0 mol 24 unq 0 iso 0 dist 8.86116 8.44664 10.971 4.79736 12.3058 9.98592 9.46342 15.0705 5.32861 8.69288 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.86116 8.44664 10.971 4.79736 12.3058 9.98592 8.09311 11.6226 3.84336 7.77964 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.38394 8.44664 5.30734 4.79736 10.6772 9.98592 9.46342 9.8747 5.32861 8.69288 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.38394 8.44664 5.30734 4.79736 10.6772 9.98592 8.09311 6.17155 3.84336 7.77964 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 6.47509 7.05196 5.20109 6.55597 4.69295 4.98822 8.07318 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 5.04899 7.45383 7.33728 6.47509 7.05196 5.20109 12.3944 11.6045 5.46578 7.44277 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 4.69295 6.55597 9.16515 7.05196 6.47509 3.904 8.07318 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 7.57578 6.16347 9.34396 5.63212 10.9703 5.20109 11.037 13.2447 4.98822 8.07318 numMergedOcc 0
8 mol 25 unq 4 iso 0 dist 7.57578 6.16347 9.34396 5.63212 10.9703 5.20109 4.79873 10.2864 5.46578 7.44277 numMergedOcc 0
9 mol 25 unq 5 iso 0 dist 7.57578 8.50222 6.08585 13.2447 11.037 9.16515 10.9703 5.63212 3.904 8.07318 numMergedOcc 0
10 mol 25 unq 6 iso 0 dist 7.17969 6.16347 10.8498 5.63212 10.3338 5.20109 11.037 14.9982 4.98822 8.07318 numMergedOcc 0
11 mol 25 unq 7 iso 0 dist 7.17969 6.16347 10.8498 5.63212 10.3338 5.20109 4.79873 11.4148 5.46578 7.44277 numMergedOcc 0
12 mol 25 unq 8 iso 0 dist 7.17969 7.55264 6.08585 14.9982 11.037 9.16515 10.3338 5.63212 3.904 8.07318 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 8.69985 7.80523 7.74599 5.00433 8.52024 7.56755 7.07971 4.69373 5.92927 9.09348 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 5.83384 4.97175 7.29399 6.16616 11.8464 9.35533 5.58833 9.00231 4.28744 8.25397 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 9.89303 7.69991 4.60632 12.847 13.0242 9.0176 11.2896 10.6898 6.93712 8.62504 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 6.54501 7.69991 5.71679 12.847 11.988 9.0176 11.2896 12.3479 6.93712 8.62504 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 9.33094 7.41373 6.93712 8.62504 numMergedOcc 0
18 mol 134 unq 3 iso 0 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 9.33094 10.8635 6.93712 8.62504 numMergedOcc 0
19 mol 134 unq 4 iso 0 dist 6.49416 6.23142 5.71679 8.06642 11.988 9.0176 9.33094 12.3479 6.93712 8.62504 numMergedOcc 0
20 mol 134 unq 5 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 8.69531 7.41373 6.93712 8.62504 numMergedOcc 0
21 mol 134 unq 6 iso 0 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 8.69531 10.8635 6.93712 8.62504 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 4.78563 5.37047 5.06564 5.40637 7.39837 10.0079 9.29944 numMergedOcc 0
23 mol 143 unq 1 iso 0 dist 5.99315 8.91301 5.20762 4.78563 5.37047 7.5373 5.40637 7.39837 9.05366 9.29944 numMergedOcc 0
24 mol 170 unq 0 iso 0 dist 9.76807 6.35982 4.34698 4.78249 9.51256 6.47164 10.7199 5.7304 5.04147 8.75024 numMergedOcc 0
25 mol 170 unq 1 iso 0 dist 9.76807 7.51126 5.75144 4.78249 9.51256 9.65126 10.7199 5.7304 10.518 8.75024 numMergedOcc 0
26 mol 181 unq 0 iso 0 dist 7.81386 9.39829 7.20191 5.71898 9.01624 5.99437 9.81178 5.42158 6.16988 9.92831 numMergedOcc 0
27 mol 181 unq 1 iso 0 dist 7.81386 5.94469 7.77758 5.42158 9.81178 8.06308 9.01624 5.71898 11.9796 9.92831 numMergedOcc 0
28 mol 181 unq 2 iso 0 dist 7.63312 6.41453 7.20191 5.93724 9.01624 5.99437 10.6106 5.42158 6.16988 9.92831 numMergedOcc 0
