0 mol 4 unq 0 iso 0 dist 5.31026 8.14612 7.77633 8.12032 4.83806 5.51567 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 8.46837 9.36191 8.63347 16.1338 10.2769 9.45103 numMergedOcc 0
2 mol 37 unq 0 iso 0 dist 5.98359 4.40037 8.98454 8.02122 5.12933 8.51021 numMergedOcc 0
3 mol 56 unq 0 iso 0 dist 8.23618 13.362 6.54758 15.7483 7.62116 5.91948 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 9.14778 14.2364 8.68698 15.2213 8.2865 5.10735 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 9.74763 10.4659 6.98077 11.697 5.74226 9.58844 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 8.51265 6.94742 4.33805 8.33909 5.65741 6.10658 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 8.09373 12.1879 9.82338 9.43841 4.83829 7.12029 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 8.09373 9.09562 7.99933 9.43841 4.83829 8.56602 numMergedOcc 0
9 mol 186 unq 2 iso 0 dist 8.40343 9.00121 7.7734 9.43841 4.98693 8.41456 numMergedOcc 0
10 mol 192 unq 0 iso 0 dist 7.72242 10.2336 7.578 14.9813 7.4314 9.62225 numMergedOcc 0
11 mol 207 unq 0 iso 0 dist 4.55528 6.68112 6.06003 14.1567 11.5669 9.93721 numMergedOcc 0
12 mol 207 unq 1 iso 0 dist 4.55528 6.68112 6.06003 8.06401 4.85991 6.29106 numMergedOcc 0
13 mol 228 unq 0 iso 0 dist 9.85855 9.26026 9.94849 12.9165 4.95664 9.96994 numMergedOcc 0
14 mol 239 unq 0 iso 0 dist 7.31087 7.64621 8.9327 12.9757 8.65126 8.03092 numMergedOcc 0
15 mol 243 unq 0 iso 0 dist 9.60437 9.84746 7.89993 12.196 4.96479 5.54003 numMergedOcc 0
16 mol 247 unq 0 iso 0 dist 9.48468 16.1686 7.95874 20.2105 11.346 5.52484 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 8.66917 6.23517 8.16952 9.02359 4.07526 9.44618 numMergedOcc 0
