0 mol 56 unq 0 iso 0 dist 9.94407 5.16401 6.51117 11.1102 3.87762 7.53964 numMergedOcc 0
1 mol 56 unq 1 iso 0 dist 9.94407 5.16401 6.51117 10.3301 5.6003 5.76961 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.37171 6.41115 4.27766 5.5087 10.0644 8.46627 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.37171 6.41115 4.27766 6.08682 12.1501 9.22208 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.62079 5.9144 4.27766 5.61588 10.0644 8.46627 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.62079 5.9144 4.27766 7.83244 12.1501 9.22208 numMergedOcc 0
6 mol 107 unq 0 iso 0 dist 9.45682 12.9752 6.49371 14.5329 5.88785 6.11492 numMergedOcc 0
7 mol 134 unq 0 iso 0 dist 6.09063 5.76063 6.76852 9.59883 5.00648 8.14226 numMergedOcc 0
8 mol 134 unq 1 iso 0 dist 6.09063 4.63567 4.94473 9.59883 5.00648 5.78982 numMergedOcc 0
9 mol 143 unq 0 iso 0 dist 8.64905 7.39837 6.60366 5.37047 10.4448 9.29944 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 7.48734 11.6594 6.53038 15.5201 8.60565 8.32353 numMergedOcc 0
11 mol 168 unq 1 iso 0 dist 5.6125 5.16335 6.53038 12.0682 8.60565 8.32353 numMergedOcc 0
12 mol 184 unq 0 iso 0 dist 8.22001 4.08775 7.25623 5.96423 3.30691 4.61596 numMergedOcc 0
13 mol 186 unq 0 iso 0 dist 9.65093 11.6282 9.4366 18.0351 10.872 8.36129 numMergedOcc 0
14 mol 186 unq 1 iso 0 dist 9.65093 11.6282 9.4366 16.7149 11.366 5.86483 numMergedOcc 0
15 mol 198 unq 0 iso 0 dist 9.7657 12.1607 7.04521 9.31526 3.70259 9.91727 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 9.31158 8.97813 7.68686 6.49765 6.49396 5.03818 numMergedOcc 0
17 mol 205 unq 1 iso 0 dist 9.31158 8.97813 7.68686 14.2129 8.93955 6.40171 numMergedOcc 0
18 mol 222 unq 0 iso 0 dist 5.1609 6.84862 8.88902 12.0171 10.1968 8.14294 numMergedOcc 0
19 mol 251 unq 0 iso 0 dist 8.45764 11.5298 7.72528 6.50357 3.45567 9.02417 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 7.42932 4.40029 5.13533 5.46926 5.9732 7.16209 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 7.42932 4.40029 5.13533 5.13913 3.79766 4.62936 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 4.9764 3.97543 5.13533 8.9682 5.9732 7.16209 numMergedOcc 0
23 mol 277 unq 3 iso 0 dist 4.9764 3.97543 5.13533 6.92711 3.79766 4.62936 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 9.96374 17.5073 9.21469 15.0074 7.72653 8.1635 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 9.96374 17.5073 9.21469 14.4052 5.36842 6.22943 numMergedOcc 0
26 mol 292 unq 2 iso 0 dist 9.96374 17.5073 9.21469 9.46442 3.08474 9.23612 numMergedOcc 0
27 mol 292 unq 3 iso 0 dist 9.93746 6.73772 9.56933 9.9886 3.44186 7.89938 numMergedOcc 0
