0 mol 98 unq 0 iso 0 dist 9.58693 15.6711 9.59261 11.8272 10.6225 6.67936 numMergedOcc 0
1 mol 98 unq 1 iso 0 dist 9.58693 15.6711 9.59261 15.5351 12.7411 8.25817 numMergedOcc 0
2 mol 102 unq 0 iso 0 dist 5.79411 10.6581 9.80678 14.0273 9.15076 9.43411 numMergedOcc 0
3 mol 114 unq 0 iso 0 dist 7.91231 12.5962 7.25166 11.1736 11.6284 8.42445 numMergedOcc 0
4 mol 147 unq 0 iso 0 dist 9.11046 4.02727 9.18866 12.3468 15.2746 9.84695 numMergedOcc 0
5 mol 206 unq 0 iso 0 dist 6.18991 6.08627 6.97859 11.692 7.08143 9.72979 numMergedOcc 0
6 mol 206 unq 1 iso 0 dist 8.68547 7.78218 6.97859 11.6563 7.08143 9.72979 numMergedOcc 0
7 mol 234 unq 0 iso 0 dist 9.5181 7.03383 8.47009 12.0771 7.82322 5.89084 numMergedOcc 0
8 mol 249 unq 0 iso 0 dist 9.0157 10.0482 5.78121 9.14351 8.34718 7.29898 numMergedOcc 0
9 mol 249 unq 1 iso 0 dist 9.14351 10.0482 7.29898 9.0157 8.34718 5.78121 numMergedOcc 0
10 mol 257 unq 0 iso 0 dist 9.13483 4.43997 8.69184 6.44188 5.74182 8.18901 numMergedOcc 0
11 mol 257 unq 1 iso 0 dist 6.44188 4.43997 8.18901 9.13483 5.74182 8.69184 numMergedOcc 0
12 mol 257 unq 2 iso 0 dist 5.16581 3.72932 8.69184 5.13633 5.74182 8.18901 numMergedOcc 0
13 mol 257 unq 3 iso 0 dist 5.13633 3.72932 8.18901 5.16581 5.74182 8.69184 numMergedOcc 0
14 mol 257 unq 4 iso 0 dist 8.99981 5.42185 4.97263 6.50405 5.6276 5.36776 numMergedOcc 0
15 mol 257 unq 5 iso 0 dist 6.50405 5.42185 5.36776 8.99981 5.6276 4.97263 numMergedOcc 0
16 mol 276 unq 0 iso 0 dist 6.97104 12.6916 9.05218 15.1762 8.56707 7.70061 numMergedOcc 0
17 mol 276 unq 1 iso 0 dist 8.63281 11.5683 9.05218 15.7111 8.56707 7.70061 numMergedOcc 0
18 mol 277 unq 0 iso 0 dist 6.86014 9.93994 6.90434 15.2802 12.7728 8.57532 numMergedOcc 0
19 mol 277 unq 1 iso 0 dist 6.86014 9.93994 6.90434 12.4435 7.08227 9.02914 numMergedOcc 0
20 mol 277 unq 2 iso 0 dist 5.97073 9.83255 6.90434 17.2053 12.7728 8.57532 numMergedOcc 0
21 mol 277 unq 3 iso 0 dist 5.97073 9.83255 6.90434 11.2713 7.08227 9.02914 numMergedOcc 0
22 mol 277 unq 4 iso 0 dist 8.23147 11.3539 9.02914 16.4174 9.50605 8.57532 numMergedOcc 0
23 mol 277 unq 5 iso 0 dist 8.23147 11.3539 9.02914 6.49176 7.08227 6.90434 numMergedOcc 0
24 mol 277 unq 6 iso 0 dist 6.49176 11.3539 6.90434 16.4174 12.7728 8.57532 numMergedOcc 0
25 mol 277 unq 7 iso 0 dist 6.49176 11.3539 6.90434 8.23147 7.08227 9.02914 numMergedOcc 0
26 mol 277 unq 8 iso 0 dist 8.20217 13.4481 9.02914 15.4405 9.50605 8.57532 numMergedOcc 0
27 mol 277 unq 9 iso 0 dist 8.20217 13.4481 9.02914 11.4928 7.08227 6.90434 numMergedOcc 0
