0 mol 68 unq 0 iso 0 dist 9.74289 3.95228 7.51075 5.37144 7.39665 6.56256 5.68303 13.0823 5.73908 10.0149 numMergedOcc 0
1 mol 68 unq 1 iso 0 dist 9.74289 3.95228 7.51075 5.37144 7.39665 6.56256 10.4048 5.31976 6.77421 9.90923 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 7.28058 3.98918 8.67532 15.8189 8.72682 17.2466 9.92962 6.97502 8.09675 12.6865 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 7.28058 3.98918 8.67532 9.77994 6.45841 10.2047 9.92962 6.97502 8.09675 7.69222 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 7.28058 3.98918 8.67532 10.8484 5.61588 10.8441 9.92962 6.97502 8.09675 5.82056 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 7.28058 3.98918 8.67532 14.7963 7.83244 15.2203 9.92962 6.97502 8.09675 9.09115 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.79714 3.80683 9.71952 9.4173 8.13108 6.69911 8.09587 13.0619 7.25561 8.12959 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 9.79714 6.77296 7.28257 9.4173 8.13108 3.94216 8.09587 13.0619 8.97499 8.12959 numMergedOcc 0
8 mol 95 unq 0 iso 0 dist 6.5136 11.2915 9.65047 5.9335 9.3948 8.55456 16.6218 13.209 9.02302 13.6068 numMergedOcc 0
9 mol 95 unq 1 iso 0 dist 6.5136 11.2915 9.65047 9.88003 9.74607 3.84879 16.6218 13.209 9.02302 12.8162 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 6.1421 12.3343 9.28278 5.75588 5.51197 9.05571 10.2926 4.80675 7.13958 8.85652 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 6.1421 12.3343 9.28278 3.82645 6.69691 9.63308 10.2926 4.80675 7.13958 9.31543 numMergedOcc 0
12 mol 129 unq 2 iso 0 dist 6.1421 12.3343 9.28278 4.18263 8.86944 14.5546 10.2926 4.80675 7.13958 12.172 numMergedOcc 0
13 mol 129 unq 3 iso 0 dist 9.54663 10.4416 9.28278 11.0564 5.51197 9.05571 9.83241 4.80675 7.13958 8.85652 numMergedOcc 0
14 mol 129 unq 4 iso 0 dist 9.54663 10.4416 9.28278 5.71616 6.69691 9.63308 9.83241 4.80675 7.13958 9.31543 numMergedOcc 0
15 mol 129 unq 5 iso 0 dist 9.54663 10.4416 9.28278 7.22602 8.86944 14.5546 9.83241 4.80675 7.13958 12.172 numMergedOcc 0
16 mol 220 unq 0 iso 0 dist 5.07968 6.85536 7.16386 4.49605 8.2123 4.94998 12.9449 9.18673 8.65468 13.2696 numMergedOcc 0
17 mol 229 unq 0 iso 0 dist 9.68636 12.8446 8.6537 9.76444 7.27993 3.72432 16.5329 12.696 5.75755 9.10498 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 9.89728 18.6806 9.54857 13.7396 5.85442 5.49348 15.3515 6.18571 8.06908 8.40328 numMergedOcc 0
19 mol 259 unq 1 iso 0 dist 9.89728 18.6806 9.54857 15.7491 6.95511 5.13138 15.3515 6.18571 8.06908 8.2518 numMergedOcc 0
20 mol 264 unq 0 iso 0 dist 6.66602 9.34577 6.83408 12.6107 9.58916 3.63202 11.855 6.28828 9.67311 11.8611 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 6.86014 11.7966 9.29635 11.4058 9.35539 12.7269 6.92271 5.77904 6.70414 13.222 numMergedOcc 0
22 mol 277 unq 1 iso 0 dist 6.86014 11.7966 9.29635 14.6762 8.9682 12.2421 6.92271 5.77904 6.70414 9.91103 numMergedOcc 0
23 mol 277 unq 2 iso 0 dist 6.86014 11.7966 9.29635 11.68 6.92711 10.9521 6.92271 5.77904 6.70414 7.0603 numMergedOcc 0
24 mol 277 unq 3 iso 0 dist 5.97073 7.00586 9.29635 6.9003 9.35539 12.7269 8.62666 5.77904 6.70414 13.222 numMergedOcc 0
25 mol 277 unq 4 iso 0 dist 5.97073 7.00586 9.29635 11.3103 8.9682 12.2421 8.62666 5.77904 6.70414 9.91103 numMergedOcc 0
26 mol 277 unq 5 iso 0 dist 5.97073 7.00586 9.29635 10.5734 6.92711 10.9521 8.62666 5.77904 6.70414 7.0603 numMergedOcc 0
27 mol 277 unq 6 iso 0 dist 6.49176 7.86614 9.29635 11.7592 9.35539 12.7269 8.41858 5.77904 6.70414 13.222 numMergedOcc 0
28 mol 277 unq 7 iso 0 dist 6.49176 7.86614 9.29635 6.40883 8.9682 12.2421 8.41858 5.77904 6.70414 9.91103 numMergedOcc 0
29 mol 277 unq 8 iso 0 dist 6.49176 7.86614 9.29635 6.79352 6.92711 10.9521 8.41858 5.77904 6.70414 7.0603 numMergedOcc 0