29 mol 181 unq 3 iso 0 dist 7.63312 5.94469 12.5387 5.42158 10.6106 8.06308 9.01624 5.93724 11.9796 9.92831 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 7.54065 8.73217 11.7429 10.8286 17.8564 9.99396 6.61112 11.0961 4.03697 8.5672 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 8.01589 7.67576 10.3151 6.84862 14.4477 8.43195 12.0171 16.815 6.67077 8.14294 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 8.01589 7.67576 10.3151 9.53117 16.3082 8.23406 12.0171 16.815 6.67077 5.72 numMergedOcc 0
33 mol 222 unq 2 iso 0 dist 7.7699 7.67576 7.81022 6.84862 10.0233 8.43195 12.0171 11.1369 6.67077 8.14294 numMergedOcc 0
34 mol 222 unq 3 iso 0 dist 7.7699 7.67576 7.81022 9.53117 11.839 8.23406 12.0171 11.1369 6.67077 5.72 numMergedOcc 0
35 mol 222 unq 4 iso 0 dist 7.21333 7.67576 7.75656 6.84862 5.56538 8.43195 12.0171 8.34852 6.67077 8.14294 numMergedOcc 0
36 mol 222 unq 5 iso 0 dist 7.21333 7.67576 7.75656 9.53117 7.48954 8.23406 12.0171 8.34852 6.67077 5.72 numMergedOcc 0
37 mol 227 unq 0 iso 0 dist 9.34734 7.43071 6.00424 5.0317 10.7855 9.18728 11.595 9.61786 8.62578 8.85955 numMergedOcc 0
38 mol 227 unq 1 iso 0 dist 9.34734 7.43071 6.00424 5.0317 10.7855 9.18728 9.91384 10.012 10.5007 6.09335 numMergedOcc 0
39 mol 227 unq 2 iso 0 dist 9.34734 5.41321 10.7656 5.0317 10.7855 8.91971 11.595 9.61786 15.624 8.85955 numMergedOcc 0
40 mol 227 unq 3 iso 0 dist 9.34734 5.41321 10.7656 5.0317 10.7855 8.91971 9.91384 10.012 12.8337 6.09335 numMergedOcc 0
41 mol 227 unq 4 iso 0 dist 7.22101 7.43071 6.35849 5.0317 5.23634 9.18728 11.595 4.664 8.62578 8.85955 numMergedOcc 0
42 mol 227 unq 5 iso 0 dist 7.22101 7.43071 6.35849 5.0317 5.23634 9.18728 9.91384 4.1511 10.5007 6.09335 numMergedOcc 0
43 mol 227 unq 6 iso 0 dist 7.22101 5.41321 10.9607 5.0317 5.23634 8.91971 11.595 4.664 15.624 8.85955 numMergedOcc 0
44 mol 227 unq 7 iso 0 dist 7.22101 5.41321 10.9607 5.0317 5.23634 8.91971 9.91384 4.1511 12.8337 6.09335 numMergedOcc 0
45 mol 227 unq 8 iso 0 dist 8.65997 7.43071 10.204 5.0317 6.91318 9.18728 11.595 8.49509 8.62578 8.85955 numMergedOcc 0
46 mol 227 unq 9 iso 0 dist 8.65997 7.43071 10.204 5.0317 6.91318 9.18728 9.91384 4.69247 10.5007 6.09335 numMergedOcc 0
47 mol 227 unq 10 iso 0 dist 8.65997 5.41321 9.72615 5.0317 6.91318 8.91971 11.595 8.49509 15.624 8.85955 numMergedOcc 0
48 mol 227 unq 11 iso 0 dist 8.65997 5.41321 9.72615 5.0317 6.91318 8.91971 9.91384 4.69247 12.8337 6.09335 numMergedOcc 0
49 mol 227 unq 12 iso 0 dist 7.56888 7.43071 9.76735 5.0317 11.2661 9.18728 11.595 15.15 8.62578 8.85955 numMergedOcc 0
50 mol 227 unq 13 iso 0 dist 7.56888 7.43071 9.76735 5.0317 11.2661 9.18728 9.91384 13.4494 10.5007 6.09335 numMergedOcc 0
51 mol 227 unq 14 iso 0 dist 7.56888 5.41321 5.10635 5.0317 11.2661 8.91971 11.595 15.15 15.624 8.85955 numMergedOcc 0
52 mol 227 unq 15 iso 0 dist 7.56888 5.41321 5.10635 5.0317 11.2661 8.91971 9.91384 13.4494 12.8337 6.09335 numMergedOcc 0
53 mol 227 unq 16 iso 0 dist 7.55216 7.43071 9.32448 5.0317 12.3663 9.18728 11.595 16.5958 8.62578 8.85955 numMergedOcc 0
54 mol 227 unq 17 iso 0 dist 7.55216 7.43071 9.32448 5.0317 12.3663 9.18728 9.91384 15.7786 10.5007 6.09335 numMergedOcc 0
55 mol 227 unq 18 iso 0 dist 7.55216 5.41321 6.48027 5.0317 12.3663 8.91971 11.595 16.5958 15.624 8.85955 numMergedOcc 0
56 mol 227 unq 19 iso 0 dist 7.55216 5.41321 6.48027 5.0317 12.3663 8.91971 9.91384 15.7786 12.8337 6.09335 numMergedOcc 0
57 mol 227 unq 20 iso 0 dist 7.09863 6.02296 6.35849 5.83175 5.23634 9.18728 10.1802 4.664 8.62578 8.85955 numMergedOcc 0
58 mol 227 unq 21 iso 0 dist 7.09863 6.02296 6.35849 5.83175 5.23634 9.18728 10.3016 4.1511 10.5007 6.09335 numMergedOcc 0
