# Bonding information for index 447 -- 0MA_15@O5 0MA_12@H6O 0MA_12@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 ## Starting information for simulation # 5 447 5 19 1 2.94 1.8109 10.849 447 5 57 1 2.78 2.6358 11.206 447 5 79 1 2.92 2.3450 10.567 ## Starting information for simulation # 6 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 447 9 1270 1 2.81 2.8840 11.695 447 9 1313 1 2.89 2.6754 11.899 447 9 1314 1 2.74 2.8158 11.808 447 9 1316 1 2.94 2.4589 12.047 447 9 1317 1 2.67 2.5027 12.306 447 9 1494 1 2.58 2.8155 11.836 447 9 1496 1 2.89 2.5400 11.563 447 9 1499 1 2.84 2.2067 10.360 447 9 1502 1 2.86 2.9353 10.828 447 9 1676 1 2.78 2.0831 11.367 447 9 1677 1 2.98 2.2638 11.438 447 9 1680 1 2.80 2.6572 11.810 447 9 1687 1 2.64 2.6750 11.116 447 9 1691 1 2.93 2.7426 11.807 447 9 1699 1 2.89 2.9119 11.822 447 9 1700 1 2.82 2.8363 12.106 447 9 1708 1 2.91 2.1432 11.910 447 9 1709 1 2.99 2.4965 11.584 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 447 13 1180 1 2.65 2.8333 11.752 447 13 1181 1 2.63 2.8939 11.565 447 13 1182 1 2.76 3.0513 11.378 447 13 1183 1 2.84 2.7485 11.543 447 13 2755 1 2.87 2.5464 11.728 447 13 2815 1 2.90 2.0130 11.579 447 13 2851 1 2.87 3.0123 11.532 447 13 2853 1 2.60 2.8619 11.513 447 13 2854 1 2.83 2.7037 11.675 447 13 2856 1 2.99 2.7676 11.213 447 13 2858 1 2.70 2.5527 11.372 447 13 2859 1 2.85 2.3790 11.579 447 13 2860 1 2.69 2.6609 11.363 447 13 2863 1 2.90 2.6717 11.315 447 13 2866 1 2.98 1.8907 10.884 447 13 2867 1 2.77 2.7823 11.068 447 13 2868 1 2.95 2.6547 11.341 447 13 2869 1 2.70 2.7803 11.209 447 13 2870 1 2.78 2.8173 11.167 447 13 2955 1 2.65 2.4156 12.137 447 13 2956 1 2.61 2.8673 11.804 447 13 2957 1 2.96 3.0002 11.683 447 13 2958 1 2.88 2.8947 11.312 447 13 2961 1 2.76 2.6629 11.428 447 13 2965 1 2.86 2.6555 11.572 447 13 2985 1 2.90 2.8056 11.352 447 13 2987 1 2.69 2.6183 11.447 447 13 2991 1 2.89 2.6577 11.690 447 13 2992 1 2.68 2.9626 11.793 447 13 2993 1 2.84 2.5910 11.874 447 13 2994 1 2.78 2.5254 11.297 447 13 2996 1 2.76 2.8849 11.557 447 13 2997 1 2.94 2.6275 11.593 447 13 2999 1 2.86 2.8724 11.593 447 13 3000 1 2.94 3.0524 11.451 447 13 3001 1 2.69 2.4260 11.339 447 13 3002 1 2.84 2.6067 11.437 447 13 3003 1 2.83 2.8021 11.480 447 13 3004 1 2.96 2.8068 11.543 447 13 3005 1 2.91 2.9140 11.436 447 13 3200 1 3.00 2.6011 11.658 447 13 3209 1 2.98 2.6942 11.385 447 13 3211 1 2.99 3.0246 11.104 447 13 3238 1 2.62 2.8356 11.718 447 13 3239 1 2.83 2.5250 12.082 447 13 3265 1 2.82 1.9524 11.443 447 13 3266 1 2.81 2.7337 11.918 447 13 3267 1 2.87 2.3255 11.520 447 13 3268 1 2.85 2.3119 11.526 447 13 3269 1 2.72 2.2044 11.525 447 13 3270 1 2.81 2.6176 11.842 447 13 3271 1 2.70 2.5922 11.436 447 13 3272 1 2.70 3.0531 11.418 447 13 3277 1 2.65 2.2608 11.314 447 13 3278 1 2.81 