0 mol 56 unq 0 iso 0 dist 8.70353 11.6619 8.63486 19.0874 14.6671 8.54845 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 6.48339 5.44752 8.64015 10.2259 9.70283 6.46655 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 6.98059 12.0258 5.74854 5.1232 5.09562 8.20865 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 5.63127 5.58126 5.74854 4.76168 5.09562 8.20865 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 8.56617 4.61737 9.7918 11.4344 12.0204 8.19156 numMergedOcc 0
5 mol 154 unq 0 iso 0 dist 6.89591 10.8466 7.72144 18.4775 13.8936 9.04554 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 9.12102 6.15341 7.20574 10.073 8.19136 7.45401 numMergedOcc 0
7 mol 186 unq 1 iso 0 dist 9.12102 9.77429 6.85302 15.6935 8.88762 6.86297 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 7.00964 9.70811 6.85441 13.3802 12.0796 7.7292 numMergedOcc 0
9 mol 204 unq 1 iso 0 dist 9.08318 4.65392 6.85441 8.68482 12.0796 7.7292 numMergedOcc 0
10 mol 212 unq 0 iso 0 dist 8.18732 4.84098 8.57827 13.1772 13.7645 9.1384 numMergedOcc 0
11 mol 212 unq 1 iso 0 dist 8.18732 6.68718 6.29767 13.1772 13.7645 7.87125 numMergedOcc 0
12 mol 212 unq 2 iso 0 dist 5.90507 5.19318 8.74585 8.53152 6.39716 7.87125 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 8.08402 4.71355 7.05523 7.7874 4.08418 7.77535 numMergedOcc 0
14 mol 229 unq 0 iso 0 dist 5.67652 6.23286 5.77318 5.95601 7.57247 8.0007 numMergedOcc 0
15 mol 229 unq 1 iso 0 dist 5.67652 5.132 8.19603 10.1068 5.77507 9.92027 numMergedOcc 0
16 mol 230 unq 0 iso 0 dist 7.03084 11.624 6.41286 11.3096 5.02022 8.33847 numMergedOcc 0
17 mol 230 unq 1 iso 0 dist 7.03084 11.624 6.41286 16.6601 9.81615 9.12305 numMergedOcc 0
18 mol 264 unq 0 iso 0 dist 8.43465 10.2047 6.42588 13.0545 5.04055 6.80096 numMergedOcc 0
19 mol 285 unq 0 iso 0 dist 6.98595 5.23192 5.31728 11.9454 11.8763 7.66291 numMergedOcc 0
20 mol 285 unq 1 iso 0 dist 8.32103 9.00041 5.31728 15.7484 11.8763 7.66291 numMergedOcc 0
