0 mol 27 unq 0 iso 0 dist 9.53459 5.09512 8.28463 8.08623 9.21811 9.11842 numMergedOcc 0
1 mol 36 unq 0 iso 0 dist 6.63096 8.14601 7.34019 6.59268 6.1084 4.24251 numMergedOcc 0
2 mol 36 unq 1 iso 0 dist 6.63096 5.30296 8.43828 6.59268 6.1084 9.98403 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 6.09593 9.84853 9.31319 5.31335 9.72136 13.1434 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 6.09593 9.84853 9.31319 8.40922 4.61355 10.9054 numMergedOcc 0
5 mol 46 unq 2 iso 0 dist 6.09593 9.36202 8.2513 5.31335 9.72136 14.5035 numMergedOcc 0
6 mol 46 unq 3 iso 0 dist 6.09593 9.36202 8.2513 8.40922 4.61355 12.3186 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 8.12369 4.82658 6.6606 5.29259 4.88863 5.74372 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 6.23129 4.89959 7.95122 9.01156 8.55467 8.70781 numMergedOcc 0
9 mol 70 unq 1 iso 0 dist 6.23129 5.89083 9.74268 9.01156 8.55467 13.4238 numMergedOcc 0
10 mol 94 unq 0 iso 0 dist 5.43094 11.5343 9.24996 8.18647 9.02053 9.55908 numMergedOcc 0
11 mol 94 unq 1 iso 0 dist 5.43094 5.97844 8.37473 8.18647 9.02053 3.97543 numMergedOcc 0
12 mol 94 unq 2 iso 0 dist 5.67492 4.44456 9.24996 6.83268 9.02053 9.55908 numMergedOcc 0
13 mol 94 unq 3 iso 0 dist 5.67492 5.51433 8.37473 6.83268 9.02053 3.97543 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 8.91539 7.78381 7.43775 7.89899 5.42764 4.0204 numMergedOcc 0
15 mol 122 unq 1 iso 0 dist 8.91539 11.5901 8.09594 7.89899 5.42764 3.90443 numMergedOcc 0
16 mol 148 unq 0 iso 0 dist 7.41316 12.974 8.62898 11.0719 9.23896 4.94499 numMergedOcc 0
17 mol 148 unq 1 iso 0 dist 7.41316 12.974 8.62898 3.86182 6.02506 9.29878 numMergedOcc 0
18 mol 150 unq 0 iso 0 dist 7.44624 13.0961 8.6102 11.4639 9.46439 4.99218 numMergedOcc 0
19 mol 150 unq 1 iso 0 dist 7.44624 13.0961 8.6102 3.97184 6.07854 9.35505 numMergedOcc 0
20 mol 198 unq 0 iso 0 dist 9.64723 13.2397 5.80867 10.4 8.37455 6.0599 numMergedOcc 0