2.7629 11.793 447 13 3279 1 2.86 2.4450 11.412 447 13 3281 1 2.86 2.1347 11.941 447 13 3282 1 2.85 2.4445 11.152 447 13 3283 1 2.90 2.8338 11.816 447 13 3285 1 2.85 2.1764 11.859 447 13 3293 1 2.96 2.6287 11.257 447 13 3301 1 2.76 2.5826 11.531 447 13 3312 1 2.80 2.8152 12.038 447 13 3315 1 2.92 2.6668 11.600 447 13 3317 1 2.67 1.9560 11.367 447 13 3323 1 2.72 2.4988 11.750 447 13 3325 1 2.78 2.8013 11.504 447 13 3326 1 2.83 2.7872 10.932 447 13 3327 1 2.80 2.9997 11.719 447 13 3329 1 2.92 2.5757 12.055 447 13 3452 1 2.90 2.5047 11.397 447 13 4264 1 2.83 2.9856 11.786 447 13 4266 1 2.92 2.0648 11.814 447 13 4268 1 2.60 2.9223 11.553 447 13 4563 1 2.95 2.5049 11.594 447 13 4751 1 2.82 2.0074 11.446 447 13 4753 1 2.64 2.9229 11.931 447 13 4756 1 2.77 2.8644 11.487 447 13 4757 1 2.71 3.0241 11.157 447 13 4758 1 2.64 2.8426 11.088 447 13 4763 1 2.94 2.4268 11.133 447 13 4764 1 2.75 2.5052 11.193 447 13 4765 1 2.84 2.7153 11.574 447 13 4767 1 2.79 3.0591 11.466 447 13 4771 1 2.91 2.2578 11.706 447 13 4773 1 2.73 2.7898 11.559 447 13 4774 1 2.85 2.6973 10.908 447 13 4776 1 2.79 2.6138 11.554 447 13 4779 1 2.88 2.9025 11.342 ## Starting information for simulation # 14 447 14 9920 1 2.89 2.2741 9.586 447 14 9922 1 2.78 2.6383 9.487 447 14 9923 1 2.67 2.7392 9.710 447 14 9935 1 2.91 2.6990 9.864 447 14 9936 1 2.77 2.4503 9.662 447 14 9937 1 2.91 2.9251 9.555 447 14 9938 1 2.92 2.6770 9.594 447 14 9939 1 2.72 2.5213 9.593 447 14 9940 1 2.79 2.9348 9.455 447 14 9941 1 2.90 2.8091 9.643 447 14 9942 1 2.75 2.7879 9.597 ## Starting information for simulation # 15 ## Starting information for simulation # 16 447 16 5499 1 2.65 2.4068 8.528 447 16 5510 1 2.81 2.9206 8.020 447 16 5511 1 3.00 2.8394 8.301 ## Starting information for simulation # 17 447 17 8200 1 2.69 2.1191 11.988 447 17 8201 1 2.86 2.1716 11.901 447 17 8205 1 2.82 2.1294 12.327 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 447 21 3284 1 2.86 1.8143 8.413 447 21 3286 1 2.78 2.2473 8.164 447 21 3290 1 2.58 2.8765 7.915 447 21 3296 1 2.85 3.0303 8.182 447 21 3327 1 2.92 1.7563 7.451 447 21 3331 1 2.99 1.9733 8.373 447 21 3350 1 2.78 2.5913 8.545 447 21 3352 1 2.96 2.5657 7.869 447 21 3357 1 2.86 2.5729 7.679 447 21 3359 1 2.88 2.8036 7.828 447 21 3361 1 2.85 2.9442 7.876 447 21 3362 1 2.84 2.9139 7.913 447 21 3373 1 2.77 2.7698 7.443 447 21 3374 1 2.76 2.7703 7.640 447 21 3375 1 2.84 1.8751 7.289 447 21 3377 1 2.65 2.5899 7.459 447 21 3386 1 2.85 3.0970 7.339 447 21 3387 1 2.63 2.8906 7.634 ## Starting information for simulation # 22 447 22 9446 1 2.87 1.8917 11.887 447 22 9449 1 2.98 1.7515 11.701 ## Starting information for simulation # 23 447 23 3721 1 2.78 2.7645 12.337 ## 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 # 29 447 29 6506 1 2.91 1.9008 13.095 447 29 6518 