# Bonding information for index 262 -- 0MA_14@O2 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 # 3 262 3 8181 1 2.99 2.7040 7.544 262 3 8185 1 3.00 2.3604 8.108 262 3 8186 1 2.70 3.0810 7.556 262 3 8187 1 2.74 2.9022 7.518 ## Starting information for simulation # 4 ## Starting information for simulation # 5 262 5 4184 1 2.81 2.1271 7.543 262 5 9108 1 2.90 2.9321 8.849 262 5 9109 1 2.97 2.6554 9.468 ## Starting information for simulation # 6 262 6 6850 1 2.90 2.7153 9.443 262 6 7714 1 2.74 2.5938 8.453 ## Starting information for simulation # 7 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 ## Starting information for simulation # 14 262 14 5022 1 2.72 3.0231 8.214 262 14 5601 1 2.97 3.0075 6.751 262 14 5602 1 2.98 1.9487 6.679 262 14 5783 1 2.97 2.3490 6.442 262 14 5817 1 2.83 2.6100 6.588 262 14 6050 1 2.82 1.9581 9.149 262 14 6347 1 2.79 2.6746 9.621 262 14 6449 1 2.77 2.5666 6.659 262 14 6463 1 2.58 2.7059 7.606 262 14 6464 1 2.48 2.8168 6.846 262 14 6465 1 2.73 2.7142 7.356 262 14 6467 1 2.69 2.8381 6.968 262 14 6468 1 2.88 2.4722 6.364 262 14 6469 1 2.76 2.9554 6.368 262 14 6470 1 2.95 2.6607 6.377 262 14 6472 1 2.92 2.6896 5.956 262 14 6495 1 2.74 2.1895 6.693 262 14 6572 1 2.78 2.5256 6.411 262 14 6574 1 2.76 2.5393 6.036 262 14 6575 1 2.73 2.6749 6.400 262 14 6576 1 2.52 2.7563 6.374 262 14 6579 1 2.72 2.8222 6.366 262 14 6580 1 2.66 2.6894 6.648 262 14 6581 1 2.91 2.7084 6.124 262 14 7351 1 2.79 3.0235 6.006 262 14 7375 1 2.70 2.2611 5.994 262 14 7684 1 2.58 2.7237 6.666 262 14 7689 1 2.94 2.2854 6.500 262 14 7998 1 2.85 2.8430 6.174 262 14 8666 1 2.80 2.6931 5.719 262 14 8677 1 2.98 1.9775 6.361 262 14 8821 1 2.95 1.8993 8.694 ## Starting information for simulation # 15 ## Starting information for simulation # 16 262 16 1991 1 2.89 2.6024 6.841 262 16 2027 1 2.99 1.9534 6.730 262 16 2033 1 2.69 3.1109 6.219 262 16 2034 1 2.62 2.9656 6.786 262 16 2035 1 2.83 2.9329 6.471 262 16 2036 1 2.67 2.9858 6.478 262 16 2037 1 2.70 2.6857 6.481 262 16 2043 1 2.66 2.8667 6.861 262 16 2044 1 2.66 2.5631 6.210 262 16 2047 1 2.78 3.0071 6.279 262 16 2048 1 2.63 2.6310 6.755 262 16 2049 1 2.70 3.0599 6.614 262 16 2050 1 2.81 3.0140 6.271 262 16 2051 1 2.61 2.7707 6.934 262 16 2052 1 2.59 2.7926 6.500 262 16 2064 1 2.56 2.9572 6.453 262 16 2065 1 2.73 2.7660 6.317 262 16 2066 1 2.86 2.7631 6.521 262 16 2381 1 2.81 1.9823 6.634 262 16 2390 1 