0 mol 1 unq 0 iso 0 dist 9.19543 8.70365 8.18355 7.68779 6.13271 8.37144 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 9.19543 9.33719 4.34307 7.68779 6.13271 7.29854 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 7.31362 4.52881 8.1394 7.16036 5.68567 6.07691 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 6.47185 7.06922 7.00296 9.31319 4.71369 6.3156 numMergedOcc 0
4 mol 46 unq 1 iso 0 dist 6.47185 7.06922 7.00296 8.2513 5.80658 5.37608 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 8.22841 8.46207 14.4069 8.60577 6.59479 10.2349 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 5.74014 8.46207 10.7834 8.60577 4.91166 10.2349 numMergedOcc 0
7 mol 103 unq 0 iso 0 dist 9.66944 6.13194 14.9897 5.94478 9.57454 7.24773 numMergedOcc 0
8 mol 110 unq 0 iso 0 dist 8.74224 9.35378 5.84646 6.59361 4.65767 8.6616 numMergedOcc 0
9 mol 110 unq 1 iso 0 dist 5.33139 9.35378 6.69022 6.59361 5.33778 8.6616 numMergedOcc 0
10 mol 153 unq 0 iso 0 dist 6.19646 7.53192 10.6511 9.79001 10.2323 7.16014 numMergedOcc 0
11 mol 178 unq 0 iso 0 dist 5.79795 8.65373 10.0936 6.01118 6.96904 12.4317 numMergedOcc 0
12 mol 178 unq 1 iso 0 dist 5.79795 8.6561 10.6425 6.01118 6.96904 9.99051 numMergedOcc 0
13 mol 178 unq 2 iso 0 dist 5.79795 9.1197 11.9332 6.01118 6.96904 5.13245 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 8.86262 5.16184 6.91511 6.31492 4.61382 5.40949 numMergedOcc 0
15 mol 182 unq 1 iso 0 dist 7.23874 5.16184 4.98443 6.31492 8.09718 5.40949 numMergedOcc 0
16 mol 182 unq 2 iso 0 dist 6.06892 8.54162 12.8033 7.8621 11.8631 5.40949 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 9.24248 7.70035 11.3996 8.74123 5.3777 6.94141 numMergedOcc 0
18 mol 261 unq 0 iso 0 dist 8.40312 8.9569 5.26963 7.26647 12.6092 15.1428 numMergedOcc 0
19 mol 261 unq 1 iso 0 dist 8.40312 8.9569 5.26963 7.7309 13.0522 15.7709 numMergedOcc 0
20 mol 265 unq 0 iso 0 dist 5.90175 9.97669 6.97261 4.96568 4.75685 5.11366 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 7.07268 8.85653 7.27711 8.27977 4.51764 6.03718 numMergedOcc 0
22 mol 282 unq 0 iso 0 dist 8.07221 9.40138 16.1355 7.70229 12.878 4.58403 numMergedOcc 0
23 mol 282 unq 1 iso 0 dist 8.07221 9.40138 16.1355 7.90792 12.8251 5.04235 numMergedOcc 0
24 mol 282 unq 2 iso 0 dist 8.07221 8.37963 5.14293 7.70229 12.878 14.9812 numMergedOcc 0
25 mol 282 unq 3 iso 0 dist 8.07221 8.37963 5.14293 7.90792 12.8251 15.4482 numMergedOcc 0
