0 mol 16 unq 0 iso 0 dist 6.61114 11.8738 8.4361 10.0644 5.64581 7.65729 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.32791 6.06435 6.28033 5.59641 5.59769 7.72142 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 8.43515 4.86452 6.32012 10.2726 5.2876 5.90391 numMergedOcc 0
3 mol 52 unq 0 iso 0 dist 8.52979 11.2457 5.26018 9.99694 6.86126 9.67023 numMergedOcc 0
4 mol 52 unq 1 iso 0 dist 8.52979 10.6296 7.1203 8.52059 6.55558 6.86785 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 7.59663 4.27997 8.40931 9.71282 7.40093 9.49909 numMergedOcc 0
6 mol 90 unq 0 iso 0 dist 8.14057 6.81831 8.44515 10.9414 10.4263 8.39015 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 9.58693 11.3093 5.85841 13.3483 6.83826 8.87856 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 9.58693 11.3093 5.85841 8.01128 9.30656 6.2491 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 9.58693 6.41542 6.78839 8.01128 9.30656 3.59451 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 8.23251 5.23253 9.3485 11.8503 7.53958 9.1109 numMergedOcc 0
11 mol 101 unq 1 iso 0 dist 8.23251 5.23253 9.3485 5.58941 4.79998 5.51185 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 6.61066 5.87235 6.04412 11.6178 5.71451 8.16113 numMergedOcc 0
13 mol 131 unq 0 iso 0 dist 7.49404 6.8279 9.33945 11.0356 8.25445 7.8034 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 6.91573 6.71726 7.15087 15.9036 13.1936 9.5355 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 9.11046 9.74941 6.87299 13.0033 5.90364 4.95086 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 9.05754 13.0201 6.21273 13.2343 4.90657 8.58709 numMergedOcc 0
17 mol 249 unq 0 iso 0 dist 9.0157 6.08224 7.72708 10.4751 9.50161 6.04688 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 8.14812 8.01298 8.40766 14.4288 9.45618 8.34471 numMergedOcc 0
