0 mol 16 unq 0 iso 0 dist 5.77753 8.63347 4.68733 5.38671 7.03948 6.57331 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.77753 8.63347 4.68733 5.45161 5.47769 8.43054 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 8.28439 8.66992 6.58458 7.14422 7.33969 8.70192 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 6.94727 8.81519 4.51883 5.2876 6.99408 5.94756 numMergedOcc 0
4 mol 143 unq 0 iso 0 dist 5.90772 5.44814 5.43382 5.4432 9.60643 5.37047 numMergedOcc 0
5 mol 178 unq 0 iso 0 dist 5.20764 6.95432 5.88866 12.2822 10.5498 7.06025 numMergedOcc 0
6 mol 211 unq 0 iso 0 dist 9.21889 6.69877 8.35742 6.13472 12.3166 6.28595 numMergedOcc 0
7 mol 219 unq 0 iso 0 dist 9.52444 8.38773 7.97611 10.0509 11.8471 4.33238 numMergedOcc 0
8 mol 219 unq 1 iso 0 dist 9.52444 8.38773 7.97611 5.48556 12.9372 7.83604 numMergedOcc 0
9 mol 222 unq 0 iso 0 dist 8.56735 5.07975 12.3533 5.66819 13.9371 5.56538 numMergedOcc 0
10 mol 222 unq 1 iso 0 dist 8.56735 4.85015 11.2534 5.66819 13.9371 7.48954 numMergedOcc 0
11 mol 223 unq 0 iso 0 dist 9.67035 5.50267 6.59645 7.19485 12.699 6.42257 numMergedOcc 0
12 mol 232 unq 0 iso 0 dist 9.00007 9.11418 14.5281 4.90814 11.4727 6.71524 numMergedOcc 0
13 mol 235 unq 0 iso 0 dist 8.60471 8.31344 4.47008 15.2767 6.98084 8.19317 numMergedOcc 0
14 mol 235 unq 1 iso 0 dist 8.60471 8.31344 4.47008 11.9322 7.32211 5.1823 numMergedOcc 0
15 mol 257 unq 0 iso 0 dist 9.46934 5.81865 10.0311 5.86413 7.14834 8.83833 numMergedOcc 0
16 mol 257 unq 1 iso 0 dist 9.48415 5.81865 5.65031 5.86413 13.4908 8.83833 numMergedOcc 0
17 mol 257 unq 2 iso 0 dist 9.55829 8.25457 6.26672 13.8679 14.3536 8.83833 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 8.41674 9.45329 10.9311 7.52275 12.7608 9.59325 numMergedOcc 0
19 mol 273 unq 1 iso 0 dist 6.8391 5.63226 10.0013 9.45651 15.6072 6.31969 numMergedOcc 0
20 mol 273 unq 2 iso 0 dist 6.06557 5.63226 4.42663 9.45651 10.3657 6.31969 numMergedOcc 0
