0 mol 16 unq 0 iso 0 dist 9.57671 9.91407 7.65729 11.9868 5.39064 6.29703 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 4.22514 9.45804 6.10175 6.13476 5.65405 5.59773 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 8.44257 4.46881 4.96897 8.46609 6.96065 5.83937 numMergedOcc 0
3 mol 66 unq 0 iso 0 dist 8.58798 8.89633 9.31938 11.8937 6.90892 9.37957 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 5.85783 5.52318 8.6728 11.3381 10.602 7.38759 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 6.56066 13.1203 8.592 10.7548 4.24853 7.25166 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 6.56066 13.1203 8.592 9.84539 9.52181 8.42445 numMergedOcc 0
7 mol 126 unq 0 iso 0 dist 9.61698 8.00525 9.40608 12.94 5.50061 9.54928 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 7.71664 4.59384 7.86001 12.2255 10.7254 8.54461 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 7.71664 4.59384 7.86001 7.94863 5.63567 7.83619 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 9.85256 7.07676 8.78008 15.8833 10.9742 9.37996 numMergedOcc 0
11 mol 249 unq 0 iso 0 dist 8.27285 4.58432 5.66519 9.63827 6.47697 5.78121 numMergedOcc 0
12 mol 249 unq 1 iso 0 dist 8.27285 4.58432 5.66519 11.3663 8.68833 7.29898 numMergedOcc 0
13 mol 249 unq 2 iso 0 dist 8.27285 5.29321 6.50067 11.3663 8.68833 8.91685 numMergedOcc 0
14 mol 265 unq 0 iso 0 dist 8.54733 13.0023 8.19772 5.89409 4.36105 9.59213 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 8.69635 4.33461 5.68643 11.7956 7.48637 9.91395 numMergedOcc 0
16 mol 274 unq 1 iso 0 dist 8.69635 9.79322 8.36043 14.5101 8.13367 9.81815 numMergedOcc 0
17 mol 274 unq 2 iso 0 dist 7.86884 14.4918 8.05503 18.4491 10.9974 7.79904 numMergedOcc 0
18 mol 274 unq 3 iso 0 dist 7.86884 14.4918 8.05503 22.1945 16.897 9.02749 numMergedOcc 0
19 mol 274 unq 4 iso 0 dist 9.37874 16.8001 9.2447 10.6305 6.12463 9.696 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.4945 6.00086 7.98871 6.70123 7.0797 9.98528 numMergedOcc 0
21 mol 280 unq 0 iso 0 dist 7.11605 15.3737 9.9227 12.4467 5.80223 8.85762 numMergedOcc 0
