0 mol 34 unq 0 iso 0 dist 7.87317 8.85016 9.52614 11.9718 6.87871 10.4854 numMergedOcc 0
1 mol 98 unq 0 iso 0 dist 7.28942 14.0368 7.59354 15.3149 9.59261 6.83826 numMergedOcc 0
2 mol 98 unq 1 iso 0 dist 7.28942 14.0368 7.59354 6.69791 6.67936 9.94628 numMergedOcc 0
3 mol 98 unq 2 iso 0 dist 7.28942 14.0368 7.59354 10.9221 8.25817 7.53156 numMergedOcc 0
4 mol 108 unq 0 iso 0 dist 6.29966 4.43985 7.52802 10.051 7.29462 12.8858 numMergedOcc 0
5 mol 108 unq 1 iso 0 dist 6.29966 10.9562 8.1971 10.051 7.29462 9.53351 numMergedOcc 0
6 mol 108 unq 2 iso 0 dist 6.29966 13.0702 7.84262 10.051 7.29462 12.0135 numMergedOcc 0
7 mol 108 unq 3 iso 0 dist 9.31725 9.15007 7.52802 15.8859 7.29462 12.8858 numMergedOcc 0
8 mol 108 unq 4 iso 0 dist 9.31725 16.2146 8.1971 15.8859 7.29462 9.53351 numMergedOcc 0
9 mol 108 unq 5 iso 0 dist 9.31725 13.816 7.84262 15.8859 7.29462 12.0135 numMergedOcc 0
10 mol 108 unq 6 iso 0 dist 9.57358 9.33094 7.52802 14.7085 7.29462 12.8858 numMergedOcc 0
11 mol 108 unq 7 iso 0 dist 9.57358 16.9607 8.1971 14.7085 7.29462 9.53351 numMergedOcc 0
12 mol 108 unq 8 iso 0 dist 9.57358 16.0071 7.84262 14.7085 7.29462 12.0135 numMergedOcc 0
13 mol 108 unq 9 iso 0 dist 5.38329 9.28947 7.52802 4.56297 7.29462 12.8858 numMergedOcc 0
14 mol 108 unq 10 iso 0 dist 5.38329 9.97408 8.1971 4.56297 7.29462 9.53351 numMergedOcc 0
15 mol 108 unq 11 iso 0 dist 5.38329 12.4008 7.84262 4.56297 7.29462 12.0135 numMergedOcc 0
16 mol 108 unq 12 iso 0 dist 7.62421 12.4008 9.29208 4.56297 5.4057 12.0135 numMergedOcc 0
17 mol 110 unq 0 iso 0 dist 7.1891 5.84646 7.24538 7.92629 7.21229 12.0587 numMergedOcc 0
18 mol 110 unq 1 iso 0 dist 7.1891 5.84646 7.24538 4.65767 5.25492 8.6616 numMergedOcc 0
19 mol 110 unq 2 iso 0 dist 7.67702 6.69022 7.24538 9.86374 7.21229 12.0587 numMergedOcc 0
20 mol 110 unq 3 iso 0 dist 7.67702 6.69022 7.24538 5.33778 5.25492 8.6616 numMergedOcc 0
21 mol 126 unq 0 iso 0 dist 9.50807 4.96883 9.93897 5.81216 7.11388 5.44525 numMergedOcc 0
22 mol 126 unq 1 iso 0 dist 9.50807 4.96883 9.93897 10.9837 8.83131 14.2677 numMergedOcc 0
23 mol 165 unq 0 iso 0 dist 6.35749 5.05659 5.5411 7.60464 9.78437 7.59954 numMergedOcc 0
24 mol 178 unq 0 iso 0 dist 9.56963 5.24683 7.69328 16.8486 8.0974 15.6558 numMergedOcc 0
25 mol 178 unq 1 iso 0 dist 5.95885 7.55512 7.69328 11.6817 8.0974 15.6558 numMergedOcc 0
26 mol 188 unq 0 iso 0 dist 5.4981 6.28664 9.68317 4.57422 6.02561 8.53432 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 9.47309 5.57 5.90784 10.5254 6.56437 5.41021 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 6.80314 10.1019 9.39764 6.00666 7.66519 6.12544 numMergedOcc 0
29 mol 258 unq 0 iso 0 dist 7.42888 3.7042 7.66806 5.29393 5.73296 5.09738 numMergedOcc 0
30 mol 273 unq 0 iso 0 dist 6.98729 7.97745 7.70185 4.89166 7.89852 11.2887 numMergedOcc 0
