0 mol 51 unq 0 iso 0 dist 9.37125 9.87175 4.63184 5.49645 9.0709 11.7843 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 7.54869 7.72019 11.6538 5.50049 9.5589 8.31068 numMergedOcc 0
2 mol 54 unq 1 iso 0 dist 6.29729 7.72019 7.15034 5.50049 6.83299 8.31068 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 5.43031 7.80156 4.69658 5.21064 7.71338 6.87434 numMergedOcc 0
4 mol 130 unq 0 iso 0 dist 9.09856 9.38079 6.00473 7.87833 9.28393 5.92733 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 9.20372 8.78851 10.5124 4.88092 8.40312 9.71707 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 6.65519 8.78851 3.84862 4.88092 6.85062 9.71707 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 5.44721 9.86726 12.0859 5.0869 6.29155 13.4701 numMergedOcc 0
8 mol 142 unq 0 iso 0 dist 6.90378 9.53873 4.05822 8.11604 9.2313 8.04118 numMergedOcc 0
9 mol 142 unq 1 iso 0 dist 6.90378 9.53873 4.05822 5.39629 7.73169 8.39035 numMergedOcc 0
10 mol 142 unq 2 iso 0 dist 6.90378 9.53873 4.05822 5.4779 8.96657 11.6454 numMergedOcc 0
11 mol 142 unq 3 iso 0 dist 7.01955 9.53873 4.7832 8.11604 5.31024 8.04118 numMergedOcc 0
12 mol 142 unq 4 iso 0 dist 7.01955 9.53873 4.7832 5.39629 7.26382 8.39035 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 8.58834 8.97961 13.8168 4.99603 8.49164 9.13646 numMergedOcc 0
14 mol 169 unq 1 iso 0 dist 8.58834 5.51907 11.1511 4.99603 8.49164 8.34216 numMergedOcc 0
15 mol 169 unq 2 iso 0 dist 8.58834 8.64322 9.33008 4.99603 8.49164 10.586 numMergedOcc 0
16 mol 182 unq 0 iso 0 dist 9.92736 9.44409 11.1685 14.6185 9.31746 13.7148 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 8.95053 5.71508 7.02978 7.87147 9.62191 10.1238 numMergedOcc 0
18 mol 205 unq 0 iso 0 dist 6.40983 8.65067 6.49049 8.48013 6.03031 11.5794 numMergedOcc 0
19 mol 205 unq 1 iso 0 dist 6.40983 8.65067 6.49049 9.6739 7.26832 13.4668 numMergedOcc 0
20 mol 205 unq 2 iso 0 dist 6.40983 8.65067 6.49049 11.3983 7.80463 8.26637 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 7.08106 8.90428 4.29623 5.42209 6.18308 6.85824 numMergedOcc 0
22 mol 264 unq 0 iso 0 dist 5.99069 9.22548 11.147 5.68295 9.361 11.9373 numMergedOcc 0
23 mol 264 unq 1 iso 0 dist 5.99069 9.22548 11.147 6.99623 6.24356 15.2551 numMergedOcc 0
24 mol 264 unq 2 iso 0 dist 5.99069 7.95116 10.0018 5.68295 9.361 11.9269 numMergedOcc 0
25 mol 264 unq 3 iso 0 dist 5.99069 7.95116 10.0018 6.99623 6.24356 13.3874 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 7.27446 6.76491 5.94366 8.07916 8.4218 10.2644 numMergedOcc 0
27 mol 265 unq 1 iso 0 dist 7.27446 5.98618 7.71667 8.07916 8.4218 5.7944 numMergedOcc 0
28 mol 278 unq 0 iso 0 dist 8.8437 8.90946 13.7796 8.4608 8.44326 12.7641 numMergedOcc 0
29 mol 278 unq 1 iso 0 dist 8.8437 8.59795 10.2359 8.4608 8.44326 11.9592 numMergedOcc 0
