0 mol 26 unq 0 iso 0 dist 7.46207 7.35595 8.82012 15.3546 13.2136 9.16962 9.56639 5.56139 5.84066 8.25132 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 7.51406 9.20028 9.16962 16.9245 13.2136 8.82012 12.4917 8.25132 5.84066 5.56139 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.68311 13.1473 6.77912 10.1695 5.36766 8.624 15.7694 10.0679 9.37102 5.72408 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 6.68311 13.1473 6.77912 10.1695 5.36766 8.624 12.0518 5.69391 5.4605 3.94376 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 6.68311 13.1473 6.77912 10.1695 5.36766 8.624 9.26417 4.03844 6.53824 6.19288 numMergedOcc 0
5 mol 76 unq 0 iso 0 dist 8.41567 7.5192 6.21982 5.56964 10.2879 8.19682 13.3552 5.31985 9.4866 15.4159 numMergedOcc 0
6 mol 76 unq 1 iso 0 dist 5.56964 7.5192 8.19682 8.41567 10.2879 6.21982 13.3552 15.4159 9.4866 5.31985 numMergedOcc 0
7 mol 76 unq 2 iso 0 dist 6.62246 9.82998 6.21982 12.885 10.2879 8.19682 8.8326 5.31985 9.4866 15.4159 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 8.84523 5.38332 5.87358 9.45397 4.98336 9.20981 7.22752 6.35679 8.38791 4.94189 numMergedOcc 0
9 mol 109 unq 1 iso 0 dist 9.45397 5.38332 9.20981 8.84523 4.98336 5.87358 7.22752 4.94189 8.38791 6.35679 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 7.0318 5.70073 6.62561 11.0698 7.22206 7.63616 11.6159 7.20875 9.94053 3.77029 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.88255 10.06 9.63176 12.7943 11.6667 7.39889 6.88175 6.9194 6.55202 6.30721 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.88255 10.06 9.63176 12.7943 11.6667 7.39889 14.8889 9.68677 9.08536 14.443 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 8.88255 10.06 9.63176 16.6272 12.4603 7.44174 6.88175 6.9194 6.55202 12.4621 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 8.88255 10.06 9.63176 16.6272 12.4603 7.44174 14.8889 9.68677 9.08536 6.20019 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 6.54987 6.63186 7.77454 10.9185 7.93571 8.94837 6.41759 5.91192 5.52149 11.5407 numMergedOcc 0
16 mol 155 unq 0 iso 0 dist 5.68636 6.79302 7.36102 13.3396 10.7616 7.39644 8.14405 4.91785 5.36254 7.10286 numMergedOcc 0
17 mol 218 unq 0 iso 0 dist 8.2088 7.85937 7.13323 9.82905 7.83217 7.17547 13.626 13.7327 8.61306 15.6802 numMergedOcc 0
18 mol 227 unq 0 iso 0 dist 9.60159 7.35206 8.17891 12.0857 5.22356 6.95902 10.4038 4.1511 7.79951 4.69247 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 6.06422 5.58989 5.38637 9.6312 5.42006 6.55759 14.738 13.378 9.38131 10.4966 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 7.61478 5.92575 8.96531 11.6421 12.9854 7.02475 9.40158 5.79187 6.85253 10.4966 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 4.87108 5.61491 7.49471 7.64276 5.34096 7.19008 10.7584 12.7938 5.43613 11.0772 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 4.87108 5.61491 7.49471 7.64276 5.34096 7.19008 5.41453 6.82305 7.24334 5.71717 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 7.64276 13.9044 6.55759 11.4704 5.42006 5.38637 14.8333 10.4966 9.38131 13.378 numMergedOcc 0
24 mol 238 unq 5 iso 0 dist 7.64276 13.3748 7.02475 15.4736 12.9854 8.96531 14.8333 10.4966 6.85253 5.79187 numMergedOcc 0
25 mol 238 unq 6 iso 0 dist 7.64276 5.61491 7.19008 4.87108 5.34096 7.49471 10.7584 11.0772 5.43613 12.7938 numMergedOcc 0
26 mol 238 unq 7 iso 0 dist 7.64276 5.61491 7.19008 4.87108 5.34096 7.49471 5.41453 5.71717 7.24334 6.82305 numMergedOcc 0
27 mol 238 unq 8 iso 0 dist 6.54455 6.74728 7.49471 10.2875 5.34096 7.19008 11.2947 12.7938 5.43613 11.0772 numMergedOcc 0
28 mol 238 unq 9 iso 0 dist 6.54455 6.74728 7.49471 10.2875 5.34096 7.19008 10.6918 6.82305 7.24334 5.71717 numMergedOcc 0
29 mol 259 unq 0 iso 0 dist 8.57619 5.4536 8.37865 10.367 12.5353 7.48005 9.2885 4.04513 8.84648 10.282 numMergedOcc 0
30 mol 259 unq 1 iso 0 dist 8.57619 5.4536 8.37865 10.367 12.5353 7.48005 10.5384 7.09907 6.23661 10.067 numMergedOcc 0
