0 mol 33 unq 0 iso 0 dist 6.64845 9.88964 9.32796 5.98867 9.70861 7.39968 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 6.64845 7.26522 5.73522 5.98867 9.70861 6.36703 numMergedOcc 0
2 mol 33 unq 2 iso 0 dist 6.64845 7.40467 5.89775 5.98867 9.70861 10.4658 numMergedOcc 0
3 mol 41 unq 0 iso 0 dist 9.88728 7.80685 14.2396 7.16598 9.94672 7.47871 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 9.88728 7.80685 14.2396 7.42476 5.88923 9.60614 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 7.89895 8.23849 12.2139 8.34115 6.36692 8.12741 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 9.54996 8.23849 12.213 8.34115 4.44938 8.12741 numMergedOcc 0
7 mol 68 unq 2 iso 0 dist 7.71942 8.23849 11.9941 8.34115 10.6386 8.12741 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 8.76341 9.64516 8.438 9.58166 5.11518 3.91348 numMergedOcc 0
9 mol 154 unq 0 iso 0 dist 9.2828 7.00443 3.44683 8.76245 17.5486 14.9051 numMergedOcc 0
10 mol 167 unq 0 iso 0 dist 9.50912 9.94406 12.7516 7.84707 12.6838 3.67696 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 5.61752 7.89418 4.78621 9.40138 10.3887 11.8199 numMergedOcc 0
12 mol 186 unq 0 iso 0 dist 4.95355 6.13396 3.84531 8.15495 3.52454 6.30542 numMergedOcc 0
13 mol 192 unq 0 iso 0 dist 5.90008 9.56785 12.4216 7.97601 3.22102 11.8081 numMergedOcc 0
14 mol 192 unq 1 iso 0 dist 5.90008 7.66812 7.0015 7.97601 3.22102 5.51083 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 9.90442 7.07461 16.8277 5.4687 14.8218 5.22417 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 7.8339 7.30709 4.933 4.76164 5.99357 4.05076 numMergedOcc 0
17 mol 268 unq 0 iso 0 dist 8.38444 9.7571 10.2202 5.49906 3.80726 11.0007 numMergedOcc 0
18 mol 268 unq 1 iso 0 dist 7.30388 9.7571 10.4266 5.49906 6.58875 11.0007 numMergedOcc 0
19 mol 268 unq 2 iso 0 dist 8.67339 8.61121 5.78862 9.06348 6.6936 8.69359 numMergedOcc 0
