0 mol 4 unq 0 iso 0 dist 5.71752 4.4368 7.09907 5.5277 7.72343 8.92676 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 6.30479 4.19741 5.4424 13.8452 9.57675 14.2898 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 6.56878 11.359 9.67403 6.43227 9.32664 17.1697 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 6.56878 10.9697 7.28917 6.43227 9.32664 10.4547 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 9.27657 14.0757 8.52125 12.1806 9.95103 12.9454 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 8.92763 11.7338 5.52402 8.54887 6.80069 5.97199 numMergedOcc 0
6 mol 108 unq 1 iso 0 dist 8.92763 4.89603 6.79804 8.54887 6.80069 6.62194 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.35267 16.7529 9.79844 9.58922 9.10677 17.8562 numMergedOcc 0
8 mol 124 unq 0 iso 0 dist 8.25764 12.0836 7.83509 6.12676 8.18186 7.34966 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 8.32453 10.559 5.46716 11.3048 5.75595 6.3462 numMergedOcc 0
10 mol 143 unq 1 iso 0 dist 8.13798 4.49942 5.46716 9.49041 5.75595 6.3462 numMergedOcc 0
11 mol 143 unq 2 iso 0 dist 5.25485 5.03245 5.46716 5.39614 5.75595 6.3462 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 9.3072 11.075 5.55129 7.65889 7.32163 5.03347 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 8.78461 10.4943 5.53778 7.40938 7.42372 4.80033 numMergedOcc 0
14 mol 217 unq 0 iso 0 dist 7.19347 9.47932 5.89788 6.14368 9.37899 7.32888 numMergedOcc 0
15 mol 217 unq 1 iso 0 dist 7.19347 9.47932 5.89788 4.54018 6.14304 10.7793 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 7.60093 5.18467 6.14732 6.3672 8.61546 4.21811 numMergedOcc 0
17 mol 227 unq 1 iso 0 dist 7.60093 5.18467 6.14732 12.1433 7.17024 11.032 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 6.82475 7.64186 8.88613 4.88651 6.86251 4.32578 numMergedOcc 0
19 mol 235 unq 1 iso 0 dist 6.82475 7.64186 8.88613 6.99274 6.20377 13.1619 numMergedOcc 0