1 2.95 1.9118 12.724 447 29 6527 1 2.87 2.5224 12.642 447 29 6530 1 2.96 2.6293 12.556 447 29 6531 1 2.97 2.8829 12.307 447 29 6532 1 2.57 2.9889 12.235 447 29 6533 1 2.77 2.3776 12.305 447 29 6534 1 2.64 2.6896 12.561 447 29 6537 1 2.82 2.9215 12.737 447 29 6538 1 2.83 2.7549 12.348 447 29 6539 1 2.71 2.3529 12.341 447 29 6540 1 2.91 2.6471 12.534 447 29 6541 1 2.75 2.5963 12.504 447 29 6545 1 2.93 2.9320 12.236 447 29 6548 1 2.88 2.5311 12.325 447 29 6549 1 2.70 3.0615 12.776 447 29 6550 1 2.82 2.8780 12.036 447 29 6551 1 2.98 2.1943 12.166 447 29 6554 1 2.81 2.9295 12.244 447 29 6557 1 2.92 2.6814 12.401 447 29 6558 1 2.71 2.6284 12.467 447 29 6559 1 3.00 2.9394 12.393 447 29 6560 1 2.98 1.8620 12.162 447 29 6561 1 2.91 1.8002 12.134 447 29 6562 1 2.96 2.3097 12.344 447 29 6563 1 2.94 2.6315 12.204 447 29 6564 1 2.74 2.8947 11.432 447 29 6565 1 2.70 2.9803 12.096 447 29 6566 1 2.73 2.4224 11.949 447 29 6568 1 2.78 2.5185 11.776 447 29 6584 1 2.77 1.8285 12.224 447 29 7524 1 2.57 2.4087 12.143 447 29 7564 1 2.94 1.8191 12.438 447 29 7596 1 2.97 2.1353 12.163 447 29 7606 1 2.90 1.7805 12.418 447 29 7617 1 2.84 1.8013 12.340 447 29 7853 1 2.85 2.9693 12.251 447 29 7854 1 2.62 2.9827 11.882 447 29 7855 1 2.88 2.3373 11.607 ## Starting information for simulation # 30 447 30 764 1 2.77 1.9050 11.017 447 30 765 1 2.76 2.3332 11.284 447 30 766 1 2.98 1.8091 11.548 447 30 768 1 2.67 1.9813 11.275 447 30 770 1 2.93 1.7835 11.688 ## Starting information for simulation # 31 ## Starting information for simulation # 32 447 32 7 1 2.81 2.3484 10.471 447 32 9 1 2.66 2.8067 10.432 447 32 10 1 2.93 2.4379 10.513 447 32 11 1 2.60 2.7022 10.560 447 32 691 1 2.93 1.9566 10.808 447 32 696 1 2.75 2.1073 10.869 447 32 701 1 2.99 1.9717 11.456 447 32 704 1 2.71 2.7682 11.467 447 32 709 1 2.80 1.8235 10.113 447 32 711 1 2.89 2.5250 10.254 447 32 717 1 2.72 1.8783 11.073 ## Starting information for simulation # 33 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36 447 36 4 1 3.00 2.4438 10.453 447 36 5 1 2.91 2.1221 11.049 447 36 94 1 2.93 1.8258 11.653 447 36 97 1 2.72 2.7733 11.386 447 36 105 1 2.74 2.5320 11.114 447 36 108 1 2.69 2.6155 11.253 447 36 329 1 2.98 1.8654 8.457 447 36 335 1 2.88 2.8259 9.162 447 36 338 1 2.97 2.4183 7.707 447 36 340 1 2.81 2.4055 8.254 447 36 345 1 2.60 2.5386 7.934 447 36 2192 1 2.85 2.6593 9.687 447 36 2193 1 2.63 2.7451 9.628 447 36 2194 1 2.84 2.4784 9.489 447 36 2195 1 2.77 2.9410 9.862 447 36 2196 1 2.81 2.7909 9.577 447 36 2197 1 2.93 2.5782 9.269 447 36 2201 1 2.95 2.2600 10.026 447 36 2203 1 2.71 2.6347 9.742 447 36 2204 1 2.87 2.8025 9.792 447 36 2205 1 2.76 2.0804 9.540 447 36 2206 1 2.83 2.6923 9.510 447 36 2208 1 2.67 2.6955 10.070 447 36 2209 1 2.88 2.6998 9.882 447 36 2211 1 2.84 2.6919 9.356 447 36 