0 mol 59 unq 0 iso 0 dist 8.36175 8.72896 13.2932 9.52272 12.5626 5.85261 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 8.36175 6.62481 6.02058 9.52272 12.5626 6.66661 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 9.27478 9.87677 6.45012 6.04903 10.029 7.97193 numMergedOcc 0
3 mol 62 unq 1 iso 0 dist 6.38768 9.87677 13.1683 6.04903 9.53337 7.97193 numMergedOcc 0
4 mol 62 unq 2 iso 0 dist 6.31321 9.87677 11.4889 6.04903 6.71999 7.97193 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 9.51292 8.30176 12.4203 6.95465 4.04076 9.01596 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.82136 9.9928 8.82208 5.60389 5.3899 9.18958 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 7.26577 8.07135 10.8022 7.41399 13.4021 5.71483 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 7.26577 8.07135 10.8022 8.21165 15.0869 9.78763 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 7.26577 8.07135 10.8022 8.97945 10.1259 6.9287 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 7.26577 8.07135 10.8022 9.50664 3.76218 11.7983 numMergedOcc 0
11 mol 133 unq 4 iso 0 dist 7.26577 8.07135 10.8022 6.71555 5.51374 5.83691 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 8.60089 8.12589 5.54171 8.73468 6.05109 7.23332 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 8.60089 8.12589 5.54171 9.73927 9.44448 7.89336 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 8.54995 8.11592 5.64185 8.73558 6.21463 7.35366 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 8.54995 8.11592 5.64185 9.66129 9.57325 7.86976 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 8.84829 7.13269 9.98269 5.9032 5.36609 7.97232 numMergedOcc 0
17 mol 173 unq 0 iso 0 dist 6.21271 7.54706 6.12904 8.41245 12.8386 9.77146 numMergedOcc 0
18 mol 173 unq 1 iso 0 dist 6.21271 7.54706 6.12904 6.64779 9.00139 9.43677 numMergedOcc 0
19 mol 173 unq 2 iso 0 dist 8.94895 7.54706 10.9504 8.41245 14.5446 9.77146 numMergedOcc 0
20 mol 173 unq 3 iso 0 dist 8.94895 7.54706 10.9504 6.64779 7.55884 9.43677 numMergedOcc 0
21 mol 225 unq 0 iso 0 dist 8.14798 7.29542 9.7379 7.73748 3.7016 6.59663 numMergedOcc 0
22 mol 227 unq 0 iso 0 dist 6.38497 7.1372 6.30626 7.57454 7.3021 4.59123 numMergedOcc 0
23 mol 273 unq 0 iso 0 dist 8.59684 6.94131 5.23774 8.85779 9.23974 9.76492 numMergedOcc 0
24 mol 273 unq 1 iso 0 dist 8.59684 9.84628 9.97942 8.85779 9.23974 13.6188 numMergedOcc 0
