0 mol 9 unq 0 iso 0 dist 6.76332 8.46229 5.41626 7.36079 5.87266 7.05346 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 7.85573 7.78905 6.07691 7.37043 8.6578 7.52117 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 6.21423 9.44909 6.07691 6.36853 8.6578 7.52117 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.67403 8.46556 11.5608 14.3446 5.01022 16.2345 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 9.35188 9.21173 7.18373 18.2639 9.51347 15.6299 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 9.81273 4.99966 10.6649 5.71094 6.51666 9.44561 numMergedOcc 0
6 mol 103 unq 1 iso 0 dist 6.67575 4.99966 6.35372 5.71094 8.21549 9.44561 numMergedOcc 0
7 mol 108 unq 0 iso 0 dist 9.82453 8.77983 5.3016 8.04595 9.00216 10.9016 numMergedOcc 0
8 mol 108 unq 1 iso 0 dist 9.82453 8.77983 5.3016 5.83608 9.88683 11.7551 numMergedOcc 0
9 mol 108 unq 2 iso 0 dist 8.79452 8.77983 5.79574 8.04595 9.83301 10.9016 numMergedOcc 0
10 mol 162 unq 0 iso 0 dist 8.77869 8.25167 6.71523 5.49559 7.34321 8.00506 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.71223 8.96988 9.653 11.5511 9.51006 12.6244 numMergedOcc 0
12 mol 234 unq 0 iso 0 dist 9.36753 7.86368 6.16697 6.83465 4.7359 7.5366 numMergedOcc 0
13 mol 250 unq 0 iso 0 dist 8.62074 9.16048 10.3268 6.97343 8.40871 11.4622 numMergedOcc 0
