# Bonding information for index 250 -- 0MA_14@O2 0MA_12@H3O 0MA_12@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 ## Starting information for simulation # 5 ## Starting information for simulation # 6 ## Starting information for simulation # 7 250 7 2721 1 2.96 2.7814 10.187 250 7 3053 1 2.74 2.9555 10.354 ## Starting information for simulation # 8 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 250 11 425 1 2.92 2.5409 11.719 250 11 7857 1 2.98 2.3846 11.984 250 11 8451 1 2.84 2.2325 13.059 250 11 8489 1 2.72 2.7499 12.307 ## Starting information for simulation # 12 ## Starting information for simulation # 13 250 13 340 1 2.92 2.4956 10.314 ## Starting information for simulation # 14 ## Starting information for simulation # 15 250 15 272 1 2.95 1.7827 11.178 250 15 6519 1 2.85 2.6170 11.733 250 15 6520 1 2.89 2.6411 11.193 250 15 6521 1 2.69 2.6650 11.549 250 15 6522 1 2.75 2.8259 11.555 250 15 6524 1 2.91 2.6549 11.146 250 15 6528 1 2.93 2.8538 11.641 ## Starting information for simulation # 16 ## Starting information for simulation # 17 ## Starting information for simulation # 18 ## Starting information for simulation # 19 ## Starting information for simulation # 20 ## Starting information for simulation # 21 ## Starting information for simulation # 22 250 22 5388 1 2.94 2.4209 12.190 250 22 5389 1 2.97 2.4085 12.373 250 22 5392 1 2.73 2.5122 11.430 250 22 5946 1 2.92 2.6341 12.269 250 22 6045 1 2.84 2.1516 11.476 250 22 6061 1 2.90 2.2581 12.335 250 22 6073 1 2.72 2.8957 12.129 250 22 6393 1 2.70 2.7405 12.663 250 22 6398 1 2.79 2.5412 12.773 250 22 6402 1 2.88 2.6104 12.535 250 22 6403 1 2.96 2.7764 11.972 250 22 6404 1 2.58 2.6684 13.113 250 22 6405 1 2.70 2.6973 12.317 250 22 6406 1 2.67 2.6897 12.798 250 22 6442 1 2.90 2.3221 12.511 250 22 7726 1 2.84 2.4619 12.051 250 22 7728 1 2.69 2.6124 12.674 250 22 7729 1 2.72 2.8187 12.137 250 22 7730 1 2.86 2.7574 12.948 250 22 7731 1 2.74 3.0293 13.227 250 22 7735 1 2.73 2.5911 13.079 250 22 7737 1 2.88 2.5610 12.476 250 22 7738 1 2.91 2.5308 11.759 250 22 7740 1 2.74 2.5839 12.670 250 22 7743 1 2.96 2.3708 12.586 250 22 7744 1 2.91 2.7111 11.970 250 22 7745 1 2.85 2.7975 12.127 250 22 7746 1 2.83 2.5027 12.816 250 22 7747 1 2.67 2.6831 12.964 250 22 7748 1 2.79 2.6233 12.232 250 22 7749 1 2.70 2.6860 12.659 250 22 7750 1 2.84 2.7639 12.002 250 22 7751 1 2.75 2.3397 12.345 250 22 7996 1 2.71 2.5609 13.069 250 22 8232 1 2.98 2.7279 12.884 250 22 8233 1 2.88 2.2842 12.798 250 22 8238 1 2.80 2.7993 12.410 250 22 8239 1 2.75 2.4061 13.174 250 22 8241 1 2.86 2.5660 12.368 250 22 8329 1 2.81 2.6263 