0 mol 98 unq 0 iso 0 dist 7.91249 10.8784 9.83528 6.58436 7.92856 11.4714 numMergedOcc 0
1 mol 98 unq 1 iso 0 dist 7.91249 12.9987 7.54969 6.58436 7.92856 12.9689 numMergedOcc 0
2 mol 98 unq 2 iso 0 dist 7.94919 13.9929 9.83528 15.8684 7.92856 11.4714 numMergedOcc 0
3 mol 98 unq 3 iso 0 dist 7.94919 8.65823 7.54969 15.8684 7.92856 12.9689 numMergedOcc 0
4 mol 113 unq 0 iso 0 dist 6.70974 10.0476 9.70016 7.5374 9.59585 13.586 numMergedOcc 0
5 mol 113 unq 1 iso 0 dist 6.70974 10.0476 9.70016 6.20187 9.7073 5.90637 numMergedOcc 0
6 mol 113 unq 2 iso 0 dist 7.37883 7.4256 9.70016 12.3056 9.59585 13.586 numMergedOcc 0
7 mol 113 unq 3 iso 0 dist 7.37883 7.4256 9.70016 6.316 9.7073 5.90637 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 6.68587 4.52761 5.06555 9.54191 6.42623 8.14689 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 6.68587 4.52761 5.06555 9.65372 8.95899 5.74365 numMergedOcc 0
10 mol 169 unq 0 iso 0 dist 6.67261 7.6165 6.28961 7.73114 9.37946 12.9917 numMergedOcc 0
11 mol 169 unq 1 iso 0 dist 6.67261 7.6165 6.28961 5.97439 9.13646 12.2955 numMergedOcc 0
12 mol 169 unq 2 iso 0 dist 6.67261 7.6165 6.28961 8.49397 8.34216 11.6543 numMergedOcc 0
13 mol 169 unq 3 iso 0 dist 7.75687 7.75256 6.28961 12.5319 9.37946 12.9917 numMergedOcc 0
14 mol 169 unq 4 iso 0 dist 7.75687 7.75256 6.28961 6.30459 9.13646 12.2955 numMergedOcc 0
15 mol 169 unq 5 iso 0 dist 7.75687 7.75256 6.28961 5.70968 8.34216 11.6543 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 9.37642 14.5682 8.58471 13.7158 6.85824 8.19655 numMergedOcc 0
17 mol 237 unq 0 iso 0 dist 9.88189 5.3482 9.59483 17.1827 9.14911 18.1875 numMergedOcc 0
18 mol 237 unq 1 iso 0 dist 9.88189 17.9479 8.42717 17.1827 9.14911 4.38713 numMergedOcc 0
19 mol 237 unq 2 iso 0 dist 4.78488 14.2471 9.59483 6.64721 9.14911 18.1875 numMergedOcc 0
20 mol 237 unq 3 iso 0 dist 4.78488 4.89437 8.42717 6.64721 9.14911 4.38713 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 7.144 10.4452 7.23956 9.56182 4.9764 9.7252 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 7.144 10.4452 7.23956 7.8548 6.36559 10.5201 numMergedOcc 0
23 mol 287 unq 0 iso 0 dist 8.45131 6.33623 7.95849 9.17126 9.76232 7.22067 numMergedOcc 0
24 mol 288 unq 0 iso 0 dist 8.45131 6.33623 7.95849 9.17126 9.76232 7.22067 numMergedOcc 0
25 mol 289 unq 0 iso 0 dist 8.45131 6.33623 7.95849 9.17126 9.76232 7.22067 numMergedOcc 0
