0 mol 1 unq 0 iso 0 dist 9.30501 6.41817 13.1116 8.76084 9.21329 14.6019 numMergedOcc 0
1 mol 2 unq 0 iso 0 dist 7.12914 9.02791 4.91052 11.3806 8.3726 12.3223 numMergedOcc 0
2 mol 17 unq 0 iso 0 dist 7.96836 7.02884 13.5569 4.43871 6.64199 8.26398 numMergedOcc 0
3 mol 17 unq 1 iso 0 dist 7.66522 8.84341 13.9821 8.77993 8.90155 8.26398 numMergedOcc 0
4 mol 17 unq 2 iso 0 dist 8.49309 7.02884 13.9821 4.43871 8.90155 8.26398 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 7.85354 7.89222 6.76331 15.9898 9.54171 12.0617 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 6.85245 9.53735 5.60332 12.9455 6.70325 9.82851 numMergedOcc 0
7 mol 26 unq 2 iso 0 dist 8.43571 9.34599 5.60332 5.34406 6.70325 9.82851 numMergedOcc 0
8 mol 26 unq 3 iso 0 dist 8.43571 6.32127 7.30207 5.34406 6.70325 9.11311 numMergedOcc 0
9 mol 28 unq 0 iso 0 dist 7.84931 6.68029 7.09981 12.8342 5.42412 10.3582 numMergedOcc 0
10 mol 28 unq 1 iso 0 dist 7.84931 6.68029 7.09981 14.4187 8.09862 10.7729 numMergedOcc 0
11 mol 28 unq 2 iso 0 dist 7.84931 6.68029 7.09981 15.1831 8.89114 10.4329 numMergedOcc 0
12 mol 28 unq 3 iso 0 dist 6.64392 6.44166 7.09981 10.3431 5.42412 10.3582 numMergedOcc 0
13 mol 28 unq 4 iso 0 dist 6.64392 6.44166 7.09981 12.3064 8.09862 10.7729 numMergedOcc 0
14 mol 28 unq 5 iso 0 dist 6.64392 6.44166 7.09981 11.3495 8.89114 10.4329 numMergedOcc 0
15 mol 87 unq 0 iso 0 dist 9.99609 7.14461 4.99645 5.77895 9.20673 9.41934 numMergedOcc 0
16 mol 87 unq 1 iso 0 dist 9.99609 9.03196 12.9785 5.77895 9.20673 11.21 numMergedOcc 0
17 mol 87 unq 2 iso 0 dist 7.83182 7.14461 7.79329 8.16334 9.92157 10.8627 numMergedOcc 0
18 mol 87 unq 3 iso 0 dist 7.83182 9.03196 12.843 8.16334 9.92157 17.1084 numMergedOcc 0
19 mol 103 unq 0 iso 0 dist 7.95587 6.87901 8.49357 5.99213 9.0807 5.51053 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 9.01437 9.63679 6.6467 8.3462 5.64732 11.1579 numMergedOcc 0
21 mol 168 unq 1 iso 0 dist 9.01437 9.63679 6.6467 10.7396 5.52214 11.4719 numMergedOcc 0
22 mol 168 unq 2 iso 0 dist 9.01437 9.63679 6.6467 14.5581 5.80055 11.1511 numMergedOcc 0
23 mol 168 unq 3 iso 0 dist 9.01437 9.63679 6.6467 15.2349 7.44481 13.5443 numMergedOcc 0
24 mol 188 unq 0 iso 0 dist 7.82113 9.0939 10.2716 5.20357 7.50005 13.4764 numMergedOcc 0
25 mol 188 unq 1 iso 0 dist 7.82113 6.1338 5.01686 5.20357 7.50005 8.4784 numMergedOcc 0
26 mol 203 unq 0 iso 0 dist 9.58178 9.31742 6.40721 11.7673 9.58652 15.1515 numMergedOcc 0
27 mol 205 unq 0 iso 0 dist 8.96503 9.47112 4.79372 8.98996 4.93303 6.81516 numMergedOcc 0
28 mol 205 unq 1 iso 0 dist 8.96503 9.47112 4.79372 8.73701 9.95859 12.4828 numMergedOcc 0
29 mol 222 unq 0 iso 0 dist 8.67562 8.37652 8.25682 3.50723 9.99638 11.7093 numMergedOcc 0
30 mol 226 unq 0 iso 0 dist 7.64898 9.20651 4.66376 5.18969 9.84378 13.0915 numMergedOcc 0
31 mol 237 unq 0 iso 0 dist 9.43875 6.78301 6.45163 7.05389 8.75713 9.81585 numMergedOcc 0
