0 mol 8 unq 0 iso 0 dist 9.11545 13.8674 6.92865 17.9878 8.95363 7.8922 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.79758 7.65931 7.84393 10.0243 4.93362 6.36455 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 9.80157 6.7276 8.23292 11.1192 5.33732 6.6492 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 9.32273 6.60662 8.54845 10.5855 14.6671 8.63486 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.1232 12.0258 8.20865 6.98059 5.09562 5.74854 numMergedOcc 0
5 mol 98 unq 1 iso 0 dist 4.76168 5.58126 8.20865 5.63127 5.09562 5.74854 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.25015 6.6622 8.19156 12.4078 12.0204 9.7918 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 7.88346 12.628 7.5984 10.7752 11.1239 8.41611 numMergedOcc 0
8 mol 143 unq 1 iso 0 dist 7.88346 12.628 7.5984 17.4534 14.3979 7.63338 numMergedOcc 0
9 mol 143 unq 2 iso 0 dist 7.88346 12.628 7.5984 14.3291 9.05442 9.03707 numMergedOcc 0
10 mol 143 unq 3 iso 0 dist 7.88346 12.628 7.5984 17.5493 12.1804 7.25673 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.9867 5.22923 6.86297 11.0689 8.88762 6.85302 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 8.9867 5.22923 6.86297 14.5384 7.55335 9.98215 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 8.68482 4.65392 7.7292 9.08318 12.0796 6.85441 numMergedOcc 0
14 mol 212 unq 0 iso 0 dist 8.53152 6.05846 9.1384 9.94185 13.7645 8.57827 numMergedOcc 0
15 mol 212 unq 1 iso 0 dist 8.53152 5.19318 7.87125 9.94185 13.7645 6.29767 numMergedOcc 0
16 mol 212 unq 2 iso 0 dist 8.53152 5.19318 7.87125 5.90507 6.39716 8.74585 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 7.7874 4.71355 7.77535 8.08402 4.08418 7.05523 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 9.64006 15.7646 8.9077 12.9576 5.41948 5.45036 numMergedOcc 0
19 mol 220 unq 1 iso 0 dist 9.64006 15.7646 8.9077 16.6884 15.1445 9.97586 numMergedOcc 0
20 mol 229 unq 0 iso 0 dist 5.95601 6.23286 8.0007 5.67652 7.57247 5.77318 numMergedOcc 0