12.338 250 22 8330 1 2.77 2.7218 12.312 250 22 9552 1 2.96 2.5993 12.348 250 22 9554 1 2.89 2.5238 12.802 250 22 9556 1 2.84 2.8074 13.072 250 22 9560 1 2.74 2.6314 12.503 250 22 9588 1 2.63 2.4286 12.551 250 22 9754 1 2.76 2.6686 13.365 250 22 9756 1 2.64 2.3912 12.765 250 22 9757 1 2.82 2.5788 12.820 250 22 9760 1 2.78 2.9500 12.367 250 22 9762 1 2.70 2.4442 12.845 250 22 9763 1 2.70 2.6503 13.288 250 22 9766 1 2.81 2.7519 12.204 250 22 9767 1 2.80 2.3462 11.970 250 22 9768 1 2.99 2.9309 11.731 250 22 9769 1 2.95 2.3639 11.909 250 22 9775 1 2.99 1.9627 10.766 250 22 9838 1 2.90 2.8370 12.453 ## Starting information for simulation # 23 ## Starting information for simulation # 24 250 24 2688 1 2.74 2.4948 12.378 ## Starting information for simulation # 25 250 25 210 1 2.91 2.4724 11.650 250 25 359 1 2.91 2.3661 11.153 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 250 28 590 1 2.94 1.8848 11.798 250 28 595 1 2.73 2.8804 11.358 250 28 613 1 2.83 2.5750 11.878 250 28 615 1 2.78 2.3171 11.243 250 28 618 1 3.00 2.0679 11.378 250 28 631 1 2.63 2.9989 11.642 250 28 632 1 2.77 2.7907 11.603 250 28 633 1 2.84 2.5688 11.373 ## Starting information for simulation # 29 ## Starting information for simulation # 30 250 30 2497 1 2.85 2.0678 12.717 ## Starting information for simulation # 31 250 31 3760 1 2.71 2.6659 11.891 250 31 3761 1 2.76 2.9350 11.223 250 31 3792 1 2.55 2.5711 10.430 250 31 3827 1 2.67 2.5374 11.320 250 31 4202 1 2.96 2.1556 11.651 250 31 4203 1 2.93 1.9005 11.510 250 31 4208 1 2.95 2.9206 11.115 250 31 4210 1 2.92 1.9473 11.103 250 31 4211 1 2.96 2.4516 11.019 250 31 4247 1 2.77 2.7027 10.740 250 31 4426 1 2.95 2.8471 11.521 250 31 4433 1 2.81 2.8719 11.086 250 31 5113 1 2.84 2.5837 11.798 250 31 5194 1 2.58 3.0783 12.472 250 31 5195 1 2.89 2.6461 12.247 250 31 5197 1 2.59 2.8819 11.892 250 31 5198 1 2.96 2.8306 11.739 250 31 5199 1 2.74 2.9879 12.004 250 31 5619 1 2.96 2.2012 12.688 250 31 5934 1 2.98 2.2796 12.870 250 31 6002 1 2.99 2.2096 12.691 250 31 6036 1 2.94 2.4012 12.459 250 31 6136 1 2.83 2.6987 12.125 250 31 6138 1 2.70 2.8695 12.792 250 31 6436 1 2.97 2.0854 11.686 250 31 6459 1 2.95 2.5655 12.364 250 31 6690 1 2.76 2.8685 12.292 250 31 6691 1 2.98 2.8578 12.457 250 31 6692 1 2.91 2.0048 12.884 250 31 6724 1 2.76 2.8381 12.301 250 31 7844 1 2.99 2.0615 12.765 250 31 9909 1 2.79 2.4286 11.605 250 31 9929 1 2.95 2.2816 11.010 ## Starting information for simulation # 32 ## Starting information for simulation # 33 ## Starting information for simulation # 34 250 34 5702 1 2.75 2.5660 12.634 250 34 5736 1 2.81 2.3373 13.519 250 