0 mol 54 unq 0 iso 0 dist 9.90537 7.05787 4.54652 7.89001 11.9881 7.54869 numMergedOcc 0
1 mol 54 unq 1 iso 0 dist 9.90537 7.05787 4.54652 10.1199 10.3564 6.29729 numMergedOcc 0
2 mol 61 unq 0 iso 0 dist 9.19647 7.29862 8.88571 10.9015 5.4671 6.97123 numMergedOcc 0
3 mol 61 unq 1 iso 0 dist 9.19647 7.29862 8.88571 15.5265 10.1513 9.532 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 8.12417 4.74602 7.24945 10.1907 5.26206 7.4804 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 8.99189 8.32084 7.76963 5.17291 5.31439 9.19402 numMergedOcc 0
6 mol 76 unq 2 iso 0 dist 8.94097 7.3009 7.76963 8.81569 5.31439 9.19402 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 5.77755 5.09739 6.60101 6.37427 5.81666 5.05103 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 9.63478 13.1925 9.40268 14.8418 6.80292 6.70271 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 9.63478 13.1925 9.40268 17.6526 11.8155 6.2109 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 9.43816 12.538 9.09931 16.249 10.591 5.39213 numMergedOcc 0
11 mol 194 unq 0 iso 0 dist 8.43947 13.363 8.78345 12.7834 5.03763 8.73695 numMergedOcc 0
12 mol 287 unq 0 iso 0 dist 7.41348 11.2453 7.6829 18.6197 12.3119 8.76025 numMergedOcc 0
13 mol 288 unq 0 iso 0 dist 7.41348 11.2453 7.6829 18.6197 12.3119 8.76025 numMergedOcc 0
14 mol 289 unq 0 iso 0 dist 7.41348 11.2453 7.6829 18.6197 12.3119 8.76025 numMergedOcc 0
15 mol 294 unq 0 iso 0 dist 7.64578 5.84798 6.54658 6.45955 5.25596 9.13171 numMergedOcc 0
16 mol 294 unq 1 iso 0 dist 7.64578 5.84798 6.54658 8.86937 5.28447 8.84627 numMergedOcc 0
17 mol 294 unq 2 iso 0 dist 5.85292 6.63549 6.54658 5.71661 5.25596 9.13171 numMergedOcc 0
18 mol 294 unq 3 iso 0 dist 5.85292 6.63549 6.54658 8.98536 5.28447 8.84627 numMergedOcc 0
19 mol 294 unq 4 iso 0 dist 6.28096 5.84798 9.35351 6.45955 9.87129 9.13171 numMergedOcc 0
20 mol 294 unq 5 iso 0 dist 6.28096 5.84798 9.35351 8.86937 10.5605 8.84627 numMergedOcc 0
