0 mol 1 unq 0 iso 0 dist 8.70365 9.34725 6.71753 7.68779 8.37144 11.5373 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.70365 9.30501 6.37896 7.68779 8.37144 4.58277 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 9.33719 9.34725 10.4572 7.68779 7.29854 11.5373 numMergedOcc 0
3 mol 1 unq 3 iso 0 dist 9.33719 9.30501 11.3264 7.68779 7.29854 4.58277 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 5.58467 6.85245 9.03287 9.15677 7.42841 5.71065 numMergedOcc 0
5 mol 42 unq 0 iso 0 dist 8.71965 9.50568 13.3791 7.06199 9.81959 4.38082 numMergedOcc 0
6 mol 86 unq 0 iso 0 dist 9.34342 8.8236 5.9581 5.49793 4.98527 7.89966 numMergedOcc 0
7 mol 89 unq 0 iso 0 dist 5.37527 9.48297 4.94782 8.89514 10.5385 10.592 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 8.43908 5.97658 5.76822 6.9538 6.89206 5.71534 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 8.43908 5.97658 5.76822 9.36111 10.0512 6.226 numMergedOcc 0
10 mol 99 unq 0 iso 0 dist 6.24473 5.57391 4.74328 8.5073 6.27818 6.7474 numMergedOcc 0
11 mol 110 unq 0 iso 0 dist 9.35378 8.38998 9.32628 6.59361 8.6616 8.63598 numMergedOcc 0
12 mol 131 unq 0 iso 0 dist 6.30762 8.98949 10.1774 9.64856 5.29246 9.5945 numMergedOcc 0
13 mol 131 unq 1 iso 0 dist 6.30762 8.98949 10.1774 6.38977 8.25445 7.47571 numMergedOcc 0
14 mol 131 unq 2 iso 0 dist 6.30762 8.98949 10.1774 9.69757 11.8349 12.885 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 7.01007 8.88463 4.73739 8.50904 9.78176 6.93308 numMergedOcc 0
16 mol 175 unq 1 iso 0 dist 7.01007 8.88463 4.73739 7.04318 6.15969 6.01639 numMergedOcc 0
17 mol 199 unq 0 iso 0 dist 6.6037 6.27016 7.32407 9.09788 5.85782 4.83999 numMergedOcc 0
18 mol 199 unq 1 iso 0 dist 7.21813 6.27016 10.6184 9.09788 10.8434 4.83999 numMergedOcc 0
19 mol 199 unq 2 iso 0 dist 9.74632 6.27016 10.9509 9.09788 8.8932 4.83999 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 4.58449 9.9479 10.3793 7.96424 10.7787 17.1899 numMergedOcc 0
21 mol 220 unq 1 iso 0 dist 4.58449 9.9479 10.3793 5.40366 5.78532 12.7759 numMergedOcc 0
22 mol 220 unq 2 iso 0 dist 4.58449 9.9479 10.3793 8.93637 6.24624 10.7994 numMergedOcc 0
23 mol 220 unq 3 iso 0 dist 7.03223 9.9479 9.51851 7.96424 10.48 17.1899 numMergedOcc 0
24 mol 220 unq 4 iso 0 dist 7.03223 9.9479 9.51851 5.40366 5.23846 12.7759 numMergedOcc 0
25 mol 220 unq 5 iso 0 dist 7.03223 9.9479 9.51851 8.93637 6.02282 10.7994 numMergedOcc 0
26 mol 241 unq 0 iso 0 dist 8.10617 8.73768 10.9944 8.98617 7.77159 4.86885 numMergedOcc 0
27 mol 241 unq 1 iso 0 dist 8.10617 8.73768 10.9944 6.74552 9.5998 5.89144 numMergedOcc 0
28 mol 271 unq 0 iso 0 dist 7.70069 6.33151 9.34867 9.04738 5.33191 12.409 numMergedOcc 0
29 mol 271 unq 1 iso 0 dist 7.70069 6.33151 9.34867 8.68046 7.51599 5.57071 numMergedOcc 0
30 mol 271 unq 2 iso 0 dist 7.70069 6.33151 9.34867 5.98336 5.72209 5.08815 numMergedOcc 0
31 mol 271 unq 3 iso 0 dist 7.70069 6.33151 9.34867 9.67453 14.8116 5.71631 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 8.85653 8.12646 11.304 8.27977 6.03718 8.00087 numMergedOcc 0
33 mol 293 unq 0 iso 0 dist 9.50932 8.84911 11.9388 8.90008 5.13597 12.7881 numMergedOcc 0
