0 mol 24 unq 0 iso 0 dist 8.44664 4.79736 9.98592 9.46342 5.32861 8.69288 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.44664 4.79736 9.98592 8.09311 3.84336 7.77964 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 8.87757 4.69295 9.16515 7.05196 3.904 8.07318 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 6.16347 5.63212 5.20109 11.037 4.98822 8.07318 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 6.16347 5.63212 5.20109 4.79873 5.46578 7.44277 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 7.45383 6.47509 5.20109 6.55597 4.98822 8.07318 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 7.45383 6.47509 5.20109 12.3944 5.46578 7.44277 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 8.50222 13.2447 9.16515 10.9703 3.904 8.07318 numMergedOcc 0
8 mol 25 unq 6 iso 0 dist 7.55264 14.9982 9.16515 10.3338 3.904 8.07318 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.52354 6.95017 8.93769 9.33861 4.52323 8.89015 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 7.80523 5.00433 7.56755 7.07971 5.92927 9.09348 numMergedOcc 0
11 mol 129 unq 0 iso 0 dist 4.97175 6.16616 9.35533 5.58833 4.28744 8.25397 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 7.69991 12.847 9.0176 11.2896 6.93712 8.62504 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 6.23142 8.06642 9.0176 9.33094 6.93712 8.62504 numMergedOcc 0
14 mol 134 unq 2 iso 0 dist 9.94764 4.00092 9.0176 8.69531 6.93712 8.62504 numMergedOcc 0
15 mol 141 unq 0 iso 0 dist 9.97343 13.4066 6.65731 11.5913 10.0208 7.92216 numMergedOcc 0
16 mol 141 unq 1 iso 0 dist 9.70413 8.54432 6.65731 13.0178 10.0208 7.92216 numMergedOcc 0
17 mol 143 unq 0 iso 0 dist 7.78652 4.78563 5.06564 5.40637 10.0079 9.29944 numMergedOcc 0
18 mol 143 unq 1 iso 0 dist 8.91301 4.78563 7.5373 5.40637 9.05366 9.29944 numMergedOcc 0
19 mol 170 unq 0 iso 0 dist 9.10511 4.12764 6.47164 10.7583 5.04147 8.75024 numMergedOcc 0
20 mol 170 unq 1 iso 0 dist 6.35982 4.78249 6.47164 10.7199 5.04147 8.75024 numMergedOcc 0
21 mol 170 unq 2 iso 0 dist 7.51126 4.78249 9.65126 10.7199 10.518 8.75024 numMergedOcc 0
22 mol 181 unq 0 iso 0 dist 5.94469 5.42158 8.06308 9.01624 11.9796 9.92831 numMergedOcc 0
23 mol 181 unq 1 iso 0 dist 9.39829 5.71898 5.99437 9.81178 6.16988 9.92831 numMergedOcc 0
24 mol 181 unq 2 iso 0 dist 6.41453 5.93724 5.99437 10.6106 6.16988 9.92831 numMergedOcc 0
25 mol 184 unq 0 iso 0 dist 6.42735 4.08775 7.81263 5.96423 4.67256 4.61596 numMergedOcc 0
26 mol 186 unq 0 iso 0 dist 7.76163 14.106 9.99396 11.651 4.03697 8.5672 numMergedOcc 0
27 mol 186 unq 1 iso 0 dist 8.73217 10.8286 9.99396 6.61112 4.03697 8.5672 numMergedOcc 0
28 mol 195 unq 0 iso 0 dist 7.36683 5.41635 6.22742 8.9507 5.45812 8.22795 numMergedOcc 0
29 mol 195 unq 1 iso 0 dist 9.26504 6.04871 6.22742 12.662 5.45812 8.22795 numMergedOcc 0
30 mol 206 unq 0 iso 0 dist 8.07687 10.6496 8.24419 11.3281 5.70985 9.09594 numMergedOcc 0
31 mol 222 unq 0 iso 0 dist 7.67576 6.84862 8.43195 12.0171 6.67077 8.14294 numMergedOcc 0
32 mol 222 unq 1 iso 0 dist 7.67576 9.53117 8.23406 12.0171 6.67077 5.72 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 7.43071 5.0317 9.18728 11.595 8.62578 8.85955 numMergedOcc 0
34 mol 227 unq 1 iso 0 dist 7.43071 5.0317 9.18728 9.91384 10.5007 6.09335 numMergedOcc 0
35 mol 227 unq 2 iso 0 dist 5.41321 5.0317 8.91971 11.595 15.624 8.85955 numMergedOcc 0
36 mol 227 unq 3 iso 0 dist 5.41321 5.0317 8.91971 9.91384 12.8337 6.09335 numMergedOcc 0
37 mol 227 unq 4 iso 0 dist 6.02296 5.83175 9.18728 10.1802 8.62578 8.85955 numMergedOcc 0
38 mol 227 unq 5 iso 0 dist 6.02296 5.83175 9.18728 10.3016 10.5007 6.09335 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 9.88863 5.94 8.6233 12.7664 6.89106 8.1635 numMergedOcc 0
40 mol 292 unq 1 iso 0 dist 9.88863 5.94 8.6233 9.74118 3.92782 6.22943 numMergedOcc 0
41 mol 292 unq 2 iso 0 dist 9.88863 5.94 8.6233 11.3379 5.93687 9.23612 numMergedOcc 0
