0 mol 25 unq 0 iso 0 dist 8.69224 4.97972 7.72372 13.2393 6.66403 9.65131 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.69224 4.97972 7.72372 9.26742 8.97662 8.73572 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 6.45955 4.86856 8.08224 8.11977 5.03002 6.98862 numMergedOcc 0
3 mol 120 unq 0 iso 0 dist 6.84006 4.30031 7.06763 9.66306 7.47617 9.18835 numMergedOcc 0
4 mol 120 unq 1 iso 0 dist 9.08322 9.03773 7.06763 8.84182 7.47617 9.18835 numMergedOcc 0
5 mol 120 unq 2 iso 0 dist 8.02114 8.74749 7.06763 11.1749 7.47617 9.18835 numMergedOcc 0
6 mol 143 unq 0 iso 0 dist 6.91039 15.9297 9.99012 11.251 5.64264 7.64085 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 7.71959 6.30491 6.68265 6.53428 4.19899 5.59682 numMergedOcc 0
8 mol 152 unq 1 iso 0 dist 7.71959 4.48776 7.78842 6.53428 4.19899 7.71277 numMergedOcc 0
9 mol 182 unq 0 iso 0 dist 8.10542 7.44165 6.55146 10.3261 3.67039 9.07183 numMergedOcc 0
10 mol 182 unq 1 iso 0 dist 6.78641 6.72963 6.55146 10.3277 3.67039 9.07183 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 7.82717 8.15466 6.97766 5.17005 4.25519 8.39345 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 8.19926 8.15466 4.79423 5.17005 6.35206 8.39345 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 9.54448 4.7722 5.73198 7.03594 4.22218 4.51269 numMergedOcc 0
14 mol 206 unq 1 iso 0 dist 9.54448 4.7722 5.73198 12.1272 3.57449 7.65323 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 5.3865 5.7486 6.62413 10.4751 7.19269 7.58833 numMergedOcc 0
16 mol 249 unq 1 iso 0 dist 5.3865 5.7486 6.62413 9.77197 4.77145 9.04715 numMergedOcc 0
17 mol 285 unq 0 iso 0 dist 8.88717 5.29647 6.07843 11.5578 10.0892 8.63954 numMergedOcc 0
18 mol 285 unq 1 iso 0 dist 8.88717 5.29647 6.07843 9.0062 3.97296 4.74716 numMergedOcc 0
19 mol 285 unq 2 iso 0 dist 9.84651 6.56958 6.07843 8.64527 10.0892 8.63954 numMergedOcc 0
20 mol 285 unq 3 iso 0 dist 9.84651 6.56958 6.07843 8.72607 3.97296 4.74716 numMergedOcc 0
