# Bonding information for index 508 -- ACE_1@O 0MA_15@H6O 0MA_15@O6 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 ## Starting information for simulation # 3 ## Starting information for simulation # 4 508 4 4886 2 2.64 2.5923 10.765 508 4 4899 2 2.92 1.9985 10.555 508 4 5004 2 2.81 2.4390 9.935 508 4 5006 2 2.98 2.3028 9.385 508 4 5007 2 2.80 2.8641 9.324 508 4 5008 2 2.66 2.5859 9.759 508 4 5010 2 2.70 2.6611 9.453 508 4 5011 2 2.73 2.1273 9.446 508 4 5012 2 2.91 2.7345 10.206 508 4 5013 2 2.70 2.4701 10.207 508 4 5014 2 2.89 2.6429 9.528 508 4 5015 2 2.81 2.4793 10.002 508 4 5016 2 2.79 2.2206 9.958 508 4 5017 2 2.67 2.5533 10.036 508 4 5033 2 2.73 2.5715 10.288 508 4 5034 2 2.64 2.8865 10.434 508 4 5035 2 2.72 2.0737 9.513 508 4 5036 2 2.91 2.2545 9.841 508 4 5037 2 2.74 2.6341 9.243 508 4 5038 2 2.67 2.7730 9.485 508 4 5039 2 2.73 2.8378 9.426 508 4 5040 2 2.92 2.1388 9.424 508 4 5041 2 2.65 2.9707 10.382 508 4 5042 2 2.79 2.5251 10.725 508 4 5043 2 2.68 2.7122 10.550 508 4 5044 2 2.73 2.6595 10.725 508 4 5045 2 2.75 2.7573 10.363 ## Starting information for simulation # 5 ## Starting information for simulation # 6 508 6 5270 2 2.99 2.6383 9.331 508 6 5311 2 2.93 2.4913 9.510 508 6 5312 2 2.95 2.3693 9.300 508 6 5830 2 2.62 2.3823 9.266 508 6 5831 2 2.60 2.8286 9.514 508 6 5832 2 2.76 2.6568 9.684 508 6 5833 2 2.84 2.6480 9.625 508 6 5835 2 2.61 2.7857 9.559 508 6 5839 2 2.73 2.7116 9.857 508 6 5845 2 2.84 2.2295 8.890 508 6 5846 2 2.68 2.8503 9.522 508 6 5847 2 2.61 2.8863 9.460 508 6 5848 2 2.86 2.8208 9.234 508 6 5892 2 2.87 1.7664 9.598 508 6 5897 2 2.76 2.8200 9.978 508 6 5912 2 2.80 2.9902 9.291 508 6 5913 2 2.90 2.3658 9.408 508 6 5914 2 2.73 2.7532 9.154 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 508 10 9851 2 2.65 2.8099 9.472 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 508 15 492 2 2.81 2.5828 11.238 ## Starting information for simulation # 16 ## Starting information for simulation # 17 508 17 822 2 2.85 3.0546 10.526 508 17 823 2 2.87 2.4834 10.641 508 17 824 2 2.67 2.6975 10.791 508 17 825 2 2.53 2.9544 9.668 508 17 826 2 2.68 2.7133 10.174 508 17 827 2 2.71 3.0117 10.471 508 17 828 2 2.80 2.3313 10.490 508 17 829 2 2.67 2.5186 10.297 508 17 830 2 2.90 2.7775 10.593 508 17 831 2 2.84 2.9248 9.638 508 17 832 2 2.44 2.5557 10.550 508 17 833 2 2.69 2.8652 10.727 508 17 834 2 2.85 3.0903 10.406 508 17 837 2 2.63 2.7378 10.795 508 17 839 2 2.94 2.9621 10.565 508 17 841 2 2.95 2.7141 10.152 508 17 842 2 2.66 2.6491 10.158 508 17 843 2 2.56 2.8038 9.916 508 17 845 2 2.68 2.7601 10.247 508 17 846 2 2.74 2.3980 9.942 508 17 847 2 2.82 3.0379 9.643 508 17 848 2 2.71 3.0412 10.168 508 17 849 2 2.78 2.9325 9.927 508 17 853 2 2.82 2.3887 10.622 508 17 854 2 2.71 2.5666 10.550 508 17 855 2 2.90 2.5622 10.475 ## Starting information for simulation # 18 ## Starting information for simulation # 19 508 19 6139 2 2.77 2.9700 8.454 508 19 6153 2 2.78 