2.89 1.7514 6.534 262 16 2529 1 2.82 2.8601 6.399 262 16 2575 1 2.75 2.7008 6.612 262 16 2664 1 2.78 2.8869 6.651 262 16 2697 1 2.76 2.9203 6.698 262 16 2698 1 2.77 2.4673 6.318 262 16 2714 1 2.99 2.6220 5.941 262 16 2715 1 2.80 3.0524 6.054 262 16 2723 1 2.83 2.9440 6.298 262 16 2733 1 2.83 2.8555 6.171 262 16 2737 1 2.85 2.2079 6.753 262 16 2739 1 2.94 2.5619 6.509 262 16 2740 1 2.66 2.7468 6.482 262 16 2741 1 2.70 2.6909 6.475 262 16 2742 1 2.73 3.0122 6.464 262 16 2743 1 2.93 2.2530 6.519 262 16 3127 1 2.96 2.7594 6.379 262 16 3128 1 2.91 2.5269 6.540 262 16 3482 1 2.79 2.8096 6.715 262 16 5950 1 2.83 2.9464 7.949 262 16 5967 1 2.90 2.5639 6.529 262 16 5973 1 2.64 2.7151 6.369 262 16 5974 1 2.78 2.9796 6.530 262 16 6349 1 2.77 2.7286 6.510 262 16 6388 1 2.70 2.7311 6.494 262 16 6389 1 2.96 2.9646 6.378 262 16 6390 1 2.65 2.9950 6.469 262 16 6391 1 2.79 2.7869 7.000 262 16 6393 1 2.78 3.0152 6.425 262 16 6394 1 2.99 2.9085 6.512 262 16 6395 1 2.86 2.9681 6.382 262 16 6396 1 2.72 3.0320 6.399 262 16 6397 1 2.74 3.0504 6.640 262 16 6398 1 2.66 2.9790 6.455 262 16 6399 1 2.85 2.7990 6.213 262 16 6401 1 2.87 2.5017 6.399 262 16 6402 1 2.73 2.5893 6.553 262 16 6403 1 2.77 2.9444 6.349 262 16 6404 1 2.59 2.8198 6.304 262 16 6405 1 2.72 3.0118 6.426 262 16 6406 1 2.65 3.0892 6.476 262 16 6407 1 2.68 2.8823 6.534 262 16 6408 1 2.67 2.9250 6.355 262 16 6409 1 2.66 3.1102 6.465 262 16 6410 1 2.83 2.8639 6.527 262 16 6411 1 2.97 2.8013 6.467 262 16 6412 1 2.83 2.5442 6.838 262 16 6413 1 2.88 2.9664 6.569 262 16 6415 1 2.71 2.8893 6.617 262 16 6461 1 2.89 2.6511 6.901 262 16 6524 1 2.78 2.6787 6.716 262 16 6611 1 2.81 2.4357 7.960 262 16 6631 1 2.77 2.9882 7.399 262 16 6662 1 2.72 2.9411 8.238 262 16 6664 1 2.76 2.5887 8.954 262 16 6665 1 2.70 3.0965 8.538 262 16 6666 1 2.74 2.7703 8.675 262 16 7101 1 2.74 2.7480 6.476 262 16 7102 1 2.78 2.9331 6.758 262 16 7103 1 2.64 2.9896 6.468 262 16 7104 1 2.70 2.5036 6.513 262 16 7105 1 2.61 2.8058 6.141 262 16 7106 1 2.77 3.0212 6.394 262 16 7107 1 2.65 2.7769 6.156 262 16 7108 1 2.71 2.7641 6.307 262 16 7109 1 2.70 2.7413 6.618 262 16 7110 1 2.70 2.6323 6.623 262 16 7111 1 2.71 2.3831 6.346 262 16 7112 1 2.68 2.8321 6.476 262 16 7113 1 2.64 3.0409 7.117 262 16 7114 1 2.97 2.6283 6.676 262 16 7115 1 2.75 2.6984 6.768 262 16 7116 1 2.84 2.9748 6.313 262 16 7118 1 2.72 2.8231 6.496 262 16 7119 1 2.62 2.9297 6.570 262 