# Bonding information for index 422 -- 0MA_15@O4 0MA_12@H4O 0MA_12@O4 # 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 # 4 422 4 32 1 2.82 2.3102 13.511 422 4 33 1 2.71 2.8249 12.930 422 4 34 1 2.85 2.6925 12.681 422 4 194 1 2.85 2.6338 13.052 422 4 199 1 2.85 2.7421 13.335 422 4 898 1 2.74 2.6370 12.948 ## Starting information for simulation # 5 422 5 6945 1 2.76 2.2656 11.881 422 5 6952 1 2.72 2.3834 10.829 422 5 6954 1 2.89 2.5112 11.422 ## Starting information for simulation # 6 ## Starting information for simulation # 7 422 7 4070 1 2.93 2.0227 12.888 422 7 4075 1 2.83 2.5057 13.096 422 7 4077 1 2.95 2.5619 13.151 422 7 4078 1 2.97 2.9722 13.622 422 7 4080 1 2.62 2.8010 12.955 422 7 4081 1 2.82 2.6438 13.251 422 7 4082 1 2.78 2.0720 12.836 422 7 4083 1 2.72 2.2004 13.334 422 7 4084 1 2.87 2.2623 13.381 422 7 4085 1 2.81 2.0937 13.407 422 7 4087 1 2.80 2.9574 13.259 422 7 4088 1 2.61 2.8250 12.941 422 7 4108 1 2.77 3.0693 13.224 422 7 4171 1 2.73 2.6454 13.666 422 7 4172 1 2.94 2.7695 13.006 422 7 4202 1 2.84 2.8231 13.262 422 7 4225 1 2.98 2.1875 12.796 422 7 4233 1 2.67 2.7333 13.253 422 7 4247 1 2.61 3.0935 13.380 422 7 4248 1 2.69 2.6815 13.676 422 7 4249 1 2.84 2.7653 13.306 422 7 4250 1 2.87 2.2816 13.376 422 7 4251 1 2.92 2.9228 13.343 422 7 4252 1 2.91 2.7292 13.508 422 7 4254 1 2.93 2.5689 13.437 422 7 4255 1 2.84 2.6353 14.020 422 7 4256 1 2.67 2.8195 13.651 422 7 4260 1 2.91 2.0900 13.441 ## Starting information for simulation # 8 422 8 4296 1 2.98 2.8164 9.061 422 8 4432 1 2.92 1.7984 9.854 422 8 4515 1 2.94 2.5981 10.872 422 8 4524 1 2.93 2.8861 10.256 422 8 4526 1 2.71 2.3955 10.322 422 8 5887 1 2.91 1.7757 10.652 422 8 5892 1 2.84 2.5324 10.477 422 8 5920 1 2.94 1.7988 10.599 422 8 7014 1 2.76 1.8358 10.571 422 8 7018 1 2.92 2.6807 9.674 422 8 7041 1 2.91 2.5808 10.614 422 8 7045 1 2.82 1.9192 10.256 422 8 7123 1 2.96 2.6925 10.639 422 8 7124 1 2.68 2.7783 11.052 422 8 8010 1 2.86 2.5715 10.214 422 8 8189 1 2.81 2.8263 9.485 422 8 8190 1 2.97 1.8762 8.644 422 8 8191 1 2.91 2.9355 8.446 422 8 8192 1 2.60 3.0449 8.735 422 8 8193 1 2.69 2.6831 8.348 422 8 8195 1 2.75 2.9536 10.132 422 8 8196 1 2.73 2.9628 9.757 422 8 8233 1 2.95 2.8473 8.740 422 8 8234 1 2.64 2.6859 9.606 422 8 8235 1 2.88 2.9785 9.351 422 8 8236 1 2.77 2.7269 8.689 422 8 8237 1 2.58 3.0839 8.680 422 8 8239 1 2.89 2.9570 8.836 422 8 8423 1 2.95 2.6692 9.442 422 8 8433 1 2.66 2.3581 9.308 ## Starting information for simulation # 9 ## Starting information for simulation # 10 ## Starting information for simulation # 11 422 11 2227 1 2.98 2.3807 11.997 422 11 2235 1 2.63 2.8269 11.768 422 11 2940 1 2.70 2.4324 11.524 422 11 3028 1 2.59 2.6415 11.205 422 11 3214 1 2.97 