0 mol 70 unq 0 iso 0 dist 9.28709 6.77833 6.95018 4.67358 7.98177 9.03317 numMergedOcc 0
1 mol 109 unq 0 iso 0 dist 8.74797 9.26438 9.25015 9.9387 8.91211 15.9335 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 9.92308 7.2443 6.20962 9.05365 6.23461 9.88829 numMergedOcc 0
3 mol 124 unq 0 iso 0 dist 9.08158 6.71293 6.27128 5.93793 9.26384 9.70339 numMergedOcc 0
4 mol 134 unq 0 iso 0 dist 9.17599 8.31276 10.1166 5.8367 11.473 11.7434 numMergedOcc 0
5 mol 134 unq 1 iso 0 dist 9.17599 5.79157 7.18189 5.8367 11.473 5.12325 numMergedOcc 0
6 mol 134 unq 2 iso 0 dist 9.17599 5.50687 12.935 5.8367 11.473 6.02179 numMergedOcc 0
7 mol 134 unq 3 iso 0 dist 9.17599 7.30919 10.3773 5.8367 11.473 10.9332 numMergedOcc 0
8 mol 134 unq 4 iso 0 dist 8.78704 8.31276 15.4311 5.8367 9.96852 11.7434 numMergedOcc 0
9 mol 134 unq 5 iso 0 dist 8.78704 5.79157 5.87684 5.8367 9.96852 5.12325 numMergedOcc 0
10 mol 134 unq 6 iso 0 dist 8.78704 5.50687 8.05964 5.8367 9.96852 6.02179 numMergedOcc 0
11 mol 134 unq 7 iso 0 dist 8.78704 7.30919 5.11977 5.8367 9.96852 10.9332 numMergedOcc 0
12 mol 167 unq 0 iso 0 dist 5.7126 7.9895 5.08837 6.6276 8.6934 6.44546 numMergedOcc 0
13 mol 167 unq 1 iso 0 dist 5.7126 6.53913 9.26656 6.6276 8.6934 5.48292 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 7.89041 8.95071 7.41111 9.33359 6.35143 7.00028 numMergedOcc 0
15 mol 248 unq 0 iso 0 dist 8.2748 7.40475 6.21372 9.08064 10.7978 5.99459 numMergedOcc 0
16 mol 278 unq 0 iso 0 dist 9.03526 9.91518 11.4295 9.06043 5.37654 6.54009 numMergedOcc 0
17 mol 278 unq 1 iso 0 dist 8.03252 9.91518 17.5675 9.06043 14.615 6.54009 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 7.41656 7.95849 6.59425 9.79154 5.09662 6.7501 numMergedOcc 0
19 mol 288 unq 0 iso 0 dist 7.41656 7.95849 6.59425 9.79154 5.09662 6.7501 numMergedOcc 0
20 mol 289 unq 0 iso 0 dist 7.41656 7.95849 6.59425 9.79154 5.09662 6.7501 numMergedOcc 0
