0 mol 12 unq 0 iso 0 dist 4.49007 4.98378 4.76018 8.59739 4.25774 7.13046 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 7.18409 14.335 7.60283 16.0697 9.51391 8.71752 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 6.21163 8.38749 7.60283 14.3746 9.51391 8.71752 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 7.97558 12.0234 9.62637 11.951 5.69343 7.21995 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 7.97558 6.72134 6.01423 11.951 5.69343 7.70625 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.2131 5.02124 7.1539 7.44343 6.34272 5.39745 numMergedOcc 0
6 mol 92 unq 1 iso 0 dist 7.44343 5.02124 5.39745 7.2131 6.34272 7.1539 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 5.80404 10.546 8.21165 9.98598 4.40317 7.41399 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 5.80404 10.546 8.21165 14.9829 10.8204 8.97945 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 5.80404 10.546 8.21165 18.7851 16.3424 9.50664 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 5.80404 10.546 8.21165 16.2275 12.3323 6.71555 numMergedOcc 0
11 mol 141 unq 0 iso 0 dist 7.35385 10.3678 7.31037 11.8903 6.33946 4.25566 numMergedOcc 0
12 mol 141 unq 1 iso 0 dist 9.80549 8.51234 8.00449 13.3797 4.27704 8.75562 numMergedOcc 0
13 mol 175 unq 0 iso 0 dist 9.27911 5.2437 6.26365 8.57607 4.39517 7.04177 numMergedOcc 0
14 mol 175 unq 1 iso 0 dist 8.57607 5.2437 7.04177 9.27911 4.39517 6.26365 numMergedOcc 0
15 mol 175 unq 2 iso 0 dist 6.53696 8.65486 6.99693 10.9997 6.75531 5.4997 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 5.68253 6.7061 7.22019 12.5509 9.00021 7.94068 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 5.4347 5.28695 7.02079 11.1516 11.3911 5.88802 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 9.76712 6.47178 9.18069 11.0065 8.52019 7.82157 numMergedOcc 0
