0 mol 44 unq 0 iso 0 dist 7.20409 4.53848 7.61923 9.06073 11.0602 5.87258 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 5.93729 4.53848 5.11941 9.06073 6.3575 5.87258 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 9.7328 4.53848 7.7864 9.06073 3.97557 5.87258 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 7.19406 6.51519 7.57749 10.8654 7.35107 6.03151 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 7.55854 4.27513 5.41774 12.5878 8.12928 8.63743 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 5.48669 4.78298 5.41774 11.6742 8.12928 8.63743 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 5.78051 5.26955 5.41774 8.41359 8.12928 8.63743 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.0101 4.05111 6.63973 9.47924 15.1383 9.78762 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 4.3761 4.54306 5.33961 3.90209 8.19607 6.74197 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 6.31509 5.43272 7.34638 10.1435 11.1108 4.79891 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 6.14782 5.43272 6.0995 10.1435 9.17639 4.79891 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 5.84583 4.54306 5.08983 3.90209 4.67787 6.74197 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 8.08733 4.85157 5.90003 10.6043 7.49885 6.88175 numMergedOcc 0
13 mol 119 unq 1 iso 0 dist 4.90449 5.74561 5.90003 8.06422 7.49885 6.88175 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 4.76012 5.75588 6.53559 11.9694 8.56696 8.46972 numMergedOcc 0
15 mol 144 unq 0 iso 0 dist 9.87298 4.9743 7.46026 9.17163 12.3102 6.03283 numMergedOcc 0
16 mol 144 unq 1 iso 0 dist 9.87298 5.03085 7.94971 9.17163 12.3102 9.05357 numMergedOcc 0
17 mol 144 unq 2 iso 0 dist 6.21815 6.01619 7.46026 11.4421 12.3102 6.03283 numMergedOcc 0
18 mol 144 unq 3 iso 0 dist 6.21815 3.7983 7.94971 11.4421 12.3102 9.05357 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 7.7195 4.91613 6.51523 8.63202 12.1824 8.09699 numMergedOcc 0
20 mol 171 unq 1 iso 0 dist 8.30819 4.61696 6.51523 4.46397 12.1824 8.09699 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 5.39622 8.84505 9.18289 11.8065 13.4102 8.41456 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 9.02212 4.53842 8.8637 9.41747 10.161 9.62225 numMergedOcc 0
23 mol 212 unq 0 iso 0 dist 7.67675 4.71123 5.03184 13.0715 9.60101 8.43638 numMergedOcc 0
24 mol 212 unq 1 iso 0 dist 7.67675 4.71123 5.03184 8.09995 9.48834 7.06117 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 6.17749 10.935 8.86886 8.27605 6.45821 7.61739 numMergedOcc 0
