0 mol 1 unq 0 iso 0 dist 9.34725 7.68779 11.5373 6.41817 5.19589 11.8728 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.30501 7.68779 4.58277 6.41817 13.1116 11.8728 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 7.96836 8.48453 13.5023 7.02884 13.5569 4.03817 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 7.96836 8.80499 15.703 7.02884 13.5569 5.12703 numMergedOcc 0
4 mol 17 unq 2 iso 0 dist 8.49309 8.48453 16.6172 7.02884 13.9821 4.03817 numMergedOcc 0
5 mol 17 unq 3 iso 0 dist 8.49309 8.80499 16.0163 7.02884 13.9821 5.12703 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 6.85245 9.15677 5.71065 9.53735 5.60332 10.797 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 8.43571 9.61029 5.71065 9.34599 5.60332 10.797 numMergedOcc 0
8 mol 26 unq 2 iso 0 dist 8.43571 9.61029 5.71065 6.32127 7.30207 10.9837 numMergedOcc 0
9 mol 36 unq 0 iso 0 dist 7.23823 7.34019 5.25025 7.11464 5.39321 6.11846 numMergedOcc 0
10 mol 36 unq 1 iso 0 dist 7.23823 8.43828 11.6749 7.11464 5.39321 7.3917 numMergedOcc 0
11 mol 53 unq 0 iso 0 dist 6.86092 7.80805 8.38029 5.66861 6.52918 5.10859 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 9.1695 7.51978 15.6611 5.0478 11.6507 4.29856 numMergedOcc 0
13 mol 63 unq 0 iso 0 dist 9.0481 9.84668 4.22861 7.35929 4.46355 7.78153 numMergedOcc 0
14 mol 68 unq 0 iso 0 dist 8.90164 6.6606 6.96386 8.14607 6.29197 9.12845 numMergedOcc 0
15 mol 92 unq 0 iso 0 dist 7.75977 8.22406 9.54167 8.57012 4.92054 13.3881 numMergedOcc 0
16 mol 92 unq 1 iso 0 dist 7.75977 8.22406 9.54167 9.75945 6.7197 5.90097 numMergedOcc 0
17 mol 112 unq 0 iso 0 dist 9.93751 7.63658 14.2013 6.73172 9.76776 5.76986 numMergedOcc 0
18 mol 112 unq 1 iso 0 dist 9.93751 7.65229 6.29923 6.73172 9.76776 5.39346 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 8.98949 9.64856 9.5945 8.74658 13.3682 6.26504 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 8.98949 6.38977 7.47571 8.74658 13.3682 7.7567 numMergedOcc 0
21 mol 131 unq 2 iso 0 dist 8.98949 9.69757 12.885 8.74658 13.3682 8.23791 numMergedOcc 0
22 mol 158 unq 0 iso 0 dist 7.75233 8.1504 4.835 9.58371 11.5292 7.49843 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 7.21606 6.96824 5.32364 5.6688 5.10499 6.29863 numMergedOcc 0
24 mol 181 unq 1 iso 0 dist 7.21606 9.25528 9.56466 5.6688 5.10499 5.6044 numMergedOcc 0
25 mol 222 unq 0 iso 0 dist 8.67562 8.92185 6.68357 8.37652 8.25682 6.37513 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 8.66923 9.29203 15.3346 8.03226 14.9927 10.3871 numMergedOcc 0
27 mol 238 unq 1 iso 0 dist 8.66923 7.62771 13.1885 8.03226 14.9927 6.54814 numMergedOcc 0
28 mol 238 unq 2 iso 0 dist 8.66923 7.80166 7.04671 8.03226 14.9927 14.388 numMergedOcc 0
29 mol 276 unq 0 iso 0 dist 8.63212 7.11272 11.0537 8.74282 12.4238 6.51623 numMergedOcc 0
30 mol 276 unq 1 iso 0 dist 8.63212 6.24808 9.50779 8.74282 12.4238 5.41235 numMergedOcc 0
31 mol 293 unq 0 iso 0 dist 8.84911 8.90008 12.7881 8.60282 8.37167 5.46037 numMergedOcc 0
