# Bonding information for index 4 -- 0MA_12@O2 0MA_13@H3O 0MA_13@O3 # 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 4 4 87 1 2.95 2.5493 12.253 4 4 118 1 2.99 1.7697 12.441 4 4 468 1 2.85 2.6881 12.407 4 4 469 1 2.87 2.6747 12.603 4 4 470 1 2.78 2.8950 12.106 4 4 471 1 2.70 3.0755 12.251 4 4 755 1 2.86 3.0127 13.465 4 4 3719 1 2.89 2.8698 13.353 4 4 3720 1 2.68 2.7730 12.846 4 4 3721 1 2.88 3.0446 13.161 4 4 3722 1 2.85 2.7869 13.077 4 4 3729 1 2.99 2.9015 12.598 4 4 3730 1 2.86 2.8395 12.903 4 4 3731 1 2.58 3.0931 12.440 4 4 3732 1 2.83 2.6353 12.357 4 4 3733 1 2.96 2.1716 12.771 4 4 3734 1 2.91 2.5863 12.601 ## Starting information for simulation # 5 4 5 6563 1 2.92 2.2603 10.824 4 5 7490 1 2.78 2.6819 9.496 4 5 8222 1 2.92 3.0401 11.464 4 5 8225 1 2.75 2.6370 11.005 4 5 8226 1 2.72 2.6658 11.195 4 5 8228 1 3.00 3.0293 10.950 4 5 8230 1 2.75 2.5929 10.863 ## Starting information for simulation # 6 4 6 7304 1 2.85 2.7860 8.482 4 6 7323 1 2.94 2.2700 8.797 4 6 7900 1 2.90 2.6763 10.810 ## Starting information for simulation # 7 4 7 1133 1 2.75 2.8772 9.458 4 7 1134 1 2.93 1.8605 9.286 4 7 1372 1 2.99 2.6478 9.299 4 7 1871 1 2.71 1.7539 9.154 4 7 2123 1 2.98 1.9777 9.393 4 7 2128 1 2.83 2.5753 9.354 4 7 2129 1 2.73 2.6879 9.369 4 7 2155 1 2.92 1.9839 8.379 4 7 2156 1 2.94 2.0490 9.239 4 7 2215 1 2.84 2.3684 9.518 4 7 2216 1 2.99 2.5693 8.990 4 7 2217 1 2.84 2.7219 9.069 4 7 2259 1 2.92 1.9911 8.947 4 7 2418 1 2.76 2.8861 8.979 4 7 2421 1 2.70 2.6419 9.345 4 7 2422 1 2.75 2.9187 9.797 4 7 2423 1 2.68 3.0000 9.752 4 7 2594 1 2.93 2.7809 8.967 4 7 2651 1 2.71 2.5151 8.948 4 7 2914 1 2.85 1.8163 10.234 4 7 2919 1 2.63 2.6640 9.764 4 7 2962 1 2.73 2.8285 10.319 4 7 2964 1 2.62 2.9408 10.940 4 7 2988 1 2.80 2.2440 9.399 4 7 2997 1 2.97 2.6315 10.150 4 7 3003 1 2.73 2.2743 9.780 4 7 3356 1 2.93 3.0005 11.628 4 7 3359 1 2.67 3.0931 12.151 4 7 3393 1 2.66 3.0387 12.029 4 7 3776 1 2.93 1.9865 12.160 4 7 3938 1 2.74 2.9796 11.819 4 7 5308 1 2.88 2.8965 13.916 ## Starting information for simulation # 8 ## Starting information for simulation # 9 4 9 871 1 2.92 3.0026 11.578 4 9 874 1 2.73 2.6384 11.348 4 9 875 1 2.83 2.9334 11.173 4 9 876 1 2.81 2.7027 11.211 4 9 878 1 2.81 2.6378 11.316 4 9 883 1 2.89 2.6592 11.605 4 9 884 1 2.76 2.7369 11.768 4 9 885 1 2.93 2.7443 12.005 4 9 889 1 2.62 2.8968 11.091 4 9 890 1 2.81 2.7495 11.982 4 9 891 1 2.70 2.8529 10.957 4 9 892 1 2.76 2.9592 11.050 ## Starting information for simulation # 10 ## Starting information for simulation # 11 ## Starting information for simulation # 12 ## Starting information for simulation # 13 4 13 4950 1 2.80 3.0200 10.957 4 13 8620 1 2.89 2.1153 10.503 ## Starting information for simulation # 14 ## Starting information for simulation # 15 4 15 41 1 2.85 1.8391 12.740 4 15 6170 1 2.97 2.4008 12.773 4 15 6297 1 2.82 2.5000 12.423 4 15 6298 1 2.69 2.8773 11.170 4 15 6369 1 2.72 2.7650 12.349 4 15 6370 1 2.74 2.7754 11.789 4 15 6371 1 2.73 2.5845 11.831 4 15 6372 1 2.82 2.8455 11.003 4 15 6750 1 2.78 2.3360 12.566 4 15 8589 1 2.63 2.9870 12.409 4 15 8680 1 2.76 3.0252 12.298 4 15 8833 1 2.65 2.8014 11.549 4 15 8834 1 2.65 3.0231 11.256 4 15 8965 1 2.90 3.0294 11.086 4 15 9133 1 2.98 2.4906 11.951 4 15 9552 1 2.98 2.6614 11.962 4 15 9744 1 2.99 2.7925 11.122 4 15 9796 1 2.79 3.0159 12.981 4 15 9891 1 2.70 2.7140 11.395 4 15 9892 1 2.83 2.8258 11.399 4 15 9893 1 2.71 2.7698 11.573 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 