0 mol 24 unq 0 iso 0 dist 5.78238 6.4301 5.47982 9.82272 9.41655 11.6836 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.78238 6.4301 5.47982 6.14082 6.803 8.02322 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 5.19692 12.3358 7.57624 9.86665 7.78893 7.63516 numMergedOcc 0
3 mol 30 unq 1 iso 0 dist 5.19692 12.3358 7.57624 10.4845 5.85146 3.68767 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.81611 10.243 5.01135 7.64845 5.54554 3.3303 numMergedOcc 0
5 mol 48 unq 1 iso 0 dist 8.81611 10.243 5.01135 14.8695 6.84514 5.54746 numMergedOcc 0
6 mol 48 unq 2 iso 0 dist 8.81611 10.243 5.01135 11.3732 8.95402 8.51393 numMergedOcc 0
7 mol 48 unq 3 iso 0 dist 7.09356 4.93472 5.01135 6.94072 5.54554 3.3303 numMergedOcc 0
8 mol 48 unq 4 iso 0 dist 7.09356 4.93472 5.01135 8.28032 6.84514 5.54746 numMergedOcc 0
9 mol 48 unq 5 iso 0 dist 7.09356 4.93472 5.01135 13.284 8.95402 8.51393 numMergedOcc 0
10 mol 48 unq 6 iso 0 dist 8.81414 10.6795 5.20384 8.09295 5.5232 3.41312 numMergedOcc 0
11 mol 48 unq 7 iso 0 dist 8.81414 10.6795 5.20384 15.2448 7.05619 5.76412 numMergedOcc 0
12 mol 48 unq 8 iso 0 dist 7.00226 5.03724 5.20384 7.11454 5.5232 3.41312 numMergedOcc 0
13 mol 48 unq 9 iso 0 dist 7.00226 5.03724 5.20384 8.60738 7.05619 5.76412 numMergedOcc 0
14 mol 83 unq 0 iso 0 dist 6.24063 5.97999 7.09118 11.5102 5.9281 10.3761 numMergedOcc 0
15 mol 83 unq 1 iso 0 dist 9.49925 3.93734 7.09118 11.3974 5.9281 10.3761 numMergedOcc 0
16 mol 83 unq 2 iso 0 dist 9.38099 3.82401 7.09118 11.6106 5.9281 10.3761 numMergedOcc 0
17 mol 83 unq 3 iso 0 dist 8.76065 8.59639 7.09118 8.4463 5.9281 10.3761 numMergedOcc 0
18 mol 83 unq 4 iso 0 dist 5.49193 10.1485 7.09118 4.27327 5.9281 10.3761 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 5.96907 8.52311 8.88404 4.20944 5.4206 6.0189 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 5.96907 8.52311 8.88404 6.685 9.56763 11.0197 numMergedOcc 0
21 mol 165 unq 0 iso 0 dist 9.00812 8.00959 6.08508 8.92393 7.61231 4.12949 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 5.32236 11.1811 6.59925 10.8953 7.6741 3.46183 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.83254 12.9786 7.9637 8.78296 7.88501 5.18849 numMergedOcc 0
24 mol 186 unq 1 iso 0 dist 8.83254 12.9786 7.9637 9.60871 9.09585 10.0163 numMergedOcc 0
25 mol 223 unq 0 iso 0 dist 9.35643 9.48092 5.46783 5.19705 8.95054 6.2478 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 5.51163 13.1305 7.74885 10.1123 7.83105 9.09582 numMergedOcc 0
27 mol 230 unq 1 iso 0 dist 5.51163 13.1305 7.74885 10.6497 5.63025 3.83847 numMergedOcc 0
28 mol 230 unq 2 iso 0 dist 8.02209 5.71181 7.81987 7.62813 6.31092 3.28958 numMergedOcc 0
29 mol 252 unq 0 iso 0 dist 6.88874 8.24007 8.62955 8.56684 8.38453 13.3681 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 9.72264 9.66636 7.44686 7.84266 9.9322 6.07125 numMergedOcc 0
31 mol 282 unq 1 iso 0 dist 9.72264 11.2193 9.82855 7.84266 9.9322 4.55093 numMergedOcc 0
32 mol 282 unq 2 iso 0 dist 9.72264 5.03939 8.62579 7.84266 9.9322 3.11193 numMergedOcc 0
