# Bonding information for index 477 -- 0MA_15@O6 0MA_14@H3O 0MA_14@O3 # Index Sim # Frame Type Length Angle N-N dist ## Starting information for simulation # 1 ## Starting information for simulation # 2 477 2 3244 1 2.88 2.9216 9.135 477 2 3245 1 2.77 3.0310 8.973 477 2 3247 1 2.99 2.5907 8.924 477 2 3248 1 2.79 3.0846 8.468 477 2 3250 1 2.68 2.7976 8.153 477 2 3251 1 2.71 2.8808 8.385 477 2 3252 1 2.82 3.1008 8.500 ## Starting information for simulation # 3 477 3 7860 1 2.90 2.7270 8.818 477 3 7867 1 2.78 2.6655 8.711 477 3 8180 1 2.85 2.6777 7.695 ## Starting information for simulation # 4 ## Starting information for simulation # 5 477 5 7242 1 2.90 3.1233 10.886 477 5 7244 1 2.75 2.0796 10.829 477 5 7245 1 2.72 2.9323 11.495 477 5 7246 1 2.64 2.6932 11.091 477 5 7248 1 2.70 3.0682 10.857 477 5 7249 1 2.79 2.7401 11.096 477 5 7250 1 2.72 2.8393 10.238 477 5 7251 1 2.77 2.5248 10.797 477 5 7252 1 2.88 2.6778 11.061 477 5 7253 1 2.76 2.5121 11.346 477 5 7254 1 2.83 2.5592 11.410 477 5 7285 1 2.66 2.9072 10.224 477 5 7286 1 2.69 2.5699 10.692 477 5 7679 1 2.70 2.9604 9.284 477 5 7680 1 2.79 2.4005 9.996 477 5 7681 1 2.61 2.7632 9.442 477 5 7683 1 2.68 2.7780 9.488 477 5 7734 1 2.61 3.0184 11.272 477 5 7735 1 2.78 2.8932 10.782 477 5 7736 1 2.73 2.5774 11.673 477 5 7748 1 2.99 2.2205 9.696 477 5 7749 1 2.90 2.9391 10.123 477 5 7750 1 2.73 2.7698 11.596 477 5 7751 1 2.69 2.5165 10.400 477 5 8146 1 2.80 2.7499 11.090 477 5 8147 1 2.95 2.7852 11.330 477 5 8148 1 2.96 2.4234 10.980 477 5 8149 1 2.97 3.0307 11.649 477 5 8166 1 2.74 2.9620 11.652 477 5 8167 1 2.86 2.7256 11.335 477 5 9080 1 2.71 2.4086 10.076 477 5 9103 1 2.83 2.4542 9.270 477 5 9104 1 2.79 2.7594 9.424 477 5 9794 1 2.95 2.0256 9.190 ## Starting information for simulation # 6 477 6 6057 1 2.83 3.0258 9.134 477 6 6058 1 2.91 2.8276 9.286 477 6 6059 1 2.69 2.7427 8.888 477 6 6722 1 2.86 1.7820 9.773 477 6 6740 1 2.94 2.0813 9.447 477 6 6919 1 2.98 1.8688 9.715 477 6 7622 1 2.64 2.9552 8.254 477 6 7628 1 2.96 1.8561 8.576 ## Starting information for simulation # 7 477 7 1844 1 2.79 2.3027 9.707 477 7 1845 1 2.74 2.9273 9.841 477 7 3357 1 2.75 2.7937 12.181 477 7 4298 1 2.85 2.3805 12.917 477 7 4304 1 2.76 2.6330 12.509 477 7 4327 1 2.79 2.8492 12.021 477 7 4337 1 2.97 2.3308 11.995 477 7 4338 1 2.77 3.1361 11.947 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 477 11 9509 1 2.95 2.7583 8.849 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 477 14 4879 1 2.97 1.8966 8.130 477 14 4880 1 2.62 2.8431 8.376 477 14 4881 1 2.81 3.1073 8.538 477 14 5846 1 2.81 2.7677 6.786 477 14 5876 1 2.97 2.1934 8.828 477 14 5884 1 2.95 2.3544 8.301 477 14 6463 1 2.91 2.6921 7.606 