4 18 1848 1 2.82 2.7244 10.890 ## Starting information for simulation # 19 4 19 10 1 2.66 2.8753 12.798 4 19 69 1 2.99 2.4477 11.685 4 19 79 1 2.97 2.3477 11.845 4 19 504 1 2.98 1.7808 13.481 4 19 634 1 2.85 2.7721 10.707 4 19 663 1 2.82 2.5145 10.980 4 19 686 1 2.90 1.9980 8.738 4 19 728 1 2.91 2.6318 10.013 4 19 806 1 2.92 2.3816 10.359 4 19 825 1 2.96 1.7935 10.474 4 19 888 1 2.74 2.7369 9.079 4 19 1231 1 2.74 2.9614 10.542 4 19 1262 1 2.82 2.7522 11.247 4 19 1268 1 2.69 2.6894 9.881 4 19 1269 1 2.97 2.7889 10.496 4 19 1270 1 2.98 1.9332 9.666 4 19 1446 1 2.75 2.2334 9.585 4 19 1932 1 2.89 2.6641 10.897 4 19 2053 1 2.75 2.5424 10.923 4 19 2054 1 2.87 2.7776 10.034 4 19 2195 1 2.92 2.6749 12.389 4 19 2501 1 2.69 2.9120 10.100 4 19 2502 1 2.68 3.0189 10.339 4 19 2503 1 2.80 2.5425 10.125 4 19 2666 1 2.68 2.9007 10.957 4 19 3142 1 2.94 2.8237 12.451 4 19 3254 1 2.83 1.9855 8.517 4 19 3375 1 2.85 2.4113 9.603 4 19 3391 1 3.00 2.6354 10.710 4 19 3393 1 2.53 2.9457 10.177 4 19 3434 1 2.85 2.4272 12.282 4 19 3464 1 2.84 2.9215 11.856 4 19 3683 1 2.83 1.8113 12.669 4 19 4317 1 2.92 1.8668 12.721 4 19 5418 1 2.77 3.0534 11.286 4 19 5656 1 2.86 2.9855 12.044 4 19 5991 1 2.85 2.1983 11.653 4 19 5992 1 2.72 2.8349 11.495 4 19 6097 1 2.65 2.4444 7.977 4 19 6098 1 2.82 2.6945 7.889 4 19 6298 1 2.74 2.7127 7.287 4 19 6851 1 2.97 2.7186 8.065 4 19 7470 1 2.95 1.9757 8.642 4 19 8551 1 2.91 2.4281 11.752 4 19 8561 1 2.81 2.8559 11.882 4 19 8871 1 2.97 1.8642 11.675 4 19 8916 1 2.94 2.6639 12.030 4 19 8929 1 2.97 1.8419 11.388 ## Starting information for simulation # 20 4 20 3128 1 2.97 2.3709 11.942 ## Starting information for simulation # 21 ## Starting information for simulation # 22 ## Starting information for simulation # 23 ## Starting information for simulation # 24 4 24 7849 1 2.76 2.8273 11.713 ## Starting information for simulation # 25 ## Starting information for simulation # 26 ## Starting information for simulation # 27 4 27 3504 1 2.97 1.9911 11.279 4 27 4269 1 2.74 2.7084 10.588 4 27 5710 1 2.80 2.6275 12.054 ## 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 4 33 87 1 2.95 2.5493 12.253 4 33 118 1 2.99 1.7697 12.441 4 33 468 1 2.85 2.6881 12.407 4 33 469 1 2.87 2.6747 12.603 4 33 470 1 2.78 2.8950 12.106 4 33 471 1 2.70 3.0755 12.251 4 33 1002 1 2.68 2.6904 11.417 4 33 1772 1 2.84 2.6369 12.579 4 33 4957 1 2.73 2.7750 12.601 4 33 4958 1 2.80 2.7238 12.996 4 33 4959 1 2.72 2.8251 12.869 4 33 4960 1 2.99 2.7846 13.052 4 33 4961 1 2.92 2.3797 12.757 4 33 5465 1 2.67 2.7932 10.195 4 33 5489 1 2.79 2.9335 10.911 4 33 5490 1 2.91 2.7680 11.348 4 33 5508 1 2.65 2.7530 11.587 4 33 5524 1 2.92 2.8499 11.875 4 33 5755 1 2.88 2.5656 13.106 4 33 5756 1 2.77 3.0637 12.695 4 33 5757 1 2.75 2.8841 12.687 4 33 6230 1 2.95 1.8655 12.123 4 33 6295 1 2.95 1.8484 11.426 4 33 6667 1 2.80 2.4240 9.703 4 33 6710 1 2.72 2.9481 11.967 4 33 6748 1 2.94 2.5585 10.060 4 33 6909 1 2.81 2.7799 10.472 4 33 8187 1 2.87 2.1475 8.964 4 33 8458 1 2.84 2.7944 8.908 4 33 8551 1 2.81 1.8906 8.869 4 33 8665 1 2.76 1.9073 8.735 4 33 8802 1 2.88 2.6929 10.064 4 33 9206 1 2.78 2.7029 9.372 4 33 9281 1 2.85 2.9475 9.169 4 33 9282 1 2.73 2.6377 9.672 4 33 9297 1 2.72 2.8804 9.587 ## Starting information for simulation # 34 ## Starting information for simulation # 35 4 35 34 1 2.79 2.4028 12.455 4 35 35 1 2.80 2.8093 12.475 4 35 127 1 2.83 2.7318 13.321 4 35 130 1 2.66 2.6939 12.543 ## Starting information for simulation # 36