0 mol 113 unq 0 iso 0 dist 6.38269 7.11196 2.75715 12.0115 7.96893 10.3461 numMergedOcc 0
1 mol 120 unq 0 iso 0 dist 7.64841 8.31527 5.26524 9.0362 8.03124 11.0505 numMergedOcc 0
2 mol 123 unq 0 iso 0 dist 9.54257 8.7474 7.72737 7.85134 8.30974 12.2092 numMergedOcc 0
3 mol 129 unq 0 iso 0 dist 5.5917 5.24806 3.11116 5.47042 7.93106 9.05575 numMergedOcc 0
4 mol 129 unq 1 iso 0 dist 5.5917 5.24806 3.11116 4.02665 7.04904 5.06053 numMergedOcc 0
5 mol 129 unq 2 iso 0 dist 5.24806 5.5917 3.11116 5.47042 9.05575 7.93106 numMergedOcc 0
6 mol 129 unq 3 iso 0 dist 5.24806 5.5917 3.11116 4.02665 5.06053 7.04904 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 8.19926 7.82717 6.13455 11.641 9.14525 14.6925 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 8.19926 9.02402 15.0775 11.641 9.14525 16.348 numMergedOcc 0
9 mol 220 unq 0 iso 0 dist 8.73456 9.54857 3.22387 6.85536 8.60252 9.19289 numMergedOcc 0
10 mol 236 unq 0 iso 0 dist 8.32786 5.09952 11.7483 5.5177 9.58816 10.2926 numMergedOcc 0
11 mol 236 unq 1 iso 0 dist 5.09952 8.32786 11.7483 7.34037 8.69334 11.2757 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 8.95095 8.86773 8.91869 12.7366 9.60767 13.5338 numMergedOcc 0
13 mol 281 unq 0 iso 0 dist 8.78416 9.22428 3.77058 6.85714 6.82918 4.29351 numMergedOcc 0
14 mol 281 unq 1 iso 0 dist 9.22428 8.78416 3.77058 16.6962 9.13909 11.9913 numMergedOcc 0
15 mol 281 unq 2 iso 0 dist 9.22428 8.78416 3.77058 6.85714 4.29351 6.82918 numMergedOcc 0
16 mol 294 unq 0 iso 0 dist 6.82335 7.33086 4.76434 5.90162 9.64969 11.6919 numMergedOcc 0
17 mol 294 unq 1 iso 0 dist 6.82335 7.88971 10.769 5.90162 9.64969 12.0085 numMergedOcc 0
18 mol 294 unq 2 iso 0 dist 9.14005 9.32126 4.76434 8.68297 9.64969 11.6919 numMergedOcc 0
19 mol 294 unq 3 iso 0 dist 9.14005 9.38111 10.769 8.68297 9.64969 12.0085 numMergedOcc 0
