0 mol 35 unq 0 iso 0 dist 6.16132 9.466 8.72582 5.55901 6.17207 4.08654 numMergedOcc 0
1 mol 88 unq 0 iso 0 dist 5.74637 7.74197 13.1838 6.64933 5.05425 11.9839 numMergedOcc 0
2 mol 88 unq 1 iso 0 dist 5.74637 7.74197 13.1838 8.67727 9.08073 11.2929 numMergedOcc 0
3 mol 88 unq 2 iso 0 dist 5.74637 7.86537 12.6939 6.64933 5.05425 10.6664 numMergedOcc 0
4 mol 88 unq 3 iso 0 dist 5.74637 7.86537 12.6939 8.67727 9.08073 9.259 numMergedOcc 0
5 mol 88 unq 4 iso 0 dist 5.74637 6.35462 6.63027 6.64933 5.05425 4.79268 numMergedOcc 0
6 mol 88 unq 5 iso 0 dist 5.74637 6.35462 6.63027 8.67727 9.08073 6.3984 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 9.00166 8.7366 6.04014 5.25894 9.37399 6.6218 numMergedOcc 0
8 mol 132 unq 1 iso 0 dist 7.16287 8.7366 10.0823 5.25894 3.8377 6.6218 numMergedOcc 0
9 mol 139 unq 0 iso 0 dist 5.77343 6.34417 4.78289 9.15824 5.58161 7.93652 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 7.7013 8.58906 5.52686 9.52193 7.64428 3.98983 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 6.9705 9.66407 5.17719 8.00931 6.45902 4.0303 numMergedOcc 0
12 mol 185 unq 0 iso 0 dist 8.2968 9.878 10.3307 6.83972 7.4828 4.84598 numMergedOcc 0
13 mol 185 unq 1 iso 0 dist 8.2968 9.878 10.3307 6.70069 8.95729 7.73092 numMergedOcc 0
14 mol 187 unq 0 iso 0 dist 5.82577 9.36086 4.98423 5.14547 4.8196 6.93763 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 8.65468 7.16386 9.18673 8.89394 6.05969 7.36923 numMergedOcc 0
16 mol 266 unq 0 iso 0 dist 7.51446 8.12852 9.80419 9.58747 5.32558 10.4209 numMergedOcc 0
17 mol 266 unq 1 iso 0 dist 7.51446 8.12852 9.80419 7.50074 8.85331 12.6608 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 6.28023 9.09967 5.7574 9.35835 6.50006 6.74599 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 6.28023 8.49076 7.23876 9.35835 6.50006 12.292 numMergedOcc 0
