0 mol 26 unq 0 iso 0 dist 6.32127 9.77186 9.5053 7.54282 4.76998 6.38243 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 7.43804 12.4403 8.43352 8.71558 3.94967 8.75597 numMergedOcc 0
2 mol 116 unq 0 iso 0 dist 7.85045 5.83414 8.79367 10.1647 3.82942 9.31005 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 9.10479 8.3604 7.91683 17.4864 13.3563 9.6121 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 9.10479 8.3604 7.91683 15.8172 15.7711 9.57341 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 8.74658 13.4383 8.50562 17.1053 10.9311 6.78801 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 9.14007 5.74529 6.94988 11.6751 10.1551 6.77921 numMergedOcc 0
7 mol 162 unq 0 iso 0 dist 9.90113 8.33753 7.58035 8.64101 9.03836 7.86766 numMergedOcc 0
8 mol 182 unq 0 iso 0 dist 8.04856 9.14827 8.52103 9.92102 7.17714 7.88014 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.38735 5.26093 4.5271 12.2277 3.87169 7.04815 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 9.38735 5.26093 4.5271 9.43325 5.65634 6.07389 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 8.89293 5.26093 7.02575 12.2277 8.65911 7.04815 numMergedOcc 0
12 mol 186 unq 3 iso 0 dist 8.89293 5.26093 7.02575 9.43325 3.87082 6.07389 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 9.47112 12.8469 5.95375 16.6908 7.25932 7.53395 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 8.37652 7.45292 8.88664 7.17095 4.00869 7.97027 numMergedOcc 0
15 mol 222 unq 1 iso 0 dist 8.37652 7.45292 8.88664 13.9316 12.2233 6.81955 numMergedOcc 0
16 mol 222 unq 2 iso 0 dist 8.37652 7.45292 8.88664 11.101 9.60662 4.9876 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 8.85568 5.98086 7.95359 10.3181 4.29073 9.71916 numMergedOcc 0
18 mol 250 unq 0 iso 0 dist 9.5174 9.67078 5.93798 9.41222 6.40609 6.93875 numMergedOcc 0
19 mol 272 unq 0 iso 0 dist 5.9131 7.94696 8.13034 16.194 16.0925 9.30437 numMergedOcc 0
20 mol 272 unq 1 iso 0 dist 8.16917 12.6613 8.13034 17.0193 16.0925 9.30437 numMergedOcc 0
