0 mol 2 unq 0 iso 0 dist 8.5893 4.00237 5.74846 8.29974 6.13615 4.93584 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 8.29974 4.00237 4.93584 8.5893 6.13615 5.74846 numMergedOcc 0
2 mol 2 unq 2 iso 0 dist 5.88525 6.42073 5.74846 8.73586 6.13615 4.93584 numMergedOcc 0
3 mol 2 unq 3 iso 0 dist 8.73586 6.42073 4.93584 5.88525 6.13615 5.74846 numMergedOcc 0
4 mol 20 unq 0 iso 0 dist 7.68085 10.7036 8.65986 11.6528 4.0782 9.38691 numMergedOcc 0
5 mol 20 unq 1 iso 0 dist 7.68085 10.7036 8.65986 8.45034 4.11329 9.74724 numMergedOcc 0
6 mol 20 unq 2 iso 0 dist 7.68085 10.0419 9.39462 8.45034 4.11329 9.13347 numMergedOcc 0
7 mol 20 unq 3 iso 0 dist 8.45034 10.7036 9.74724 11.6528 6.55479 9.38691 numMergedOcc 0
8 mol 20 unq 4 iso 0 dist 8.45034 10.7036 9.74724 7.68085 4.11329 8.65986 numMergedOcc 0
9 mol 20 unq 5 iso 0 dist 8.45034 10.0419 9.13347 7.68085 4.11329 9.39462 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 9.739 14.5346 9.86479 16.4872 7.24261 8.70827 numMergedOcc 0
11 mol 85 unq 0 iso 0 dist 9.27456 15.5854 9.43843 12.9371 3.94863 8.87977 numMergedOcc 0
12 mol 91 unq 0 iso 0 dist 4.83495 7.62353 5.16779 5.11803 4.05115 6.69121 numMergedOcc 0
13 mol 91 unq 1 iso 0 dist 5.11803 7.62353 6.69121 4.83495 4.05115 5.16779 numMergedOcc 0
14 mol 152 unq 0 iso 0 dist 9.06801 12.8334 7.78215 22.4162 15.2465 9.981 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 9.19804 6.10428 9.82522 12.1754 5.46363 9.69903 numMergedOcc 0
16 mol 157 unq 0 iso 0 dist 9.9803 9.75069 9.27485 12.9126 7.44268 5.32542 numMergedOcc 0
17 mol 157 unq 1 iso 0 dist 6.09357 6.11737 5.32542 10.5559 7.44268 9.27485 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 9.67328 5.83113 5.69652 13.0816 5.97362 8.42716 numMergedOcc 0
19 mol 230 unq 0 iso 0 dist 8.74988 6.2863 8.89873 11.1818 7.09965 8.46558 numMergedOcc 0
20 mol 268 unq 0 iso 0 dist 6.9226 3.43113 6.38058 10.3769 3.96152 9.5334 numMergedOcc 0
21 mol 283 unq 0 iso 0 dist 7.81415 6.35533 9.90494 11.7945 12.4866 5.90121 numMergedOcc 0
