0 mol 8 unq 0 iso 0 dist 8.76702 7.70793 12.1308 15.7209 20.1569 8.77457 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.27477 7.70793 5.02333 15.7209 12.2927 8.77457 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 9.61029 9.32113 15.8943 8.08257 11.9684 6.74848 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 8.59022 5.06773 9.9817 10.5918 16.5699 7.03307 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 8.59022 5.06773 9.9817 8.16312 16.0933 7.25707 numMergedOcc 0
5 mol 44 unq 2 iso 0 dist 8.54284 8.2444 9.9817 14.6127 16.5699 7.03307 numMergedOcc 0
6 mol 44 unq 3 iso 0 dist 8.54284 8.2444 9.9817 12.3178 16.0933 7.25707 numMergedOcc 0
7 mol 52 unq 0 iso 0 dist 7.68916 8.96804 6.61767 12.1241 13.7382 9.80143 numMergedOcc 0
8 mol 52 unq 1 iso 0 dist 7.47417 7.23669 6.61767 7.37655 13.7382 9.80143 numMergedOcc 0
9 mol 53 unq 0 iso 0 dist 7.80805 7.61675 8.64107 11.8798 14.8992 7.75295 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 7.04193 9.57633 7.40296 11.7158 12.9819 6.62229 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 7.15486 9.57633 6.37648 11.7158 9.86039 6.62229 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 8.52969 9.57633 15.935 11.7158 18.8985 6.62229 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.59784 9.89116 3.78311 8.66162 6.52773 8.8562 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.59784 9.89116 3.78311 6.71925 9.23858 7.91683 numMergedOcc 0
15 mol 143 unq 0 iso 0 dist 8.72463 7.52352 10.8441 10.4027 9.14266 6.95372 numMergedOcc 0
16 mol 153 unq 0 iso 0 dist 9.56587 7.87611 6.31943 5.84134 11.8199 7.3061 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 7.36642 9.8747 5.54129 10.038 9.53629 5.95375 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 7.36642 8.01082 5.28092 10.038 9.53629 9.17946 numMergedOcc 0
19 mol 213 unq 0 iso 0 dist 8.10356 9.95628 16.657 13.2163 20.2375 8.42053 numMergedOcc 0
20 mol 213 unq 1 iso 0 dist 6.77104 9.95628 5.84474 13.2163 11.8631 8.42053 numMergedOcc 0
