0 mol 5 unq 0 iso 0 dist 9.64713 8.70824 16.6809 5.2392 5.30596 11.3755 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 9.64713 5.93404 10.5655 5.2392 5.30596 5.90479 numMergedOcc 0
2 mol 5 unq 2 iso 0 dist 9.64713 6.70655 8.88196 5.2392 5.30596 4.59167 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.62527 6.67455 5.02457 9.90986 8.90517 4.80254 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 7.45133 9.84967 12.0187 8.98564 9.66828 11.4985 numMergedOcc 0
5 mol 30 unq 1 iso 0 dist 7.45133 9.84967 12.0187 7.51725 9.99681 5.56089 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 7.52915 9.14072 14.4289 5.41774 9.90229 4.55422 numMergedOcc 0
7 mol 63 unq 0 iso 0 dist 9.99115 7.09184 5.31186 8.28839 10.9175 5.66383 numMergedOcc 0
8 mol 63 unq 1 iso 0 dist 9.99115 7.09184 5.31186 7.07396 5.4638 4.5476 numMergedOcc 0
9 mol 81 unq 0 iso 0 dist 7.41802 8.9672 7.51604 5.73799 4.85657 3.82386 numMergedOcc 0
10 mol 81 unq 1 iso 0 dist 7.41802 8.9672 7.51604 8.38883 8.72274 11.9686 numMergedOcc 0
11 mol 81 unq 2 iso 0 dist 7.41802 9.80754 11.7577 5.73799 4.85657 11.4429 numMergedOcc 0
12 mol 81 unq 3 iso 0 dist 7.41802 9.80754 11.7577 8.38883 8.72274 4.54161 numMergedOcc 0
13 mol 154 unq 0 iso 0 dist 8.5081 8.65008 9.3097 5.06116 5.32843 7.59527 numMergedOcc 0
14 mol 155 unq 0 iso 0 dist 7.49276 9.22494 4.68591 7.25009 10.541 12.7495 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 9.9224 5.21088 8.02909 7.93715 14.4241 6.62595 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 9.9224 9.78743 12.1423 7.93715 14.4241 13.2141 numMergedOcc 0
17 mol 192 unq 2 iso 0 dist 9.9224 8.25609 12.357 7.93715 14.4241 12.1003 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 9.39697 9.35664 5.87625 9.48766 9.72539 6.04748 numMergedOcc 0
19 mol 195 unq 1 iso 0 dist 4.86882 9.35664 8.32665 9.48766 5.49738 6.04748 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 8.19381 9.06357 13.4361 9.11416 14.199 16.2635 numMergedOcc 0
21 mol 244 unq 1 iso 0 dist 8.93421 9.06357 5.39827 9.11416 15.195 16.2635 numMergedOcc 0
22 mol 244 unq 2 iso 0 dist 7.35657 9.06357 5.10436 9.11416 16.1506 16.2635 numMergedOcc 0
23 mol 244 unq 3 iso 0 dist 6.19605 9.06357 7.77495 9.11416 9.34983 16.2635 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 7.67032 9.73763 4.8694 8.41945 5.03747 5.75039 numMergedOcc 0
