0 mol 32 unq 0 iso 0 dist 8.70331 13.9733 6.89423 7.9487 5.9972 7.96047 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 4.07334 11.5018 8.5893 11.0522 8.61124 5.8086 numMergedOcc 0
2 mol 37 unq 1 iso 0 dist 4.07334 11.5018 8.5893 5.60174 5.1625 9.36335 numMergedOcc 0
3 mol 37 unq 2 iso 0 dist 4.07334 7.04664 8.22608 11.0522 8.61124 13.067 numMergedOcc 0
4 mol 37 unq 3 iso 0 dist 4.07334 7.04664 8.22608 5.60174 5.1625 7.41731 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.81735 9.65232 7.62814 6.24596 9.03391 14.9303 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 7.02693 6.13631 5.7576 5.14919 7.78587 10.0721 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 8.58248 11.8814 5.7576 15.124 7.78587 10.0721 numMergedOcc 0
8 mol 99 unq 0 iso 0 dist 6.65947 7.10338 6.55815 9.393 5.81267 4.96065 numMergedOcc 0
9 mol 99 unq 1 iso 0 dist 6.65947 7.10338 6.55815 13.8421 9.23584 10.8453 numMergedOcc 0
10 mol 99 unq 2 iso 0 dist 6.65947 7.10338 6.55815 7.75294 9.10744 8.56161 numMergedOcc 0
11 mol 136 unq 0 iso 0 dist 9.71312 11.3247 6.60256 8.63299 8.98184 5.15246 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 8.06007 13.6249 7.10869 14.9849 7.6077 3.81023 numMergedOcc 0
13 mol 193 unq 0 iso 0 dist 9.13587 14.8942 6.10013 11.6584 6.17074 6.6036 numMergedOcc 0
14 mol 209 unq 0 iso 0 dist 5.88616 5.59713 8.38539 6.84244 9.79737 4.91085 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 5.19729 7.88007 9.29322 6.50683 6.16848 11.4002 numMergedOcc 0
16 mol 251 unq 0 iso 0 dist 8.15014 9.69379 9.20256 9.31952 9.55854 6.27696 numMergedOcc 0
17 mol 251 unq 1 iso 0 dist 6.06154 11.957 9.20256 8.73179 9.55854 6.27696 numMergedOcc 0
