0 mol 26 unq 0 iso 0 dist 8.98417 10.7786 5.497 6.93801 5.45023 8.42581 13.3003 4.36675 6.15893 8.95026 numMergedOcc 0
1 mol 41 unq 0 iso 0 dist 9.18836 6.26099 6.73801 7.89705 6.32189 5.52067 6.07294 10.1421 6.42834 4.85777 numMergedOcc 0
2 mol 41 unq 1 iso 0 dist 6.07294 6.26099 6.42834 7.89705 4.85777 5.52067 9.18836 10.1421 6.73801 6.32189 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 4.5673 11.1279 9.62637 14.1854 10.493 7.95778 9.72013 5.69343 7.21995 6.19841 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.31426 9.81259 7.1539 6.97288 7.75408 9.28578 12.1756 6.34272 5.39745 12.1199 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 6.15654 7.31722 5.39745 15.5787 12.1199 9.28578 11.9868 6.34272 7.1539 7.75408 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 7.61237 10.8984 6.98158 6.4028 4.68499 9.89462 14.3492 10.8727 7.75012 10.9902 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.36723 5.73251 6.71555 9.91403 5.83691 8.07135 10.9439 9.63809 7.41399 5.71483 numMergedOcc 0
8 mol 133 unq 1 iso 0 dist 8.36723 5.73251 6.71555 9.91403 5.83691 8.07135 12.7942 12.3323 8.21165 9.78763 numMergedOcc 0
9 mol 133 unq 2 iso 0 dist 8.36723 5.73251 6.71555 9.91403 5.83691 8.07135 13.0257 5.75201 8.97945 6.9287 numMergedOcc 0
10 mol 133 unq 3 iso 0 dist 8.36723 5.73251 6.71555 9.91403 5.83691 8.07135 10.7389 5.98781 9.50664 11.7983 numMergedOcc 0
11 mol 146 unq 0 iso 0 dist 8.68292 7.14836 6.50043 13.5611 7.20408 8.68349 10.7403 5.54669 9.44952 6.00811 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 6.86997 6.43817 8.73468 11.1382 7.23332 8.12589 7.46919 4.32771 9.73927 7.89336 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 7.46919 6.43817 9.73927 11.1382 7.89336 8.12589 6.86997 4.32771 8.73468 7.23332 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 6.79381 6.48058 8.73558 11.1473 7.35366 8.11592 7.36989 4.39943 9.66129 7.86976 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 7.36989 6.48058 9.66129 11.1473 7.86976 8.11592 6.79381 4.39943 8.73558 7.35366 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 9.31172 8.94838 6.64779 13.2419 9.43677 7.54706 15.8158 7.69792 8.41245 9.77146 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 9.85821 10.9858 5.88802 12.02 4.04521 8.8827 13.931 11.3911 7.02079 12.6361 numMergedOcc 0