16 7120 1 2.78 2.9339 6.644 262 16 7121 1 2.65 3.0986 6.537 262 16 7122 1 2.76 2.6980 6.485 262 16 7123 1 2.89 2.3882 6.232 262 16 7124 1 2.73 2.8927 6.696 262 16 7125 1 2.82 3.0931 6.374 262 16 7126 1 2.86 2.9388 6.584 262 16 7127 1 2.83 2.9271 6.503 262 16 7128 1 2.80 2.8400 6.182 262 16 7129 1 2.78 3.0039 6.445 262 16 7130 1 2.59 2.8850 6.583 262 16 7131 1 2.88 2.9896 6.332 262 16 7132 1 2.69 3.0130 6.732 262 16 7174 1 2.66 2.5907 6.494 262 16 7175 1 2.82 2.7549 6.605 262 16 7196 1 2.83 2.9687 6.660 262 16 7202 1 2.68 2.9796 6.688 262 16 7234 1 2.68 2.8735 6.823 262 16 7235 1 2.67 2.8318 6.726 262 16 7297 1 2.67 2.9496 6.426 262 16 7304 1 2.86 2.7649 6.534 262 16 7305 1 2.95 2.8578 6.940 262 16 7560 1 2.86 2.3131 6.840 262 16 7577 1 2.87 2.3882 6.928 262 16 7628 1 3.00 2.1662 6.685 262 16 7652 1 2.91 2.9970 6.590 262 16 7658 1 2.83 2.3623 6.326 262 16 7659 1 3.00 2.4772 6.522 262 16 7660 1 2.70 2.5038 6.400 262 16 7664 1 2.71 3.0101 6.201 262 16 7706 1 2.99 2.8572 6.379 262 16 7707 1 2.78 3.0799 6.618 262 16 7708 1 2.86 2.3557 6.279 262 16 7709 1 2.79 3.0989 6.551 262 16 7712 1 2.58 2.9713 6.050 262 16 7718 1 2.75 2.7083 6.075 262 16 7729 1 2.72 3.0163 6.735 262 16 7730 1 2.66 2.9606 6.429 262 16 7732 1 2.67 3.0080 6.603 262 16 7733 1 2.75 2.9537 6.221 262 16 7734 1 2.93 3.0254 6.352 262 16 7736 1 2.62 2.9531 6.490 262 16 7737 1 2.72 2.8579 6.211 262 16 7738 1 2.82 2.6373 6.802 262 16 7739 1 2.89 3.0335 6.326 262 16 7740 1 2.89 3.0011 6.961 262 16 7741 1 2.71 2.7410 6.588 262 16 7742 1 2.57 2.9582 6.392 262 16 7743 1 2.71 2.9472 6.410 262 16 7744 1 2.99 2.5183 6.489 262 16 7745 1 2.80 2.8001 6.617 262 16 7746 1 2.58 2.9392 7.605 262 16 7747 1 2.95 2.5756 7.229 262 16 7748 1 2.63 2.7153 6.349 262 16 7749 1 2.91 2.9560 6.588 262 16 7778 1 3.00 2.2615 6.939 262 16 7833 1 2.92 2.3079 6.905 262 16 7840 1 2.85 2.4459 6.680 262 16 7841 1 2.74 2.4205 7.362 262 16 7881 1 2.86 1.9630 6.709 262 16 7889 1 2.97 2.9861 6.489 262 16 7891 1 2.79 2.8875 6.253 262 16 7892 1 2.62 2.8385 6.481 262 16 7893 1 2.82 2.7301 6.700 262 16 7894 1 2.88 2.7747 6.622 262 16 7895 1 2.87 2.7871 6.610 262 16 7921 1 2.81 2.3389 6.753 262 16 7922 1 2.81 2.3855 6.325 262 16 7925 1 2.93 2.3884 6.472 262 16 7948 1 2.96 2.9689 6.564 262 16 7949 1 2.77 2.6031 6.557 262 16 7950 1 2.62 2.8618 6.465 262 16 7951 1 2.77 2.9060 6.306 262 16 7952 1 2.62 2.8823 6.449 262 16 7960 1 2.89 2.7612 