477 14 6473 1 2.82 2.5951 6.808 477 14 6572 1 2.67 2.9125 6.411 477 14 6693 1 2.90 1.8472 5.735 477 14 6694 1 2.69 2.6895 6.368 477 14 6697 1 2.87 2.7886 6.550 477 14 6734 1 2.83 2.3617 7.105 477 14 6827 1 2.85 2.7239 7.594 477 14 6831 1 2.81 2.9043 7.814 477 14 6832 1 2.69 2.4897 7.657 477 14 6867 1 2.99 1.7498 8.633 477 14 7347 1 3.00 1.9762 5.962 477 14 7990 1 2.97 2.6243 6.559 477 14 8039 1 2.92 2.6010 6.317 477 14 8424 1 2.99 2.4958 6.803 477 14 8639 1 2.83 2.4265 6.124 477 14 8660 1 2.67 2.6460 5.772 477 14 8663 1 2.89 2.6423 5.651 477 14 8666 1 2.95 2.7278 5.719 477 14 8676 1 2.75 2.7280 5.813 477 14 8883 1 2.61 2.6734 9.151 477 14 8886 1 2.90 1.7455 9.599 477 14 9560 1 2.86 2.1029 9.633 ## Starting information for simulation # 15 477 15 3422 1 2.64 2.6747 10.618 477 15 3424 1 2.73 2.8052 10.861 ## Starting information for simulation # 16 477 16 1915 1 2.99 2.5938 6.824 477 16 1982 1 2.99 2.4169 6.877 477 16 2026 1 2.64 2.6516 6.903 477 16 2384 1 2.79 2.8201 6.585 477 16 2389 1 2.68 2.7699 6.450 477 16 2391 1 2.80 2.5126 6.489 477 16 2413 1 2.90 2.5930 6.505 477 16 2418 1 2.83 2.5529 6.378 477 16 2419 1 2.71 2.4105 6.648 477 16 2420 1 2.81 2.5049 6.576 477 16 2485 1 2.96 1.8476 6.751 477 16 2495 1 2.87 2.4487 6.160 477 16 2529 1 2.93 2.4970 6.399 477 16 2595 1 2.87 2.5358 6.819 477 16 2596 1 2.96 2.9695 6.681 477 16 2698 1 2.98 2.5302 6.318 477 16 2701 1 2.91 2.5331 6.464 477 16 2702 1 2.91 2.8814 6.140 477 16 2703 1 2.80 2.4319 6.160 477 16 2704 1 2.69 2.5003 6.329 477 16 2710 1 2.69 2.8736 6.081 477 16 2752 1 2.83 2.0920 6.882 477 16 2753 1 2.66 2.7593 6.653 477 16 2782 1 2.99 2.3271 6.353 477 16 2785 1 2.72 2.2676 6.317 477 16 3103 1 2.96 2.8219 6.518 477 16 3119 1 2.98 2.6417 6.413 477 16 3121 1 2.95 1.9006 6.110 477 16 3123 1 2.92 2.0340 6.384 477 16 3128 1 2.69 2.7878 6.540 477 16 3304 1 2.83 1.7830 6.423 477 16 3305 1 2.92 1.9242 6.523 477 16 3360 1 2.77 2.6285 6.128 477 16 3361 1 2.73 2.8950 6.135 477 16 3415 1 2.99 2.0912 6.444 477 16 3576 1 2.79 2.8190 8.665 477 16 3580 1 2.84 2.6374 8.846 477 16 3586 1 2.83 2.0658 9.097 477 16 3589 1 2.95 1.7867 9.151 477 16 3595 1 2.87 1.9151 8.967 477 16 3597 1 2.64 2.9600 8.889 477 16 3602 1 2.88 2.4357 9.040 477 16 5660 1 2.96 2.6066 8.216 477 16 5736 1 2.95 2.3769 8.105 477 16 5870 1 2.81 2.7843 7.941 477 16 5935 1 2.81 2.2001 8.617 477 16 5936 1 2.70 2.9221 8.850 477 16 5937 1 2.69 2.8750 9.017 477 16 5938 1 2.88 2.1731 8.219 477 16 5946 1 2.79 2.6611 8.253 477 16 6366 1 2.92 2.7932 6.641 477 16 6494 1 2.79 2.5295 6.560 477 16 6559 1 2.83 2.5405 7.467 477 16 6561 1 2.88 3.0094 7.824 477 16 6562 1 2.69 2.7279 7.443 477 16 6563 1 2.96 2.7054 8.011 477 16 6574 1 2.89 2.5358 