0 mol 28 unq 0 iso 0 dist 6.53312 9.04621 9.1051 10.4653 14.7412 8.24422 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 6.53312 9.04621 9.1051 5.51879 11.2344 8.99724 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 5.9948 6.75443 9.06486 6.18197 10.1412 8.48456 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 5.9948 9.02508 12.9129 13.6562 18.6656 7.24073 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 5.9948 8.44081 9.1051 12.3614 14.7412 8.24422 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 5.9948 8.44081 9.1051 9.5295 11.2344 8.99724 numMergedOcc 0
6 mol 32 unq 0 iso 0 dist 8.65462 5.73722 8.35818 14.2927 17.0317 9.46895 numMergedOcc 0
7 mol 44 unq 0 iso 0 dist 7.20409 9.06073 11.0602 5.4204 11.3936 8.47518 numMergedOcc 0
8 mol 44 unq 1 iso 0 dist 5.93729 9.06073 6.3575 5.4204 9.17447 8.47518 numMergedOcc 0
9 mol 44 unq 2 iso 0 dist 9.7328 9.06073 3.97557 5.4204 11.1429 8.47518 numMergedOcc 0
10 mol 59 unq 0 iso 0 dist 6.64067 8.34508 4.97125 9.54356 11.0324 9.92079 numMergedOcc 0
11 mol 63 unq 0 iso 0 dist 8.23695 8.1123 10.6342 4.24825 12.0713 9.56188 numMergedOcc 0
12 mol 63 unq 1 iso 0 dist 7.04212 8.1123 5.97055 4.24825 10.0764 9.56188 numMergedOcc 0
13 mol 75 unq 0 iso 0 dist 8.4689 6.8025 5.42608 4.65814 11.7744 8.57695 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 8.08937 5.72842 10.1337 6.69867 13.5818 8.09751 numMergedOcc 0
15 mol 128 unq 0 iso 0 dist 9.20442 9.83003 6.41259 5.54195 8.83811 6.93718 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 7.7195 8.63202 12.1824 6.94063 11.3235 4.59484 numMergedOcc 0
17 mol 171 unq 1 iso 0 dist 9.43988 8.63202 7.47696 6.94063 9.1056 4.59484 numMergedOcc 0
18 mol 171 unq 2 iso 0 dist 8.30819 4.46397 12.1824 4.53761 11.3235 4.59484 numMergedOcc 0
19 mol 180 unq 0 iso 0 dist 8.34083 9.82683 5.76764 5.25253 9.3777 8.2817 numMergedOcc 0
20 mol 222 unq 0 iso 0 dist 6.17749 8.27605 6.45821 4.56851 4.87053 5.17916 numMergedOcc 0
21 mol 226 unq 0 iso 0 dist 9.8767 7.58016 7.06868 5.48857 10.7844 6.19519 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 6.97966 9.50208 9.00595 9.85051 13.2682 7.66323 numMergedOcc 0
23 mol 241 unq 0 iso 0 dist 9.68842 9.11776 4.91852 7.42343 12.6008 8.90691 numMergedOcc 0
24 mol 241 unq 1 iso 0 dist 9.23127 9.11776 5.98686 7.42343 11.9982 8.90691 numMergedOcc 0
