0 mol 10 unq 0 iso 0 dist 6.68744 5.04413 6.77807 6.77277 6.94628 7.82875 numMergedOcc 0
1 mol 33 unq 0 iso 0 dist 8.28474 3.77979 4.64187 11.3844 3.63113 7.84077 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 4.90093 4.58473 5.64092 10.4039 6.89433 7.50377 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 8.82347 6.5455 8.71074 13.3161 11.7176 7.50377 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 9.82679 4.9582 9.21761 11.613 8.49975 7.318 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 7.88522 11.4291 8.61641 11.1874 9.79852 5.25361 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 9.55089 7.78693 5.35861 12.2 4.48523 5.25361 numMergedOcc 0
7 mol 83 unq 2 iso 0 dist 7.22942 7.78693 8.61641 12.2 9.79852 5.25361 numMergedOcc 0
8 mol 168 unq 0 iso 0 dist 7.93917 11.412 7.0961 11.2715 3.60864 8.18217 numMergedOcc 0
9 mol 168 unq 1 iso 0 dist 7.93917 14.5433 8.21227 11.2715 3.60864 5.51167 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 7.005 6.01218 9.34653 6.94326 5.28021 6.84679 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 6.04509 9.89658 7.98132 9.41142 4.8207 7.71863 numMergedOcc 0
12 mol 287 unq 0 iso 0 dist 7.81225 8.31788 6.22311 13.6206 9.67218 8.43856 numMergedOcc 0
13 mol 287 unq 1 iso 0 dist 7.81225 8.31788 6.22311 9.10727 5.1451 5.83857 numMergedOcc 0
14 mol 287 unq 2 iso 0 dist 7.81225 8.31788 6.22311 7.92464 5.15725 5.32839 numMergedOcc 0
15 mol 288 unq 0 iso 0 dist 7.81225 8.31788 6.22311 13.6206 9.67218 8.43856 numMergedOcc 0
16 mol 288 unq 1 iso 0 dist 7.81225 8.31788 6.22311 9.10727 5.1451 5.83857 numMergedOcc 0
17 mol 288 unq 2 iso 0 dist 7.81225 8.31788 6.22311 7.92464 5.15725 5.32839 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.81225 8.31788 6.22311 13.6206 9.67218 8.43856 numMergedOcc 0
19 mol 289 unq 1 iso 0 dist 7.81225 8.31788 6.22311 9.10727 5.1451 5.83857 numMergedOcc 0
20 mol 289 unq 2 iso 0 dist 7.81225 8.31788 6.22311 7.92464 5.15725 5.32839 numMergedOcc 0
