0 mol 26 unq 0 iso 0 dist 9.97991 5.21951 6.38243 13.1538 12.4814 8.97754 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 9.48391 15.0868 8.05514 19.8977 13.0221 8.19932 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 5.89661 10.5249 7.8435 15.742 12.5638 6.67678 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 5.89661 10.5249 7.8435 14.7821 12.4215 7.24956 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 5.89661 10.5249 7.8435 11.8564 5.99863 8.28591 numMergedOcc 0
5 mol 93 unq 3 iso 0 dist 5.89661 10.5249 7.8435 10.866 6.15015 9.40687 numMergedOcc 0
6 mol 93 unq 4 iso 0 dist 5.89661 10.3971 5.99269 11.8564 5.99863 5.35008 numMergedOcc 0
7 mol 93 unq 5 iso 0 dist 5.89661 10.3971 5.99269 10.866 6.15015 8.84576 numMergedOcc 0
8 mol 93 unq 6 iso 0 dist 5.89661 8.75661 5.71763 11.8564 5.99863 8.30921 numMergedOcc 0
9 mol 93 unq 7 iso 0 dist 5.89661 8.75661 5.71763 10.866 6.15015 7.39732 numMergedOcc 0
10 mol 93 unq 8 iso 0 dist 5.89661 8.75661 5.71763 15.2924 10.9803 9.67744 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 7.20629 9.24957 9.6121 12.8974 10.7475 4.55071 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 9.7578 14.7654 8.999 20.3898 11.6193 9.68512 numMergedOcc 0
13 mol 171 unq 1 iso 0 dist 9.85967 13.1165 8.999 16.6184 11.6193 9.68512 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 5.31166 6.3473 8.57801 10.8631 9.28201 8.92135 numMergedOcc 0
15 mol 222 unq 0 iso 0 dist 7.11989 11.0888 7.97027 15.6959 9.06039 9.79673 numMergedOcc 0
16 mol 222 unq 1 iso 0 dist 7.11989 11.0888 7.97027 8.33245 3.98816 6.39673 numMergedOcc 0
17 mol 222 unq 2 iso 0 dist 7.11989 6.80198 4.9876 8.33245 3.98816 7.80676 numMergedOcc 0
18 mol 225 unq 0 iso 0 dist 9.42463 16.704 9.57955 17.4462 8.38864 8.74463 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 9.54836 8.52745 6.02757 16.3205 8.89888 9.87744 numMergedOcc 0
20 mol 279 unq 0 iso 0 dist 7.84195 5.03747 5.8304 5.16266 7.93548 4.98693 numMergedOcc 0
21 mol 279 unq 1 iso 0 dist 9.2174 9.59972 5.8304 12.1408 7.93548 4.98693 numMergedOcc 0
