0 mol 28 unq 0 iso 0 dist 7.84283 4.50098 7.82759 5.66828 3.97968 5.42412 numMergedOcc 0
1 mol 32 unq 0 iso 0 dist 8.57776 4.63894 6.89423 10.987 4.75331 7.72377 numMergedOcc 0
2 mol 32 unq 1 iso 0 dist 7.59933 3.24351 6.89423 9.63542 4.75331 7.72377 numMergedOcc 0
3 mol 32 unq 2 iso 0 dist 6.32082 8.20452 6.93709 11.1661 7.66677 5.42426 numMergedOcc 0
4 mol 32 unq 3 iso 0 dist 6.32082 8.20452 6.93709 11.5002 10.2379 8.03553 numMergedOcc 0
5 mol 32 unq 4 iso 0 dist 6.93878 8.20452 6.38271 11.1661 5.46097 5.42426 numMergedOcc 0
6 mol 32 unq 5 iso 0 dist 6.93878 8.20452 6.38271 11.5002 5.27549 8.03553 numMergedOcc 0
7 mol 79 unq 0 iso 0 dist 7.15006 10.3999 7.60619 9.05293 5.46484 6.64921 numMergedOcc 0
8 mol 99 unq 0 iso 0 dist 9.59078 4.05486 6.55815 14.0132 8.78373 9.98601 numMergedOcc 0
9 mol 171 unq 0 iso 0 dist 6.01062 4.71092 6.93017 10.6399 9.89828 9.73554 numMergedOcc 0
10 mol 171 unq 1 iso 0 dist 6.01062 4.71092 6.93017 11.2714 11.4926 8.65769 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 9.44323 9.19675 9.95907 10.4875 10.5221 9.60931 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 5.24705 3.31938 5.8294 5.8391 7.8719 8.98633 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 6.74945 10.9557 8.67956 12.2599 6.13765 8.06847 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 5.15585 8.77645 8.67956 9.37804 6.13765 8.06847 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 6.84692 5.9338 7.14918 7.95378 4.56036 4.44509 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 6.84692 8.28284 9.29322 11.7882 13.9377 5.4687 numMergedOcc 0
17 mol 268 unq 0 iso 0 dist 8.27194 4.96307 5.01283 10.4019 6.12497 5.49906 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 9.62793 5.28038 9.57637 9.53867 10.154 5.55176 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 9.62793 5.28038 9.57637 9.53867 10.154 5.55176 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 9.62793 5.28038 9.57637 9.53867 10.154 5.55176 numMergedOcc 0
