0 mol 85 unq 0 iso 0 dist 9.07918 13.7485 5.61151 15.3996 6.54289 2.58673 numMergedOcc 0
1 mol 85 unq 0 iso 1 dist 9.07918 15.3996 6.54289 13.7485 5.61151 2.58673 numMergedOcc 0
2 mol 113 unq 0 iso 0 dist 8.94447 4.8668 5.45882 8.60367 4.57487 3.74304 numMergedOcc 0
3 mol 113 unq 0 iso 1 dist 8.94447 8.60367 4.57487 4.8668 5.45882 3.74304 numMergedOcc 0
4 mol 197 unq 0 iso 0 dist 6.58245 4.05539 9.6071 9.33865 9.77656 9.2162 numMergedOcc 0
5 mol 197 unq 0 iso 1 dist 6.58245 9.33865 9.77656 4.05539 9.6071 9.2162 numMergedOcc 0
6 mol 205 unq 0 iso 0 dist 6.37411 12.0078 9.81165 8.82295 7.8423 9.77326 numMergedOcc 0
7 mol 205 unq 0 iso 1 dist 6.37411 8.82295 7.8423 12.0078 9.81165 9.77326 numMergedOcc 0
8 mol 205 unq 1 iso 0 dist 6.37411 12.0078 9.81165 3.30102 7.74029 10.1158 numMergedOcc 0
9 mol 205 unq 1 iso 1 dist 6.37411 3.30102 7.74029 12.0078 9.81165 10.1158 numMergedOcc 0
10 mol 205 unq 1 iso 0 dist 6.37411 8.82295 7.8423 3.30102 7.74029 9.13021 numMergedOcc 0
11 mol 205 unq 1 iso 1 dist 6.37411 3.30102 7.74029 8.82295 7.8423 9.13021 numMergedOcc 0
12 mol 212 unq 0 iso 0 dist 6.11919 5.18947 6.07371 8.28362 7.98532 3.62594 numMergedOcc 0
13 mol 212 unq 0 iso 1 dist 6.11919 8.28362 7.98532 5.18947 6.07371 3.62594 numMergedOcc 0
14 mol 254 unq 0 iso 0 dist 9.16587 5.5598 7.23916 3.71879 6.12653 3.15539 numMergedOcc 0
15 mol 254 unq 0 iso 1 dist 9.16587 3.71879 6.12653 5.5598 7.23916 3.15539 numMergedOcc 0
16 mol 264 unq 0 iso 0 dist 8.75957 17.1788 8.56867 15.0574 6.29872 2.95376 numMergedOcc 0
17 mol 264 unq 0 iso 1 dist 8.75957 15.0574 6.29872 17.1788 8.56867 2.95376 numMergedOcc 0
18 mol 287 unq 0 iso 0 dist 8.70062 7.70421 7.77225 9.73619 5.50067 9.30266 numMergedOcc 0
19 mol 287 unq 0 iso 1 dist 8.70062 9.73619 5.50067 7.70421 7.77225 9.30266 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 8.70062 7.70421 7.77225 9.73619 5.50067 9.30266 numMergedOcc 0
21 mol 288 unq 0 iso 1 dist 8.70062 9.73619 5.50067 7.70421 7.77225 9.30266 numMergedOcc 0
22 mol 289 unq 0 iso 0 dist 8.70062 7.70421 7.77225 9.73619 5.50067 9.30266 numMergedOcc 0
23 mol 289 unq 0 iso 1 dist 8.70062 9.73619 5.50067 7.70421 7.77225 9.30266 numMergedOcc 0
