0 mol 20 unq 0 iso 0 dist 5.99466 7.14069 6.04869 6.05053 9.07213 12.4598 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 5.99466 8.58641 4.86529 6.05053 9.07213 13.3189 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 7.26334 9.73647 10.512 4.15946 6.19899 10.1229 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 7.26334 9.73647 10.512 9.92026 6.61696 11.3231 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 7.26334 5.78532 7.46758 4.15946 6.19899 8.49709 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 7.26334 5.78532 7.46758 9.92026 6.61696 12.9064 numMergedOcc 0
6 mol 24 unq 4 iso 0 dist 5.78532 9.73647 13.2892 4.15946 8.49709 10.1229 numMergedOcc 0
7 mol 24 unq 5 iso 0 dist 5.78532 7.26334 7.46758 4.15946 8.49709 6.19899 numMergedOcc 0
8 mol 24 unq 6 iso 0 dist 6.19899 8.49709 7.46758 4.15946 7.26334 5.78532 numMergedOcc 0
9 mol 24 unq 7 iso 0 dist 6.19899 8.49709 7.46758 6.16544 6.61696 12.9064 numMergedOcc 0
10 mol 24 unq 8 iso 0 dist 8.49709 6.19899 7.46758 4.15946 5.78532 7.26334 numMergedOcc 0
11 mol 24 unq 9 iso 0 dist 6.61696 5.80953 10.7501 9.92026 7.26334 14.7426 numMergedOcc 0
12 mol 24 unq 10 iso 0 dist 6.61696 5.80953 10.7501 6.16544 6.19899 10.8068 numMergedOcc 0
13 mol 24 unq 11 iso 0 dist 4.44526 9.33304 8.40153 11.342 9.586 14.1221 numMergedOcc 0
14 mol 24 unq 12 iso 0 dist 4.44526 4.5711 3.73215 11.342 9.586 12.6707 numMergedOcc 0
15 mol 25 unq 0 iso 0 dist 6.53269 9.16515 12.1732 4.43692 9.81524 11.7789 numMergedOcc 0
16 mol 25 unq 1 iso 0 dist 6.53269 9.82987 9.54872 4.43692 9.81524 12.893 numMergedOcc 0
17 mol 25 unq 2 iso 0 dist 6.53269 9.40732 3.49276 4.43692 9.81524 12.8732 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 9.25444 9.84703 6.70343 10.2754 8.46823 4.62494 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 9.84703 9.25444 6.70343 10.2754 4.62494 8.46823 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 8.46823 4.62494 6.70343 10.2754 9.25444 9.84703 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 4.62494 8.46823 6.70343 10.2754 9.84703 9.25444 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 6.55173 7.81446 6.25463 4.36434 6.59691 10.3057 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 6.0859 6.05009 3.71099 4.2485 9.15283 9.68143 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.06571 7.35884 3.56877 9.87773 9.88897 11.6588 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 9.43306 8.12266 10.1041 9.53592 8.4848 12.6232 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 9.43306 8.59681 6.02942 9.53592 8.4848 10.6525 numMergedOcc 0
27 mol 181 unq 3 iso 0 dist 8.4848 5.99437 3.55187 9.53592 9.43306 10.5303 numMergedOcc 0
28 mol 224 unq 0 iso 0 dist 9.46687 9.25617 17.5293 8.34332 7.30592 16.7515 numMergedOcc 0
29 mol 224 unq 1 iso 0 dist 9.25617 9.46687 17.5293 6.43567 9.05276 15.2847 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 6.94762 9.89167 11.1622 5.51027 7.7086 14.1321 numMergedOcc 0
31 mol 274 unq 0 iso 0 dist 9.65868 7.77765 13.5848 10.7637 8.60027 10.0206 numMergedOcc 0