6.617 262 16 7961 1 2.72 3.0728 6.569 262 16 7962 1 2.75 2.5875 6.602 262 16 7963 1 2.74 2.7164 6.824 262 16 7964 1 2.64 2.8771 6.771 262 16 7971 1 2.88 2.2431 6.498 262 16 7972 1 2.95 2.5140 6.718 262 16 7976 1 2.76 2.6990 6.643 262 16 7985 1 2.90 2.6412 6.559 262 16 7987 1 2.70 2.9105 6.698 262 16 7988 1 2.85 2.9063 6.654 262 16 8990 1 2.73 2.1870 6.689 262 16 8992 1 2.79 1.9072 6.485 262 16 9002 1 2.95 2.2837 6.477 262 16 9007 1 2.70 2.6761 6.546 262 16 9240 1 2.97 2.3563 6.528 262 16 9241 1 2.84 2.6725 6.650 262 16 9242 1 2.83 2.7291 6.576 262 16 9243 1 2.90 2.6581 6.438 262 16 9244 1 2.68 2.7035 6.588 262 16 9245 1 2.69 2.8378 6.384 262 16 9246 1 2.67 2.8708 6.672 262 16 9247 1 2.65 2.7741 6.605 262 16 9248 1 2.65 2.6562 6.487 262 16 9249 1 2.79 2.8245 6.906 262 16 9250 1 2.67 2.7462 6.467 262 16 9278 1 2.64 2.9739 6.494 262 16 9279 1 2.66 2.8146 6.685 262 16 9280 1 2.62 2.8547 6.683 262 16 9281 1 2.74 2.9572 6.340 262 16 9282 1 2.72 2.9360 6.577 262 16 9283 1 2.95 2.6836 6.586 262 16 9284 1 2.65 2.7624 6.625 ## Starting information for simulation # 17 262 17 3067 1 2.81 2.3689 11.186 262 17 3070 1 2.99 2.0945 11.717 262 17 3602 1 2.88 2.5307 11.779 262 17 3859 1 2.65 2.4421 12.133 262 17 3875 1 2.92 2.5626 12.315 262 17 4003 1 2.78 1.9348 11.393 262 17 4337 1 2.89 1.7750 10.412 262 17 4534 1 2.99 2.0079 10.802 262 17 4535 1 2.76 2.9876 10.759 262 17 4536 1 2.99 2.6993 10.688 262 17 4537 1 2.98 2.8756 10.680 262 17 4538 1 2.73 2.9082 10.884 262 17 4539 1 2.76 2.9855 11.201 262 17 4551 1 2.82 2.1198 11.006 262 17 5369 1 2.79 2.9083 12.028 262 17 5472 1 2.93 2.9492 11.998 262 17 5473 1 2.66 2.5490 12.204 262 17 5474 1 2.73 2.6771 12.556 262 17 5475 1 2.66 2.6770 12.650 262 17 6110 1 2.88 2.8435 10.622 ## Starting information for simulation # 18 ## Starting information for simulation # 19 262 19 6155 1 2.96 2.8266 8.012 262 19 6156 1 2.72 2.4330 7.929 262 19 6187 1 2.89 2.2207 8.260 262 19 6238 1 2.79 1.9350 8.915 262 19 6243 1 2.73 2.5893 7.590 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 262 23 4054 1 2.73 2.8451 10.149 262 23 4055 1 2.83 2.7518 10.122 262 23 4057 1 2.90 2.6117 11.261 262 23 4058 1 2.98 2.3477 11.101 262 23 4155 1 2.93 2.2075 10.160 262 23 4156 1 2.81 2.6956 9.936 262 23 4160 1 2.57 2.3922 9.642 262 23 4162 1 2.81 2.6817 9.488 262 23 4164 1 2.86 2.5978 9.608 262 23 4167 1 2.86 2.7665 9.574 262 23 4168 1 2.86 2.5321 9.906 