0 mol 32 unq 0 iso 0 dist 8.85083 8.01438 6.89423 14.2574 8.78511 12.9345 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 6.6367 5.95619 7.62814 7.72003 9.41463 13.2646 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 9.63946 12.9438 7.62814 11.2137 9.41463 13.2646 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 5.38363 4.18064 9.13024 5.29207 9.08745 6.98976 numMergedOcc 0
4 mol 70 unq 0 iso 0 dist 8.86253 12.4294 5.05263 4.40298 7.99194 9.91799 numMergedOcc 0
5 mol 70 unq 1 iso 0 dist 8.86253 12.4294 5.05263 5.42458 7.80313 9.70034 numMergedOcc 0
6 mol 101 unq 0 iso 0 dist 9.05284 4.45934 6.54699 12.1065 9.33112 10.7386 numMergedOcc 0
7 mol 107 unq 0 iso 0 dist 7.09988 14.9335 9.4238 7.15039 5.31375 10.1677 numMergedOcc 0
8 mol 107 unq 1 iso 0 dist 7.09988 14.9335 9.4238 12.4206 6.49371 10.1326 numMergedOcc 0
9 mol 107 unq 2 iso 0 dist 7.73898 14.8635 9.4238 4.80846 5.31375 10.1677 numMergedOcc 0
10 mol 107 unq 3 iso 0 dist 7.73898 14.8635 9.4238 9.55354 6.49371 10.1326 numMergedOcc 0
11 mol 116 unq 0 iso 0 dist 8.83566 4.39917 7.70636 12.2757 9.87354 10.5814 numMergedOcc 0
12 mol 116 unq 1 iso 0 dist 8.83566 7.43565 6.82267 12.2757 9.87354 15.5585 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 9.22913 6.35915 7.74168 11.0797 9.92715 9.00263 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 4.88723 5.68283 9.91132 4.13718 8.07678 6.6483 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 8.86574 4.95637 7.62945 6.21482 9.34653 9.55695 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 9.32969 9.68942 7.26295 13.385 4.45769 11.023 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 9.32969 9.68942 7.26295 17.9971 8.99961 12.3736 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 8.15587 5.32036 5.8294 10.4563 9.36334 6.38603 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 7.4717 8.32779 8.06328 3.70516 9.07313 6.13343 numMergedOcc 0
20 mol 285 unq 0 iso 0 dist 5.93983 14.0493 8.38399 7.67857 7.73438 13.1313 numMergedOcc 0
