0 mol 1 unq 0 iso 0 dist 7.64327 9.69226 6.2936 16.5432 13.1756 8.54503 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.28595 12.841 6.2936 20.7564 13.1756 8.54503 numMergedOcc 0
2 mol 1 unq 2 iso 0 dist 9.31967 15.1985 6.2936 22.4699 13.1756 8.54503 numMergedOcc 0
3 mol 10 unq 0 iso 0 dist 7.55743 11.2454 9.03951 14.842 11.8048 9.39017 numMergedOcc 0
4 mol 15 unq 0 iso 0 dist 7.70482 6.13164 6.88546 11.559 12.1014 8.37378 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 8.25357 4.93307 8.61491 8.34763 7.30471 5.99176 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 8.25357 4.93307 8.61491 5.66008 6.91789 6.98583 numMergedOcc 0
7 mol 48 unq 0 iso 0 dist 9.66461 4.31769 8.68989 7.99735 10.9256 8.82709 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 8.81136 7.10894 8.68989 9.7516 10.9256 8.82709 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 8.54948 4.20309 7.01545 11.3997 6.09578 8.20319 numMergedOcc 0
10 mol 116 unq 0 iso 0 dist 8.49761 5.27853 7.92221 5.58346 6.80479 8.3971 numMergedOcc 0
11 mol 116 unq 1 iso 0 dist 8.49761 5.27853 7.92221 7.09179 6.42183 6.74026 numMergedOcc 0
12 mol 125 unq 0 iso 0 dist 6.31546 4.18419 7.00113 7.1608 11.663 9.94322 numMergedOcc 0
13 mol 125 unq 1 iso 0 dist 6.31546 4.18419 7.00113 11.0473 9.39493 8.35871 numMergedOcc 0
14 mol 125 unq 2 iso 0 dist 6.31546 7.15048 9.85979 9.5205 12.7481 8.74577 numMergedOcc 0
15 mol 125 unq 3 iso 0 dist 6.31546 7.15048 9.85979 7.1608 11.663 9.7728 numMergedOcc 0
16 mol 125 unq 4 iso 0 dist 6.31546 7.15048 9.85979 11.0473 9.39493 6.75122 numMergedOcc 0
17 mol 128 unq 0 iso 0 dist 8.20389 7.34304 7.61237 6.49794 8.04676 8.73383 numMergedOcc 0
18 mol 158 unq 0 iso 0 dist 9.1678 6.4617 7.23059 11.875 8.54694 6.69487 numMergedOcc 0
19 mol 158 unq 1 iso 0 dist 9.94593 6.99918 7.23059 10.1425 8.54694 6.69487 numMergedOcc 0
20 mol 173 unq 0 iso 0 dist 8.87968 12.1363 9.31172 12.8305 11.5983 8.14167 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 6.17408 12.4808 9.85821 11.3968 6.18958 5.95622 numMergedOcc 0
22 mol 239 unq 1 iso 0 dist 6.17602 13.9899 9.85821 11.8722 6.18958 5.95622 numMergedOcc 0
23 mol 247 unq 0 iso 0 dist 6.23164 4.46 6.29945 6.97395 7.01958 8.54404 numMergedOcc 0
24 mol 266 unq 0 iso 0 dist 8.08479 6.33919 6.77259 11.0051 6.69637 9.34312 numMergedOcc 0
25 mol 266 unq 1 iso 0 dist 8.08479 6.33919 6.77259 7.27283 9.91179 7.53905 numMergedOcc 0
26 mol 279 unq 0 iso 0 dist 8.93979 15.151 9.24164 10.7912 7.77606 8.07169 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 8.60635 6.25614 8.67838 8.17727 6.5975 9.5144 numMergedOcc 0
