0 mol 39 unq 0 iso 0 dist 9.04819 6.8413 9.48031 11.8067 5.93538 8.57165 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 7.97558 12.0234 9.62637 16.9013 10.493 7.95778 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.88172 15.7855 9.11258 21.0759 13.9844 7.93481 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.2131 5.02124 7.1539 10.4726 7.75408 9.28578 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 7.44343 5.02124 5.39745 10.4726 12.1199 9.28578 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 7.78223 12.097 9.83981 17.4509 11.4429 8.11094 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 6.13508 8.00732 7.26955 12.4307 7.34151 9.05798 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 6.13508 8.00732 7.26955 13.5289 11.7884 5.85818 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 5.80404 10.546 8.21165 15.0445 9.78763 8.07135 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 7.80701 4.72977 6.21403 9.26525 13.5292 8.77898 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 8.44423 16.5096 8.84087 15.2671 7.33607 8.27673 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 8.44423 13.7948 6.32615 15.2671 7.33607 7.74431 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 6.16169 13.6359 8.84087 13.316 7.33607 8.27673 numMergedOcc 0
13 mol 134 unq 4 iso 0 dist 6.16169 10.1365 6.32615 13.316 7.33607 7.74431 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 5.75595 6.50232 6.46089 13.4123 11.5146 8.1582 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 5.75595 6.50232 6.46089 10.3832 6.60479 7.88655 numMergedOcc 0
16 mol 189 unq 0 iso 0 dist 9.71563 9.43679 9.33695 10.1339 6.16643 9.6013 numMergedOcc 0
17 mol 189 unq 1 iso 0 dist 9.71563 5.87044 6.31466 10.1339 6.16643 8.32712 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 5.4347 5.28695 7.02079 13.8293 12.6361 8.8827 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 9.69025 15.1483 8.71497 11.5672 6.31909 6.39918 numMergedOcc 0
