0 mol 51 unq 0 iso 0 dist 9.66898 8.55004 4.9987 7.12423 12.4834 13.4355 7.24502 12.9167 8.84151 13.4686 numMergedOcc 0
1 mol 71 unq 0 iso 0 dist 9.44364 7.28815 4.29097 9.50139 4.32794 5.87956 10.1018 12.1922 8.92529 10.2053 numMergedOcc 0
2 mol 103 unq 0 iso 0 dist 9.57953 6.36357 7.3651 4.99966 8.44658 5.54757 10.4989 8.75165 6.79959 11.8191 numMergedOcc 0
3 mol 129 unq 0 iso 0 dist 9.0455 7.13958 5.0466 9.28278 5.56946 4.80675 4.74644 6.65878 7.6453 8.00624 numMergedOcc 0
4 mol 129 unq 1 iso 0 dist 9.0455 7.13958 5.0466 8.78082 6.10584 7.01358 4.74644 6.65878 7.6453 8.42289 numMergedOcc 0
5 mol 132 unq 0 iso 0 dist 8.883 7.16287 7.68244 8.7366 12.3669 10.0823 4.21327 10.6 6.94745 11.9102 numMergedOcc 0
6 mol 139 unq 0 iso 0 dist 8.49892 5.77343 4.94393 6.34417 5.30274 4.78289 4.19005 9.71665 8.78382 8.96275 numMergedOcc 0
7 mol 176 unq 0 iso 0 dist 9.94201 6.9705 6.4738 9.66407 6.1294 5.17719 4.84752 11.9467 7.98755 8.93118 numMergedOcc 0
8 mol 187 unq 0 iso 0 dist 7.81168 5.82577 8.91643 9.36086 12.368 4.98423 10.7172 13.7054 5.58167 6.82787 numMergedOcc 0
9 mol 187 unq 1 iso 0 dist 7.81168 5.82577 8.91643 9.36086 12.368 4.98423 4.75665 7.87608 8.0501 12.7503 numMergedOcc 0
10 mol 258 unq 0 iso 0 dist 8.37512 9.52903 11.3847 5.73834 4.16729 9.78068 5.66907 12.5673 8.10903 9.04358 numMergedOcc 0
11 mol 258 unq 1 iso 0 dist 8.37512 9.52903 11.3847 5.73834 4.16729 9.78068 9.6053 13.6155 7.25618 10.0455 numMergedOcc 0
12 mol 259 unq 0 iso 0 dist 7.34794 8.06908 6.92619 9.54857 5.41945 6.18571 5.99165 11.0717 8.54422 13.119 numMergedOcc 0
13 mol 259 unq 1 iso 0 dist 7.34794 8.06908 6.92619 9.54857 5.41945 6.18571 4.78344 10.5924 7.67473 10.895 numMergedOcc 0
14 mol 265 unq 0 iso 0 dist 9.71346 9.81689 6.58111 7.04833 6.50018 10.4495 10.531 13.361 7.52632 14.5863 numMergedOcc 0
15 mol 266 unq 0 iso 0 dist 5.43053 7.51446 10.3939 8.12852 4.38226 9.80419 9.47559 14.6641 9.39714 16.6569 numMergedOcc 0
