0 mol 32 unq 0 iso 0 dist 9.36321 7.98862 11.0736 4.55576 12.9262 7.99969 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 7.29511 5.78878 11.0736 7.58171 12.9262 7.99969 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 9.68339 8.59945 4.90664 8.48982 10.7402 6.36086 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 5.74521 9.04937 5.01597 7.79117 9.93703 8.99399 numMergedOcc 0
4 mol 162 unq 0 iso 0 dist 9.22453 9.06613 6.43849 6.66205 10.7087 6.45896 numMergedOcc 0
5 mol 168 unq 0 iso 0 dist 6.8754 8.80059 10.8621 14.4671 17.5088 7.44629 numMergedOcc 0
6 mol 180 unq 0 iso 0 dist 9.99021 8.66298 13.6006 5.31 14.0589 5.85827 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 9.43816 8.28099 11.4677 14.6912 19.1614 7.76163 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 9.43816 8.28099 11.4677 6.15341 11.1735 8.73217 numMergedOcc 0
9 mol 232 unq 0 iso 0 dist 7.38809 8.70651 13.2043 9.88635 11.6886 8.50102 numMergedOcc 0
10 mol 232 unq 1 iso 0 dist 7.38809 8.70651 13.2043 5.08111 9.36645 9.40808 numMergedOcc 0
11 mol 234 unq 0 iso 0 dist 9.79506 8.88567 16.7276 5.19951 14.9334 6.30154 numMergedOcc 0
12 mol 234 unq 1 iso 0 dist 9.79506 9.45787 17.9138 5.19951 14.9334 7.32499 numMergedOcc 0
13 mol 251 unq 0 iso 0 dist 9.52898 7.59626 10.384 4.80531 14.0785 8.68707 numMergedOcc 0
14 mol 251 unq 1 iso 0 dist 5.84458 7.59626 5.93645 4.80531 9.82043 8.68707 numMergedOcc 0
15 mol 251 unq 2 iso 0 dist 8.96097 7.52286 5.93645 5.60154 9.82043 8.68707 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 8.94629 9.43704 7.15953 6.30874 5.81927 7.6595 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 8.94629 7.41653 8.01004 6.88723 6.09782 9.63959 numMergedOcc 0
18 mol 258 unq 2 iso 0 dist 8.94629 7.41653 8.01004 7.08073 15.1009 9.96262 numMergedOcc 0
19 mol 258 unq 3 iso 0 dist 8.94629 7.41653 8.01004 11.7129 12.9664 7.21311 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 5.98977 6.99454 7.43256 5.26386 8.1498 6.71375 numMergedOcc 0