2.7355 8.240 508 19 6154 2 2.81 2.8382 8.132 508 19 6166 2 2.73 2.6905 8.083 508 19 6167 2 2.83 2.9581 8.203 508 19 6168 2 2.88 2.8317 7.795 508 19 6169 2 2.94 2.4396 7.922 508 19 6170 2 2.76 2.6552 8.761 508 19 6171 2 2.97 3.0394 8.007 508 19 6173 2 2.84 2.4543 8.222 508 19 6174 2 2.93 2.7761 8.691 508 19 6175 2 2.78 2.7858 8.485 508 19 6176 2 2.57 2.7731 7.993 508 19 6177 2 2.69 2.8218 8.125 508 19 6178 2 2.66 2.7792 8.677 508 19 6179 2 2.58 2.6997 8.237 ## Starting information for simulation # 20 508 20 6364 2 2.90 2.7351 7.757 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 508 24 2185 2 2.92 2.7474 10.442 ## Starting information for simulation # 25 ## Starting information for simulation # 26 508 26 7554 2 2.96 2.3735 10.368 ## Starting information for simulation # 27 ## Starting information for simulation # 28 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 508 33 8137 2 2.81 2.9812 9.092 508 33 8149 2 3.00 2.5671 9.201 508 33 8151 2 2.95 2.7953 9.359 508 33 8236 2 2.78 3.0690 8.857 508 33 8238 2 2.84 2.6610 9.386 508 33 8250 2 2.84 2.8336 9.253 508 33 8255 2 2.83 2.9140 9.279 508 33 8258 2 2.87 2.4645 8.921 508 33 8301 2 2.94 1.8339 8.911 508 33 8308 2 2.91 1.9427 8.947 508 33 8310 2 2.84 2.4340 8.499 508 33 8318 2 2.82 2.3018 8.750 508 33 8348 2 2.76 1.7880 8.696 508 33 8350 2 2.96 1.9999 8.616 508 33 8386 2 2.76 2.7595 9.636 508 33 8387 2 2.66 2.7267 9.309 508 33 8388 2 2.82 2.7801 9.185 508 33 8389 2 2.96 2.4201 9.414 508 33 8390 2 2.55 3.0507 9.638 508 33 8391 2 2.91 2.6953 9.072 508 33 8396 2 2.93 2.3170 9.480 508 33 8397 2 2.95 2.5004 9.179 508 33 8398 2 2.97 2.6604 9.079 508 33 8399 2 2.81 2.4523 9.099 508 33 8400 2 2.76 2.9656 9.406 508 33 8415 2 2.82 3.0236 9.196 508 33 8416 2 2.71 2.9887 9.137 508 33 8417 2 2.75 2.8453 9.303 508 33 8418 2 2.64 2.6808 9.499 508 33 8472 2 2.58 2.8526 9.512 508 33 8473 2 2.63 2.9905 9.254 508 33 8474 2 2.57 2.6088 8.982 508 33 8475 2 2.67 2.6746 9.008 508 33 8476 2 2.72 2.9666 9.268 508 33 8479 2 2.81 2.3738 8.641 508 33 8619 2 2.82 2.9669 8.814 508 33 8639 2 2.85 2.8976 9.342 508 33 8640 2 2.87 2.9404 8.800 508 33 8641 2 2.78 2.7564 9.241 508 33 8643 2 2.66 2.8053 9.232 508 33 8645 2 2.83 2.8883 8.984 508 33 8646 2 2.89 2.6807 8.666 508 33 8647 2 2.83 2.7988 8.990 508 33 8653 2 2.96 2.4805 9.072 508 33 8683 2 2.83 2.4806 8.921 508 33 8699 2 2.67 3.0957 9.230 508 33 8856 2 2.71 2.8854 9.010 508 33 8857 2 2.77 2.9822 9.638 508 33 8863 2 2.74 2.7910 8.954 508 33 8874 2 2.78 2.5088 8.681 508 33 8879 2 2.69 2.7181 9.067 508 33 8953 2 2.70 2.7995 9.165 508 33 8964 2 2.80 2.9946 9.440 508 33 9020 2 2.77 2.3966 9.202 508 33 9025 2 2.98 1.8802 9.386 508 33 9052 2 2.97 2.7026 9.278 508 33 9057 2 2.73 3.0006 9.609 508 33 9095 2 2.59 2.9738 8.952 508 33 9111 2 2.77 2.8643 9.461 508 33 9112 2 2.65 2.9985 9.287 508 33 9118 2 2.91 2.9975 9.116 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36 508 36 1532 2 2.75 2.8640 8.927