7.516 477 16 6575 1 2.92 2.7119 7.898 477 16 6584 1 2.97 2.1961 8.236 477 16 6585 1 2.89 2.3698 8.480 477 16 6630 1 2.88 2.8411 6.558 477 16 6633 1 2.79 1.7940 7.668 477 16 6634 1 2.64 3.0123 7.714 477 16 6635 1 2.89 2.7944 7.115 477 16 6644 1 2.94 2.2950 8.460 477 16 6649 1 2.74 3.0239 8.594 477 16 6651 1 2.81 2.5733 8.534 477 16 6652 1 2.65 3.0403 8.089 477 16 6655 1 2.72 2.8778 7.884 477 16 6656 1 2.88 2.7174 8.411 477 16 6657 1 2.85 2.8913 8.502 477 16 6658 1 2.89 2.8415 8.442 477 16 6659 1 2.68 3.0486 8.248 477 16 6660 1 2.63 2.8079 8.576 477 16 6663 1 2.93 1.8593 8.453 477 16 6671 1 2.77 2.9267 8.326 477 16 6672 1 2.82 2.5424 8.377 477 16 6673 1 2.95 2.8636 8.299 477 16 6674 1 2.77 2.7756 8.165 477 16 6675 1 2.98 2.5437 8.076 477 16 6677 1 2.66 2.9064 7.988 477 16 6682 1 2.67 2.6861 7.975 477 16 6683 1 2.82 2.8444 7.702 477 16 6684 1 2.80 2.5909 7.677 477 16 6685 1 2.97 2.2774 7.878 477 16 6686 1 2.95 2.6048 7.772 477 16 6690 1 2.73 2.0471 8.523 477 16 6696 1 2.71 2.9036 8.483 477 16 6697 1 2.90 2.8150 8.584 477 16 6699 1 2.89 2.7483 8.195 477 16 6700 1 2.64 2.7774 8.600 477 16 6702 1 2.78 2.6096 8.328 477 16 6703 1 2.83 2.8056 8.468 477 16 6704 1 2.95 2.4608 8.633 477 16 6768 1 2.89 1.8751 8.364 477 16 7150 1 2.75 2.5851 6.620 477 16 7156 1 2.83 2.8002 6.556 477 16 7158 1 2.77 2.5101 6.394 477 16 7159 1 2.93 2.4534 6.850 477 16 7179 1 2.97 1.8531 6.644 477 16 7180 1 2.68 2.3567 6.241 477 16 7224 1 2.92 2.6895 6.583 477 16 7234 1 2.97 2.0336 6.823 477 16 7235 1 2.98 2.0537 6.726 477 16 7299 1 2.84 2.7929 6.489 477 16 7402 1 2.58 2.8812 6.477 477 16 7403 1 2.91 2.6328 6.760 477 16 7411 1 2.73 2.7387 6.334 477 16 7412 1 2.75 2.8739 6.418 477 16 7445 1 2.89 2.3692 6.608 477 16 7447 1 2.90 2.8450 6.402 477 16 7454 1 2.81 2.8891 6.543 477 16 7487 1 2.99 2.8014 7.098 477 16 7564 1 2.64 2.6375 7.028 477 16 7567 1 2.72 2.5280 6.660 477 16 7643 1 2.82 2.4994 6.354 477 16 7654 1 2.60 3.0034 6.343 477 16 7706 1 2.96 2.0216 6.379 477 16 7721 1 2.75 2.7344 6.093 477 16 7825 1 2.98 2.2341 6.586 477 16 7881 1 2.81 2.1370 6.709 477 16 7921 1 2.86 1.8395 6.753 477 16 7922 1 2.82 2.8811 6.325 ## Starting information for simulation # 17 477 17 3065 1 2.87 2.4380 10.847 477 17 3866 1 2.76 2.8195 12.165 477 17 3874 1 2.73 2.9150 11.800 477 17 3875 1 2.81 3.0154 12.315 477 17 3902 1 2.71 2.4211 12.199 477 17 3923 1 2.74 2.5466 12.558 477 17 4344 1 2.82 2.8586 11.365 477 17 4374 1 2.97 1.8366 11.406 477 17 4375 1 2.79 2.7706 12.071 477 17 4548 1 2.79 2.5320 11.284 477 17 6108 1 2.74 3.1028 11.232 477 17 6596 1 2.68 2.5739 9.023 477 17 6597 1 2.96 2.0701 9.004 ## Starting information for simulation # 18 ## Starting information for simulation # 19 