0 mol 10 unq 0 iso 0 dist 8.19933 8.12738 9.17574 13.87 11.2695 6.47424 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 8.19933 8.12738 9.17574 8.33546 6.42677 9.59744 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.16033 3.42062 9.42099 8.38139 7.16993 9.07283 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 9.3341 10.9631 6.76315 10.4009 4.31691 9.2397 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 7.42828 6.21311 9.97813 8.42914 5.75219 7.09177 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 5.98441 7.17072 9.97813 8.17327 5.75219 7.09177 numMergedOcc 0
6 mol 91 unq 2 iso 0 dist 5.45873 10.0233 9.97813 9.52936 5.75219 7.09177 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.62881 16.9936 9.69694 13.8734 5.60623 8.65162 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 8.29506 8.25205 5.56839 11.4058 6.87756 8.92653 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 7.24843 3.27874 5.56839 9.00874 6.87756 8.92653 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 6.58492 8.25205 7.83506 11.4058 5.82092 8.92653 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 7.63783 3.27874 7.83506 9.00874 5.82092 8.92653 numMergedOcc 0
12 mol 93 unq 4 iso 0 dist 6.70158 3.99275 7.48947 5.27541 6.45786 5.96189 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 6.45174 8.58563 5.54226 9.75688 4.49443 9.46616 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 8.70427 3.68143 5.54226 12.3108 4.49443 9.46616 numMergedOcc 0
15 mol 158 unq 0 iso 0 dist 8.94488 5.94889 4.6512 13.2004 6.4617 8.24681 numMergedOcc 0
16 mol 158 unq 1 iso 0 dist 8.94488 5.94889 4.6512 10.3574 6.99918 6.51748 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.77211 8.73397 8.2241 5.52744 5.48326 7.00382 numMergedOcc 0
18 mol 281 unq 0 iso 0 dist 6.67593 3.86368 6.18742 9.18565 14.815 9.05453 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 8.83246 9.80371 9.01437 14.1778 10.5335 4.83062 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 8.83246 9.80371 9.01437 15.2118 9.08006 8.65363 numMergedOcc 0