2213 1 2.82 2.4277 9.665 447 36 2214 1 2.89 2.3615 10.030 447 36 2215 1 2.83 2.6941 9.585 447 36 2217 1 2.84 2.6686 10.011 447 36 2218 1 2.82 2.7844 9.730 447 36 2219 1 2.81 2.6679 9.429 447 36 2220 1 2.96 2.2570 9.950 447 36 2222 1 2.89 3.0779 9.752 447 36 2225 1 2.75 2.7949 9.622 447 36 2228 1 2.91 2.1208 9.692 447 36 2230 1 2.84 2.9312 9.670 447 36 2233 1 2.62 2.5605 9.972 447 36 2236 1 2.96 1.9821 9.898 447 36 2237 1 2.86 2.2135 9.676 447 36 2252 1 2.81 2.3785 9.416 447 36 2254 1 2.92 3.0224 9.703 447 36 2255 1 2.91 2.8848 9.551 447 36 2366 1 2.88 2.5406 9.544 447 36 2372 1 2.71 2.4217 9.338 447 36 2374 1 2.80 3.0226 9.620 447 36 2375 1 2.99 2.6860 9.757 447 36 2376 1 2.81 2.5205 9.564 447 36 2379 1 2.79 2.7822 9.983 447 36 2380 1 2.82 2.6610 9.601 447 36 2381 1 2.74 2.8378 9.543 447 36 2387 1 2.86 2.8670 9.465 447 36 2388 1 2.74 2.7373 9.535 447 36 2390 1 2.96 2.9849 9.657 447 36 2391 1 2.91 2.6494 9.817 447 36 2392 1 2.89 2.6320 9.669 447 36 2393 1 2.94 2.9027 9.768 447 36 2397 1 2.68 2.8064 10.150 447 36 2398 1 2.94 2.5055 9.574 447 36 2402 1 2.93 2.0239 9.556 447 36 2403 1 2.99 2.2817 9.958 447 36 2404 1 2.76 2.9802 9.772 447 36 2408 1 2.96 2.5662 9.802 447 36 2413 1 2.86 2.7329 9.695 447 36 2414 1 2.82 2.3228 9.677 447 36 2415 1 2.99 2.1582 10.022 447 36 2416 1 2.78 2.4666 9.681 447 36 2417 1 2.67 2.7742 9.670 447 36 2418 1 2.92 2.1298 9.603 447 36 2420 1 2.77 2.6125 9.784 447 36 2421 1 2.69 2.7244 9.424 447 36 2422 1 2.87 2.5082 9.675 447 36 2424 1 2.72 2.4517 9.887 447 36 2425 1 2.85 2.6985 9.545 447 36 2427 1 2.75 2.3234 9.701 447 36 2435 1 3.00 3.0737 9.681 447 36 2436 1 2.90 3.0537 9.679 447 36 2439 1 2.67 2.8102 9.590 447 36 2440 1 2.69 2.4061 10.126 447 36 2442 1 2.77 2.8735 9.576 447 36 2517 1 2.81 2.4068 9.674 447 36 2519 1 2.96 2.6613 9.591 447 36 2520 1 2.96 1.9537 9.488 447 36 2521 1 2.75 2.5802 9.605 447 36 2523 1 2.79 2.9990 9.811 447 36 2527 1 2.97 2.2591 9.931 447 36 2528 1 2.79 3.0154 9.606 447 36 2529 1 2.72 2.3344 9.544 447 36 2530 1 2.74 2.4045 9.858 447 36 2531 1 2.87 2.5396 9.913 447 36 2534 1 2.91 2.5197 9.726 447 36 2537 1 2.78 2.6228 9.612 447 36 2540 1 2.84 2.8752 9.723 447 36 2542 1 2.77 2.6952 9.496 447 36 2545 1 2.73 2.5916 9.780 447 36 2546 1 2.67 2.8133 9.791 447 36 2547 1 2.90 2.4218 9.521 447 36 2548 1 2.85 2.4787 9.844 447 36 2551 1 2.89 2.5184 9.778 447 36 2553 1 2.65 2.5329 9.858 447 36 2555 1 2.94 2.3431 9.706 447 36 3439 1 2.99 2.5240 8.796 447 36 3734 1 2.85 2.7890 9.229 447 36 3736 1 2.61 2.8994 9.044 447 36 5603 1 2.82 2.9141 9.346 447 36 5604 1 2.74 2.8897 8.847 447 36 5607 1 2.79 2.7610 9.103 447 36 5613 1 2.96 2.6429 9.443 447 36 5629 1 2.96 2.3390 9.149 447 36 5631 1 2.84 2.3242 10.223 447 36 5632 1 2.99 2.7202 9.815 447 36 5634 1 2.93 2.9360 10.562 447 36 5635 1 2.98 2.7831 10.281