477 19 6103 1 2.84 2.4436 8.106 477 19 6137 1 2.82 2.8096 9.281 477 19 6139 1 2.73 2.8833 8.454 477 19 6164 1 2.95 2.8907 7.846 477 19 6165 1 2.75 3.0461 8.280 477 19 6166 1 2.72 2.4905 8.083 477 19 6168 1 2.78 2.8610 7.795 477 19 6169 1 2.83 2.0965 7.922 477 19 6170 1 2.90 2.9547 8.761 477 19 6171 1 2.72 3.0162 8.007 477 19 6172 1 2.78 2.6258 8.852 477 19 6173 1 2.80 2.7008 8.222 477 19 6175 1 2.74 2.6636 8.485 477 19 6176 1 2.90 2.7197 7.993 477 19 6178 1 2.81 2.6942 8.677 477 19 6179 1 2.81 3.0242 8.237 477 19 6180 1 2.71 2.8282 7.990 477 19 6181 1 2.75 2.3940 8.670 477 19 6248 1 2.94 2.6255 7.503 477 19 6253 1 2.99 2.9233 7.658 477 19 6268 1 2.93 2.7599 7.557 477 19 7072 1 2.80 2.1425 9.932 477 19 7076 1 2.74 2.4212 11.168 477 19 7697 1 2.97 1.7953 7.844 477 19 7732 1 2.85 2.5476 6.565 477 19 7737 1 2.87 2.8853 7.645 477 19 7741 1 2.90 2.5112 6.389 477 19 7800 1 2.90 2.2344 7.071 477 19 8699 1 2.76 2.8951 12.628 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 477 22 9873 1 2.97 3.0404 12.538 ## Starting information for simulation # 23 477 23 4647 1 2.79 2.6723 11.051 ## 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 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 477 33 8083 1 2.69 2.8897 10.014 477 33 8084 1 2.84 2.4957 10.043 ## Starting information for simulation # 34 477 34 9109 1 2.83 2.0913 11.538 477 34 9110 1 2.80 3.0588 10.790 477 34 9111 1 2.75 2.9943 11.996 477 34 9116 1 2.65 2.8388 11.995 477 34 9814 1 2.68 2.7336 12.997 ## Starting information for simulation # 35 ## Starting information for simulation # 36 477 36 573 1 2.86 2.0076 7.930 477 36 668 1 2.79 2.5253 8.247 477 36 674 1 2.83 2.8280 8.429 477 36 685 1 2.87 2.6496 8.521 477 36 687 1 2.71 2.4042 8.126 477 36 688 1 2.76 2.4812 8.234 477 36 689 1 2.93 2.4762 8.360 477 36 691 1 2.82 2.8066 7.986 477 36 692 1 2.69 2.6429 8.672 477 36 706 1 2.78 2.1282 8.912 477 36 707 1 2.66 2.8149 9.506 477 36 711 1 2.98 1.7982 8.910 477 36 1012 1 2.85 2.2180 9.183 477 36 1013 1 2.87 2.2417 9.732 477 36 1025 1 2.98 2.4681 8.933 477 36 1026 1 2.58 2.3705 8.087 477 36 1205 1 2.58 2.4101 8.424 477 36 1215 1 2.88 2.6935 8.293 477 36 1216 1 2.74 2.7091 8.952 477 36 1219 1 2.97 2.4859 9.025 477 36 1220 1 2.92 2.3894 9.271 477 36 1223 1 2.76 2.8146 7.619 477 36 1239 1 2.83 2.7890 8.898 477 36 1276 1 2.72 2.7558 8.392 477 36 1291 1 2.74 2.2834 8.976 477 36 1305 1 2.73 2.4664 8.905 477 36 1307 1 2.81 2.5312 8.237 477 36 1311 1 2.80 2.5136 7.852 477 36 1319 1 2.87 3.0916 8.164 477 36 1327 1 2.82 1.7482 8.434 477 36 1344 1 2.75 2.6674 8.565 477 36 1532 1 2.67 2.8857 8.927 477 36 1533 1 2.86 2.4618 9.301 477 36 1535 1 2.75 2.8212 9.747 477 36 2643 1 2.70 2.9624 10.405