262 23 4169 1 2.95 2.1205 10.575 262 23 4170 1 2.60 2.3181 9.436 262 23 4172 1 2.91 2.8482 8.646 262 23 4177 1 2.72 2.8395 10.479 262 23 4184 1 2.75 2.8069 10.996 262 23 4185 1 2.84 2.5140 11.519 262 23 4187 1 2.84 2.9875 11.341 262 23 4188 1 2.79 2.9721 11.637 262 23 4190 1 2.75 2.7762 11.407 262 23 4191 1 2.98 2.5578 11.223 262 23 4194 1 2.72 2.3145 9.798 262 23 4248 1 2.95 1.9750 9.789 262 23 4258 1 2.75 3.0180 11.067 262 23 4259 1 2.86 2.8120 11.045 262 23 4261 1 2.87 2.7410 11.392 262 23 4263 1 2.79 2.5609 11.119 262 23 4264 1 2.62 2.8585 10.892 262 23 4265 1 2.63 2.0837 11.650 262 23 4268 1 2.74 2.5854 11.261 262 23 4273 1 2.83 2.7304 11.406 262 23 4274 1 2.81 3.0178 11.434 262 23 4275 1 2.95 2.7684 12.220 262 23 4280 1 2.72 2.6974 11.425 262 23 4281 1 2.80 2.4369 11.236 262 23 4282 1 2.76 2.7763 11.657 262 23 4284 1 2.95 2.4309 10.832 262 23 4285 1 2.75 3.0800 11.267 262 23 4286 1 2.82 2.5716 11.184 262 23 4287 1 2.63 3.0020 11.925 262 23 4288 1 2.72 2.5280 11.813 262 23 4294 1 2.88 2.7898 10.563 262 23 4308 1 2.95 2.9643 11.700 262 23 4311 1 2.92 2.7200 11.595 262 23 4312 1 2.81 2.6833 10.620 262 23 4313 1 2.95 2.4611 10.672 262 23 4314 1 2.98 2.0579 11.191 262 23 4315 1 2.85 2.5595 10.640 262 23 4317 1 2.96 2.6797 10.967 262 23 4325 1 2.81 2.9435 10.116 262 23 4370 1 2.76 2.4529 9.143 262 23 4440 1 2.74 2.6309 10.760 262 23 4441 1 2.84 2.6518 10.064 262 23 4442 1 2.83 2.8378 10.357 262 23 4444 1 2.73 2.4892 10.607 262 23 4455 1 2.85 2.9727 11.637 262 23 4521 1 2.86 2.8251 9.256 262 23 4522 1 2.88 2.3376 8.665 262 23 4523 1 2.98 2.3727 9.106 ## 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 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36 262 36 574 1 2.82 2.6931 7.262 262 36 578 1 2.80 2.7414 7.313 262 36 602 1 2.75 2.8449 7.607 262 36 1033 1 2.76 2.8758 7.728 262 36 1034 1 2.85 2.6837 7.942 262 36 1035 1 2.66 2.5281 8.041 262 36 1036 1 2.94 2.6747 7.736 262 36 1085 1 2.98 2.3896 7.836 262 36 1240 1 2.81 2.6859 9.060 262 36 1241 1 2.75 2.7282 8.241 262 36 1242 1 2.77 2.8662 8.227 262 36 1243 1 2.97 2.4007 8.735 262 36 1244 1 2.65 2.2949 8.753 262 36 1252 1 2.92 2.9101 7.940 262 36 1282 1 2.71 2.6254 7.998 262 36 1288 1 2.83 2.4812 8.858 262 36 1310 1 2.90 2.6678 7.670 262 36 1317 1 2.71 2.4989 8.155 262 36 1784 1 2.82 2.5078 8.895 262 36 1785 1 2.85 2.4930 8.595 262 36 1814 1 2.90 2.2081 8.896 262 36 3409 1 2.78 2.3302 9.159