0 mol 7 unq 0 iso 0 dist 8.85869 9.02286 5.03532 14.1047 9.85726 6.44736 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.5298 9.02286 4.45508 14.06 7.21217 10.2313 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.58709 8.74005 5.3991 9.69698 9.74445 13.3156 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.10175 9.57335 11.14 5.65405 5.59773 10.1454 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 6.10175 8.60653 7.93241 5.65405 5.59773 7.21717 numMergedOcc 0
5 mol 130 unq 0 iso 0 dist 8.26291 6.87196 7.91054 5.25879 8.54461 8.78276 numMergedOcc 0
6 mol 130 unq 1 iso 0 dist 8.26291 6.87196 7.91054 10.9365 7.83619 7.96646 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 5.50364 5.43662 4.17212 5.29825 8.97145 8.70296 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 8.7301 5.43662 9.64263 5.29825 6.5874 8.70296 numMergedOcc 0
9 mol 181 unq 0 iso 0 dist 4.35909 8.50938 6.70394 5.32859 7.44191 6.46704 numMergedOcc 0
10 mol 181 unq 1 iso 0 dist 5.77393 8.50938 10.8517 5.32859 6.00053 6.46704 numMergedOcc 0
11 mol 211 unq 0 iso 0 dist 7.73993 8.76958 13.9486 11.6621 8.63308 19.7205 numMergedOcc 0
12 mol 220 unq 0 iso 0 dist 8.58709 7.58118 4.39102 5.1021 9.8711 6.59716 numMergedOcc 0
13 mol 220 unq 1 iso 0 dist 4.3362 9.75868 11.317 9.20027 7.31105 13.5821 numMergedOcc 0
14 mol 226 unq 0 iso 0 dist 9.05082 6.82883 7.93097 10.78 9.5723 6.11704 numMergedOcc 0
15 mol 226 unq 1 iso 0 dist 9.05082 6.95495 4.87605 10.78 9.5723 12.2318 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 7.99145 6.65275 5.75236 5.841 9.17826 5.41321 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 4.21935 9.25097 5.51771 4.77446 6.37342 11.5039 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 9.42193 9.1191 5.53685 14.864 9.73021 11.0831 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.2447 9.52471 13.8071 6.12463 9.696 11.3758 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.42812 7.88238 5.10104 10.7202 8.57532 10.6985 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 9.42812 7.88238 5.10104 17.0927 9.02914 12.1618 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 9.42812 7.88238 5.10104 16.2915 6.90434 10.8214 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 9.9227 9.55885 12.0238 5.80223 8.85762 14.3936 numMergedOcc 0