2.2155 12.008 ## Starting information for simulation # 12 422 12 1128 1 2.83 2.1246 9.347 422 12 1133 1 2.83 2.7208 9.649 422 12 1176 1 2.93 2.2308 9.255 ## Starting information for simulation # 13 ## Starting information for simulation # 14 ## Starting information for simulation # 15 ## 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 # 22 422 22 961 1 2.81 2.3350 11.448 422 22 962 1 2.82 2.9878 11.275 422 22 963 1 2.68 2.7505 12.358 422 22 984 1 2.79 2.0414 11.549 422 22 993 1 2.79 2.1997 11.485 422 22 1004 1 2.69 2.8448 11.721 422 22 5085 1 2.80 2.5579 12.598 422 22 8965 1 2.94 2.4233 11.841 422 22 8989 1 2.89 2.5824 11.181 422 22 8990 1 2.95 2.6029 11.127 422 22 8991 1 2.94 2.7795 11.032 422 22 8994 1 2.78 2.9941 12.086 422 22 9239 1 2.85 2.5848 11.753 ## Starting information for simulation # 23 ## Starting information for simulation # 24 422 24 6219 1 2.72 2.8182 12.054 422 24 6243 1 2.67 2.7608 13.210 422 24 7303 1 2.75 2.8019 11.927 422 24 7304 1 2.67 2.9717 11.869 422 24 7306 1 2.67 2.9785 12.213 422 24 7324 1 2.80 2.2898 12.149 422 24 7327 1 2.62 2.8463 11.797 422 24 7328 1 2.80 2.8147 12.218 422 24 7331 1 2.70 2.7160 11.518 422 24 7346 1 2.98 2.8063 11.873 422 24 7348 1 2.86 2.6788 12.311 422 24 7349 1 2.77 2.9302 12.256 422 24 7491 1 2.94 2.4176 12.124 422 24 7492 1 2.83 2.8418 12.193 422 24 7501 1 2.79 3.0127 11.670 ## Starting information for simulation # 25 422 25 8755 1 2.71 2.9833 11.344 422 25 8756 1 2.98 2.5374 11.480 422 25 8757 1 2.57 3.1102 11.680 422 25 8759 1 2.77 2.3506 11.556 422 25 8899 1 2.67 2.5697 12.463 ## Starting information for simulation # 26 ## Starting information for simulation # 27 ## Starting information for simulation # 28 422 28 7369 1 2.84 2.7638 9.549 ## Starting information for simulation # 29 ## Starting information for simulation # 30 ## Starting information for simulation # 31 ## Starting information for simulation # 32 ## Starting information for simulation # 33 422 33 32 1 2.82 2.3102 13.511 422 33 33 1 2.71 2.8249 12.930 422 33 34 1 2.85 2.6925 12.681 422 33 194 1 2.85 2.6338 13.052 422 33 199 1 2.85 2.7421 13.335 422 33 1443 1 2.69 2.7288 13.007 422 33 1444 1 2.87 2.7549 13.146 422 33 1445 1 2.76 2.8187 13.273 422 33 1446 1 2.76 2.8993 12.985 422 33 1699 1 2.65 2.6044 13.192 422 33 2904 1 2.99 2.6299 12.990 422 33 2905 1 2.90 2.7350 13.158 422 33 2906 1 2.51 2.9158 12.975 422 33 2907 1 2.85 2.5145 13.889 422 33 2908 1 2.91 2.9512 13.227 422 33 2909 1 2.95 2.5487 13.116 422 33 2910 1 2.68 2.6631 12.939 422 33 2911 1 2.94 2.9480 12.861 422 33 4039 1 2.85 2.9019 13.508 ## Starting information for simulation # 34 ## Starting information for simulation # 35 ## Starting information for simulation # 36