0 mol 76 unq 0 iso 0 dist 7.63813 8.65163 5.73235 10.5228 5.22567 7.02854 5.19612 8.92491 8.04327 9.06225 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 9.69413 7.89197 9.06641 8.48921 5.12529 6.6146 9.9082 13.0735 4.59148 9.28585 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 8.61918 13.2228 5.79195 9.71281 5.35551 9.07294 7.49664 6.9268 8.75242 6.85651 numMergedOcc 0
3 mol 133 unq 1 iso 0 dist 8.61918 13.2228 5.79195 9.71281 5.35551 9.07294 14.1334 8.19166 6.45333 7.03858 numMergedOcc 0
4 mol 133 unq 2 iso 0 dist 8.61918 15.392 9.2759 16.3752 10.8516 5.12189 19.3913 11.9103 5.57746 5.68599 numMergedOcc 0
5 mol 133 unq 3 iso 0 dist 8.61918 15.392 9.2759 9.71281 5.35551 7.50126 7.49664 6.9268 14.0828 6.85651 numMergedOcc 0
6 mol 133 unq 4 iso 0 dist 8.61918 15.392 9.2759 9.71281 5.35551 7.50126 14.1334 8.19166 11.5586 7.03858 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 6.25968 10.9848 9.88178 14.045 10.6104 5.33543 15.7788 15.9043 8.22726 9.49104 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 9.89646 12.352 5.32865 12.6009 4.61905 9.13646 10.7499 5.47265 7.75436 8.52428 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 9.9332 10.4422 5.32865 13.921 4.61905 9.13646 9.53448 5.47265 7.75436 8.52428 numMergedOcc 0
10 mol 183 unq 0 iso 0 dist 6.23903 7.14992 8.97652 10.9979 9.01399 7.69421 10.9065 11.0442 4.0252 7.38821 numMergedOcc 0
11 mol 183 unq 1 iso 0 dist 8.22495 10.0544 8.29364 13.5932 6.39127 7.69421 10.7207 7.99897 4.0252 7.38821 numMergedOcc 0
12 mol 183 unq 2 iso 0 dist 8.39603 10.0544 8.97652 13.5932 9.01399 7.69421 10.7207 11.0442 4.0252 7.38821 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 8.27545 4.2039 6.2016 7.74423 5.21255 7.30965 11.9796 9.78743 13.2525 7.252 numMergedOcc 0
14 mol 220 unq 0 iso 0 dist 9.85507 5.58779 6.50756 9.3888 5.82963 8.98362 4.80059 11.7804 9.42128 8.65696 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 6.77267 4.43495 7.58554 10.0379 5.94643 9.59937 7.74816 4.53228 6.54316 8.68803 numMergedOcc 0
16 mol 241 unq 0 iso 0 dist 5.42605 6.5604 7.26758 12.8152 10.9643 9.174 13.1806 12.5814 6.70277 8.15897 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 6.64109 10.9011 7.52632 10.1823 3.89234 9.50814 13.3527 8.01664 5.62902 8.22353 numMergedOcc 0
18 mol 265 unq 1 iso 0 dist 8.57593 10.0903 7.52632 12.4387 3.89234 9.50814 13.514 8.01664 5.62902 8.22353 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 8.95153 7.77559 9.34051 11.9894 10.3702 6.12202 18.028 16.7249 10.4456 7.62562 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 5.25409 5.29391 9.77023 5.47073 7.87494 5.76337 5.42154 10.4239 4.75799 8.82869 numMergedOcc 0
