0 mol 12 unq 0 iso 0 dist 7.4036 11.6972 6.96422 12.3441 5.0983 8.37562 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.53735 5.19563 7.22361 6.25761 10.4631 9.03539 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.53735 5.19563 7.22361 9.02604 4.77336 8.50339 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.34599 14.7857 7.22361 11.7328 10.4631 9.03539 numMergedOcc 0
4 mol 26 unq 3 iso 0 dist 9.34599 14.7857 7.22361 12.0755 4.77336 8.50339 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 5.0478 5.59128 6.30987 7.34695 5.01159 8.41365 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 7.52378 6.48665 5.84875 8.65949 3.85135 9.33168 numMergedOcc 0
7 mol 56 unq 1 iso 0 dist 7.52378 6.48665 5.84875 4.76164 4.936 7.93388 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.7389 11.0222 7.03226 13.0529 4.80291 6.22513 numMergedOcc 0
9 mol 116 unq 0 iso 0 dist 7.85045 9.53721 6.49383 14.9435 7.11876 9.88812 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 5.80081 9.31967 4.25566 11.2656 6.69013 8.10681 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 5.80081 10.5556 6.63171 11.2656 6.69013 4.69823 numMergedOcc 0
12 mol 141 unq 2 iso 0 dist 9.45931 14.0561 7.31037 21.1584 12.7134 8.10681 numMergedOcc 0
13 mol 141 unq 3 iso 0 dist 6.49728 9.31967 7.31037 11.2656 12.7134 8.10681 numMergedOcc 0
14 mol 159 unq 0 iso 0 dist 8.65596 5.20397 8.52082 11.3603 9.90351 6.68441 numMergedOcc 0
15 mol 188 unq 0 iso 0 dist 6.1338 7.47532 9.33696 12.951 9.80942 8.61217 numMergedOcc 0
16 mol 188 unq 1 iso 0 dist 6.1338 7.47532 9.33696 16.8698 17.4486 9.56587 numMergedOcc 0
17 mol 253 unq 0 iso 0 dist 7.06589 10.6548 9.58354 8.0425 5.01342 6.52138 numMergedOcc 0
18 mol 253 unq 1 iso 0 dist 8.70383 3.494 9.58354 7.0141 5.01342 6.52138 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 7.37358 10.1998 9.24367 9.38614 4.99186 6.10834 numMergedOcc 0
20 mol 279 unq 1 iso 0 dist 7.37358 10.1998 9.24367 14.0128 8.17282 8.24233 numMergedOcc 0
21 mol 279 unq 2 iso 0 dist 7.37358 10.1998 9.24367 18.0792 14.2536 8.50767 numMergedOcc 0
