 2.6574 8.273 303 17 6758 1 2.61 2.7601 8.040 303 17 6762 1 2.74 2.3361 8.621 303 17 6764 1 2.88 2.5377 9.152 303 17 6765 1 2.67 2.7411 9.705 303 17 6898 1 2.92 2.6257 7.843 303 17 6899 1 2.95 2.4255 8.019 303 17 6905 1 2.74 2.5708 7.992 303 17 6913 1 2.76 2.7563 7.113 303 17 6945 1 2.73 2.5705 6.788 303 17 6947 1 2.89 2.8068 6.878 303 17 6960 1 2.92 2.3532 7.063 303 17 7042 1 2.91 1.9039 7.075 303 17 7044 1 2.86 1.9950 7.677 303 17 7053 1 2.62 2.9008 7.124 303 17 7054 1 2.82 2.6884 7.320 303 17 7353 1 2.99 1.9332 8.547 303 17 7371 1 2.85 2.5891 8.521 303 17 7372 1 2.66 2.4407 9.063 303 17 8060 1 2.85 2.7416 12.377 303 17 8061 1 2.69 2.8507 12.119 303 17 8062 1 2.58 2.8224 11.981 303 17 8063 1 2.73 3.0351 12.041 303 17 8064 1 2.75 2.3146 12.128 303 17 8076 1 2.66 3.0434 11.013 303 17 8077 1 2.96 3.0448 11.830 303 17 8078 1 2.97 2.6199 11.986 303 17 8079 1 2.74 2.9270 12.215 303 17 8080 1 2.86 2.5238 11.691 303 17 8082 1 2.97 2.2231 11.675 303 17 8085 1 2.74 2.4182 12.882 303 17 8086 1 2.75 2.3868 12.380 303 17 8203 1 2.86 2.5585 12.588 303 17 8226 1 2.83 2.2974 12.499 303 17 8287 1 2.79 2.8854 11.874 303 17 8348 1 2.94 1.9654 12.985 303 17 8713 1 2.87 2.0230 11.508 303 17 8782 1 2.85 2.6228 12.321 303 17 8783 1 2.79 2.7570 12.406 303 17 8792 1 2.76 2.5152 12.197 303 17 8793 1 2.71 2.6734 12.721 303 17 8794 1 2.85 2.7472 12.370 303 17 9006 1 2.98 2.4207 11.719 303 17 9038 1 2.85 2.2016 12.858 303 17 9098 1 2.70 2.3215 12.123 303 17 9193 1 2.90 2.5558 13.008 303 17 9194 1 2.85 1.7806 12.128 303 17 9195 1 2.81 2.1353 12.642 ## 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 # 25 303 25 8817 1 2.93 2.0105 12.552 303 25 9621 1 2.82 2.5432 10.722 303 25 9622 1 2.85 2.5256 10.514 303 25 9623 1 2.90 2.4225 11.205 303 25 9627 1 2.97 2.7585 10.985 303 25 9638 1 2.77 2.0313 10.444 303 25 9641 1 2.87 2.2264 10.586 303 25 9657 1 2.83 1.7519 11.133 303 25 9800 1 2.89 1.8786 10.540 303 25 9821 1 2.85 2.0381 11.155 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 303 28 9898 1 2.88 2.8437 11.770 303 28 9914 1 2.84 2.0882 10.619 303 28 9917 1 2.58 2.9742 11.605 ## Starting information for simulation # 29 ## Starting information for simulation # 30 303 30 8734 1 2.95 2.7521 8.815 303 30 8736 1 2.99 2.5991 8.103 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 303 35 8692 1 2.86 1.8735 12.734 303 35 8693 1 2.82 2.7105 12.580 ## Starting information for simulation # 36