0 mol 28 unq 0 iso 0 dist 7.7871 6.94749 8.79638 7.91577 8.47637 12.1817 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 7.7871 7.04268 6.42785 7.91577 8.47637 4.80296 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 7.7871 6.5776 5.75809 7.91577 8.47637 7.20041 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.81735 9.65232 7.62814 8.09226 6.89022 10.3846 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 8.11813 13.2936 8.69371 4.25602 6.34004 9.37246 numMergedOcc 0
5 mol 124 unq 0 iso 0 dist 8.50362 9.2094 9.66083 16.6005 9.0745 13.4697 numMergedOcc 0
6 mol 170 unq 0 iso 0 dist 6.7638 5.03331 6.38976 9.23684 5.14196 7.47539 numMergedOcc 0
7 mol 194 unq 0 iso 0 dist 9.81055 11.9085 7.31316 11.6792 8.93352 16.0694 numMergedOcc 0
8 mol 194 unq 1 iso 0 dist 9.81055 13.7794 8.9865 11.6792 8.93352 6.34292 numMergedOcc 0
9 mol 209 unq 0 iso 0 dist 5.88616 5.59713 8.38539 4.66733 7.93461 5.06827 numMergedOcc 0
10 mol 233 unq 0 iso 0 dist 8.2484 5.33647 5.22629 9.28737 8.07857 5.67992 numMergedOcc 0
11 mol 252 unq 0 iso 0 dist 9.09279 15.5066 7.38867 7.39922 8.63893 13.2785 numMergedOcc 0
12 mol 254 unq 0 iso 0 dist 5.83039 8.48478 8.87934 9.92619 6.56151 6.89801 numMergedOcc 0
13 mol 254 unq 1 iso 0 dist 5.83039 8.48478 8.87934 6.33436 6.58752 9.83174 numMergedOcc 0
14 mol 254 unq 2 iso 0 dist 5.83039 9.66767 9.47133 9.92619 6.56151 12.4202 numMergedOcc 0
15 mol 254 unq 3 iso 0 dist 5.83039 9.66767 9.47133 6.33436 6.58752 14.4667 numMergedOcc 0
16 mol 254 unq 4 iso 0 dist 6.74364 8.48478 9.66687 9.92619 8.3417 6.89801 numMergedOcc 0
17 mol 254 unq 5 iso 0 dist 6.74364 9.66767 7.61537 9.92619 8.3417 12.4202 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 8.67957 9.77416 8.90108 6.50006 8.87546 11.4732 numMergedOcc 0