34 5737 1 2.78 2.7874 13.778 250 34 6187 1 2.91 2.4140 11.845 250 34 6666 1 2.60 3.0387 14.004 250 34 7629 1 2.91 2.9660 12.760 250 34 7670 1 2.94 2.9741 12.197 250 34 7673 1 2.73 2.8174 12.992 250 34 7675 1 2.89 2.8688 13.509 250 34 7676 1 2.65 2.9668 13.538 250 34 7678 1 2.76 2.8327 13.580 250 34 7680 1 2.98 3.0704 12.808 250 34 7682 1 2.96 2.8262 12.612 250 34 7684 1 2.79 2.6189 12.796 250 34 7685 1 2.78 2.4146 13.375 250 34 7686 1 2.90 2.5487 13.498 250 34 7687 1 2.85 2.7393 13.473 250 34 7688 1 2.82 2.9074 13.515 250 34 7689 1 2.67 2.6250 13.415 250 34 7690 1 2.79 3.0239 13.327 250 34 7691 1 2.68 2.7632 13.607 250 34 7692 1 2.62 2.8676 13.758 250 34 7693 1 2.80 2.8136 13.262 250 34 7694 1 2.84 2.5731 13.615 250 34 7695 1 2.81 2.7287 12.921 250 34 7696 1 2.81 3.0489 13.040 250 34 7700 1 2.62 2.7449 13.610 250 34 7701 1 2.59 3.0087 12.707 250 34 7702 1 2.83 2.5539 13.152 250 34 7703 1 2.76 2.9047 12.669 250 34 7706 1 2.75 2.7520 13.176 250 34 7707 1 2.82 2.9072 13.232 250 34 7713 1 2.85 2.3421 13.578 250 34 7717 1 2.99 2.8474 13.866 250 34 7721 1 2.78 2.6437 13.408 250 34 7874 1 2.86 2.5211 12.294 250 34 8129 1 2.76 2.6134 13.566 250 34 8130 1 2.83 2.6305 13.661 250 34 8715 1 2.89 2.6059 14.328 250 34 9242 1 2.84 2.7999 13.427 250 34 9250 1 2.78 2.9484 13.634 250 34 9251 1 2.83 2.9269 12.924 250 34 9252 1 2.87 2.6847 13.533 250 34 9253 1 2.81 2.8628 13.020 250 34 9260 1 2.83 2.9640 13.711 250 34 9303 1 2.79 2.6674 13.020 250 34 9304 1 2.83 2.8069 13.711 250 34 9306 1 2.91 2.7002 13.044 250 34 9308 1 2.85 2.0712 13.249 250 34 9309 1 2.76 2.9196 13.145 250 34 9310 1 2.76 2.7943 12.821 250 34 9690 1 2.80 2.9329 11.903 250 34 9691 1 2.78 3.0772 12.875 250 34 9693 1 2.77 2.7148 11.914 250 34 9694 1 2.86 2.8684 12.526 250 34 9734 1 2.66 2.7431 13.672 250 34 9736 1 2.68 3.0245 13.503 250 34 9737 1 2.98 3.0376 13.667 250 34 9738 1 2.68 2.8644 13.481 250 34 9741 1 2.74 2.9059 13.732 250 34 9929 1 2.60 3.1098 13.097 250 34 9930 1 2.81 2.9470 12.032 250 34 9931 1 2.91 2.6720 12.639 250 34 9935 1 2.71 2.8667 12.440 250 34 9940 1 2.83 2.8208 11.289 250 34 9980 1 2.82 2.9873 12.816 250 34 9982 1 2.61 2.9289 12.576 250 34 9983 1 2.76 2.8834 12.493 250 34 9999 1 2.90 2.6026 12.803 250 34 10058 1 2.78 2.1375 12.693 250 34 10070 1 2.94 3.1088 12.287 250 34 10071 1 2.93 2.8898 12.820 250 34 10072 1 2.93 2.8535 12.567 250 34 10073 1 2.87 2.8826 12.990 250 34 10074 1 2.61 2.7860 13.022 250 34 10075 1 2.73 2.7066 12.968 250 34 10094 1 2.72 2.8252 12.950 ## Starting information for simulation # 35 250 35 7733 1 2.78 2.8136 12.820 ## Starting information for simulation # 36