0 mol 34 unq 0 iso 0 dist 7.10899 13.0514 6.87871 12.1168 9.99939 15.1968 11.7558 5.3372 6.17472 9.48195 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.38387 7.67926 9.74445 4.15592 9.02471 5.46849 11.1748 9.69698 8.58709 7.80117 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.38387 7.67926 9.74445 4.15592 9.02471 5.46849 11.0563 5.90113 7.53564 9.79386 numMergedOcc 0
3 mol 122 unq 0 iso 0 dist 6.78949 9.13822 8.33083 6.80573 4.42563 12.2092 16.8397 11.9943 9.44209 16.2696 numMergedOcc 0
4 mol 122 unq 1 iso 0 dist 9.40018 3.45209 8.33083 12.9961 4.42563 12.2092 10.9845 11.9943 9.44209 16.2696 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 7.81337 6.68239 8.97145 3.97269 8.80895 5.51548 7.46875 5.29825 5.50364 8.44004 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 7.81337 7.74794 6.5874 3.97269 8.80895 5.61122 7.46875 5.29825 8.7301 8.44004 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 12.8334 9.00072 17.3816 12.9009 9.50073 8.84852 18.0432 numMergedOcc 0
8 mol 183 unq 0 iso 0 dist 7.07224 7.93856 7.31181 3.4049 9.96536 10.7786 11.9371 6.00494 9.81282 14.2416 numMergedOcc 0
9 mol 239 unq 0 iso 0 dist 6.44212 11.0479 6.37342 3.71488 4.43499 7.72768 10.9473 4.77446 4.21935 7.99963 numMergedOcc 0
10 mol 257 unq 0 iso 0 dist 7.82899 5.95774 5.36776 11.7751 9.6834 12.8843 11.093 5.99362 5.65496 15.1379 numMergedOcc 0
11 mol 274 unq 0 iso 0 dist 8.49076 5.66978 9.02749 7.72539 8.12739 12.2201 10.81 11.3084 7.59956 14.266 numMergedOcc 0
12 mol 274 unq 1 iso 0 dist 8.49076 5.66978 9.02749 7.72539 8.12739 12.2201 12.493 16.897 8.05503 19.8211 numMergedOcc 0
13 mol 274 unq 2 iso 0 dist 8.49076 5.66978 9.02749 7.72539 8.12739 12.2201 7.03782 13.8866 5.59151 14.3673 numMergedOcc 0
14 mol 274 unq 3 iso 0 dist 8.49076 5.66978 9.02749 8.78528 6.09853 12.2802 10.81 11.3084 7.59956 16.0242 numMergedOcc 0
15 mol 274 unq 4 iso 0 dist 8.49076 5.66978 9.02749 8.78528 6.09853 12.2802 12.493 16.897 8.05503 20.1079 numMergedOcc 0
16 mol 274 unq 5 iso 0 dist 8.49076 5.66978 9.02749 8.78528 6.09853 12.2802 7.03782 13.8866 5.59151 15.6735 numMergedOcc 0
17 mol 277 unq 0 iso 0 dist 8.96343 13.4151 9.02914 7.9169 7.42932 11.5613 21.7392 17.0927 9.42812 20.9727 numMergedOcc 0
18 mol 277 unq 1 iso 0 dist 9.29635 15.5244 6.90434 7.31817 4.9764 11.5613 24.5235 16.2915 9.42812 20.9727 numMergedOcc 0
19 mol 277 unq 2 iso 0 dist 9.29635 15.5244 6.90434 3.91224 6.36559 13.0566 24.5235 16.2915 9.42812 22.4051 numMergedOcc 0
