0 mol 74 unq 0 iso 0 dist 9.4866 7.39752 6.3567 10.4655 4.79817 7.93281 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 5.22996 7.25403 7.0561 10.869 6.86728 7.06939 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 7.15197 11.4151 7.27506 16.3694 14.484 9.3948 numMergedOcc 0
3 mol 115 unq 0 iso 0 dist 8.99731 6.3642 8.4965 7.44784 5.61704 6.04595 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 8.84146 17.7274 9.57341 18.7218 13.52 8.95212 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 8.84146 17.7274 9.57341 13.052 4.99056 6.99446 numMergedOcc 0
6 mol 119 unq 2 iso 0 dist 8.84146 17.7274 9.57341 10.2589 3.78311 7.64052 numMergedOcc 0
7 mol 143 unq 0 iso 0 dist 6.93136 12.1494 8.68663 12.703 10.8441 5.40637 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.19078 9.3543 6.92726 14.7399 9.22869 6.41689 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 9.19078 9.3543 6.92726 14.1631 5.71767 9.07758 numMergedOcc 0
10 mol 154 unq 0 iso 0 dist 6.31314 5.93188 9.82982 9.04554 6.55507 8.33439 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 9.04499 12.9462 7.97027 7.27481 6.42798 6.74196 numMergedOcc 0
12 mol 222 unq 1 iso 0 dist 9.04499 9.50604 4.9876 7.27481 6.42798 8.36842 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 8.83751 3.28983 6.43209 9.27989 7.34872 6.73665 numMergedOcc 0
14 mol 239 unq 1 iso 0 dist 8.83751 3.28983 6.43209 12.015 7.5231 9.34438 numMergedOcc 0
15 mol 239 unq 2 iso 0 dist 8.83751 3.28983 6.43209 11.3081 4.15997 9.35949 numMergedOcc 0
16 mol 239 unq 3 iso 0 dist 8.77688 3.28983 8.48769 9.27989 8.9361 6.73665 numMergedOcc 0
17 mol 239 unq 4 iso 0 dist 8.77688 3.28983 8.48769 12.015 14.4518 9.34438 numMergedOcc 0
18 mol 239 unq 5 iso 0 dist 8.77688 3.28983 8.48769 11.3081 5.66218 9.35949 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 7.5355 4.91802 5.81528 6.47376 6.15987 6.35028 numMergedOcc 0
20 mol 279 unq 1 iso 0 dist 7.88343 9.35656 5.81528 9.6147 6.15987 6.35028 numMergedOcc 0
