0 mol 76 unq 0 iso 0 dist 6.74134 5.1763 9.76184 10.5571 9.79714 8.73236 numMergedOcc 0
1 mol 94 unq 0 iso 0 dist 6.33571 4.48902 8.30781 4.7907 7.34401 4.83168 numMergedOcc 0
2 mol 98 unq 0 iso 0 dist 7.7946 13.0952 7.40481 15.403 9.58693 4.75433 numMergedOcc 0
3 mol 98 unq 1 iso 0 dist 7.7946 13.0952 7.40481 9.57791 9.48388 16.7643 numMergedOcc 0
4 mol 158 unq 0 iso 0 dist 8.99498 5.4282 8.11023 8.85644 8.45117 7.32168 numMergedOcc 0
5 mol 158 unq 1 iso 0 dist 8.95898 6.17339 8.11023 5.6787 8.45117 7.32168 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 5.97162 6.43666 8.39237 9.40374 5.47189 13.4775 numMergedOcc 0
7 mol 206 unq 0 iso 0 dist 5.98212 7.03455 5.90912 8.89771 6.18991 4.88904 numMergedOcc 0
8 mol 228 unq 0 iso 0 dist 7.4244 5.32006 8.27678 4.91976 8.89311 4.83458 numMergedOcc 0
9 mol 228 unq 1 iso 0 dist 7.40089 6.37753 8.26664 4.96692 8.81885 4.84511 numMergedOcc 0
10 mol 228 unq 2 iso 0 dist 7.19441 5.25888 8.26664 5.06474 8.81885 4.84511 numMergedOcc 0
11 mol 228 unq 3 iso 0 dist 7.21082 6.25447 8.27678 4.70843 8.89311 4.83458 numMergedOcc 0
12 mol 236 unq 0 iso 0 dist 6.35418 8.32011 9.26228 6.37876 9.85618 8.05458 numMergedOcc 0
13 mol 243 unq 0 iso 0 dist 6.30075 12.5403 9.87759 6.39341 8.19458 7.84735 numMergedOcc 0
14 mol 243 unq 1 iso 0 dist 6.30075 12.5403 9.87759 6.81965 9.45133 9.66206 numMergedOcc 0
15 mol 243 unq 2 iso 0 dist 6.30075 9.97479 6.0854 6.39341 8.19458 7.07529 numMergedOcc 0
16 mol 243 unq 3 iso 0 dist 6.30075 9.97479 6.0854 6.81965 9.45133 9.86055 numMergedOcc 0
17 mol 243 unq 4 iso 0 dist 6.30075 8.68324 7.86504 6.39341 8.19458 4.67674 numMergedOcc 0
18 mol 243 unq 5 iso 0 dist 6.30075 8.68324 7.86504 6.81965 9.45133 5.00798 numMergedOcc 0
19 mol 243 unq 6 iso 0 dist 9.7462 13.709 9.87759 6.87862 8.19458 7.84735 numMergedOcc 0
20 mol 243 unq 7 iso 0 dist 9.7462 13.709 9.87759 10.3832 9.45133 9.66206 numMergedOcc 0
21 mol 243 unq 8 iso 0 dist 9.7462 11.0734 6.0854 6.87862 8.19458 7.07529 numMergedOcc 0
22 mol 243 unq 9 iso 0 dist 9.7462 11.0734 6.0854 10.3832 9.45133 9.86055 numMergedOcc 0
23 mol 243 unq 10 iso 0 dist 9.7462 11.1575 7.86504 6.87862 8.19458 4.67674 numMergedOcc 0
24 mol 243 unq 11 iso 0 dist 9.7462 11.1575 7.86504 10.3832 9.45133 5.00798 numMergedOcc 0
25 mol 257 unq 0 iso 0 dist 6.19814 10.1063 8.68995 7.16436 5.16581 4.91688 numMergedOcc 0
26 mol 257 unq 1 iso 0 dist 6.19814 10.1063 8.68995 5.85328 5.13633 6.25954 numMergedOcc 0
27 mol 270 unq 0 iso 0 dist 8.46756 9.754 6.17797 12.6201 9.02113 13.1723 numMergedOcc 0
28 mol 271 unq 0 iso 0 dist 6.67008 10.5129 8.56431 6.00331 7.59727 5.49799 numMergedOcc 0
29 mol 292 unq 0 iso 0 dist 6.59906 10.1711 8.23483 9.6377 6.02089 5.08702 numMergedOcc 0
30 mol 292 unq 1 iso 0 dist 6.59906 10.1711 8.23483 5.0721 6.87804 11.5813 numMergedOcc 0
31 mol 292 unq 2 iso 0 dist 7.1839 5.57013 9.21126 5.0721 6.07571 8.50714 numMergedOcc 0
