0 mol 24 unq 0 iso 0 dist 8.3964 8.81498 9.36461 16.4528 13.719 8.62284 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.98746 11.2391 7.03307 18.2483 9.05795 9.17518 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 9.98746 11.2391 7.03307 18.1354 11.814 8.21833 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 6.6186 5.00872 8.57827 10.9413 10.7055 9.20197 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 4.86767 8.16908 9.35942 12.0271 9.47219 8.06525 numMergedOcc 0
5 mol 120 unq 0 iso 0 dist 8.64019 6.87987 6.03352 6.93009 4.51697 8.43028 numMergedOcc 0
6 mol 147 unq 0 iso 0 dist 8.40219 14.4753 7.25644 18.7028 10.7872 5.1101 numMergedOcc 0
7 mol 147 unq 1 iso 0 dist 8.40219 14.4753 7.25644 14.8347 7.66774 7.01133 numMergedOcc 0
8 mol 151 unq 0 iso 0 dist 9.15141 11.9665 4.74531 16.988 8.3622 5.63814 numMergedOcc 0
9 mol 158 unq 0 iso 0 dist 7.23059 6.61554 5.8628 10.3704 6.93752 7.35329 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 8.79832 10.1424 5.89564 12.5642 4.30489 7.01126 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 6.23057 8.43505 5.95375 14.2755 11.8917 9.83885 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 6.23057 11.501 9.17946 14.2755 11.8917 5.42696 numMergedOcc 0
13 mol 272 unq 0 iso 0 dist 8.86801 15.7876 8.13034 13.5351 5.42668 6.98048 numMergedOcc 0
14 mol 272 unq 1 iso 0 dist 7.15093 11.2381 8.13034 11.6756 5.42668 6.98048 numMergedOcc 0
15 mol 278 unq 0 iso 0 dist 9.73172 7.10699 7.21972 16.0481 11.3687 9.80746 numMergedOcc 0
16 mol 278 unq 1 iso 0 dist 9.73172 7.10699 7.21972 10.9256 7.83538 9.48589 numMergedOcc 0
17 mol 282 unq 0 iso 0 dist 8.42086 10.796 8.67489 16.741 9.09482 9.96468 numMergedOcc 0
18 mol 282 unq 1 iso 0 dist 8.42086 10.796 8.67489 13.8771 6.21176 9.59817 numMergedOcc 0
19 mol 282 unq 2 iso 0 dist 7.84236 13.26 8.67489 16.8382 9.09482 9.96468 numMergedOcc 0
20 mol 282 unq 3 iso 0 dist 7.84236 13.26 8.67489 12.8937 6.21176 9.59817 numMergedOcc 0
