0 mol 25 unq 0 iso 0 dist 7.05196 7.33728 5.20109 4.69295 8.07318 4.98822 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.05196 7.33728 5.20109 11.6045 7.44277 5.46578 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 6.55597 5.77929 9.16515 6.47509 8.07318 3.904 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 6.72869 4.85247 7.46095 5.31985 9.59729 10.1364 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 9.85905 6.45686 7.46095 15.4159 9.59729 10.1364 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 8.23026 6.5901 8.77077 6.46372 9.08825 5.44918 numMergedOcc 0
6 mol 79 unq 0 iso 0 dist 9.76379 6.79583 7.43127 5.09159 8.64934 3.99035 numMergedOcc 0
7 mol 79 unq 1 iso 0 dist 9.76379 6.79583 7.43127 10.867 8.7515 4.53016 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.36001 13.9524 6.59716 6.77937 9.99441 11.7168 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 7.13008 7.05542 8.98912 9.50063 8.89015 3.71113 numMergedOcc 0
10 mol 92 unq 2 iso 0 dist 7.13008 10.9681 8.93769 9.50063 8.89015 4.52323 numMergedOcc 0
11 mol 105 unq 0 iso 0 dist 9.16718 11.0132 7.77089 4.4598 9.17843 13.4342 numMergedOcc 0
12 mol 105 unq 1 iso 0 dist 7.94633 9.96719 7.77089 8.50101 9.17843 13.4342 numMergedOcc 0
13 mol 109 unq 0 iso 0 dist 9.89083 10.0688 7.56755 10.9531 9.09348 5.92927 numMergedOcc 0
14 mol 109 unq 1 iso 0 dist 8.52024 7.74599 7.56755 4.69373 9.09348 5.92927 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 7.7988 6.41459 8.06134 11.0625 6.96745 10.3457 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 7.7988 7.64054 5.36587 11.0625 6.96745 3.99855 numMergedOcc 0
17 mol 112 unq 2 iso 0 dist 9.40824 7.18484 8.06134 14.5726 6.96745 10.3457 numMergedOcc 0
18 mol 112 unq 3 iso 0 dist 9.40824 10.9474 5.36587 14.5726 6.96745 3.99855 numMergedOcc 0
19 mol 112 unq 4 iso 0 dist 4.22363 4.35926 8.06134 9.05551 6.96745 10.3457 numMergedOcc 0
20 mol 112 unq 5 iso 0 dist 4.22363 5.76098 5.36587 9.05551 6.96745 3.99855 numMergedOcc 0
21 mol 112 unq 6 iso 0 dist 5.56994 5.76986 6.11407 6.09562 7.31064 10.4943 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 9.10524 6.98221 7.83568 15.3018 8.14226 15.3699 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 9.66543 7.1797 9.0176 4.46337 8.62504 6.93712 numMergedOcc 0
24 mol 134 unq 2 iso 0 dist 7.21868 4.57832 9.0176 7.41373 8.62504 6.93712 numMergedOcc 0
25 mol 134 unq 3 iso 0 dist 7.93372 5.29786 9.0176 10.8635 8.62504 6.93712 numMergedOcc 0
26 mol 134 unq 4 iso 0 dist 9.00918 14.2198 7.83568 5.03507 8.14226 15.3699 numMergedOcc 0
27 mol 141 unq 0 iso 0 dist 8.07097 10.1386 5.92302 13.2918 7.92216 3.98068 numMergedOcc 0
28 mol 141 unq 1 iso 0 dist 8.07097 7.42649 5.29898 13.2918 7.92216 10.1551 numMergedOcc 0
29 mol 143 unq 0 iso 0 dist 5.37047 6.48978 5.06564 7.39837 9.29944 10.0079 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 5.37047 5.20762 7.5373 7.39837 9.29944 9.05366 numMergedOcc 0
31 mol 162 unq 0 iso 0 dist 7.45998 10.1865 8.33407 5.65603 7.01095 4.8427 numMergedOcc 0
32 mol 170 unq 0 iso 0 dist 9.08274 9.275 6.47164 6.86812 8.75024 5.04147 numMergedOcc 0
33 mol 170 unq 1 iso 0 dist 9.08274 12.5696 9.65126 6.86812 8.75024 10.518 numMergedOcc 0
34 mol 170 unq 2 iso 0 dist 9.51256 4.34698 6.47164 5.7304 8.75024 5.04147 numMergedOcc 0
35 mol 170 unq 3 iso 0 dist 9.51256 5.75144 9.65126 5.7304 8.75024 10.518 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 9.01624 7.20191 5.99437 5.42158 9.92831 6.16988 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 5.05973 5.48529 5.99437 10.0773 9.92831 6.16988 numMergedOcc 0
38 mol 184 unq 0 iso 0 dist 5.96423 8.08596 7.58375 4.08775 4.61596 7.81466 numMergedOcc 0
39 mol 198 unq 0 iso 0 dist 9.31526 9.73871 8.63279 12.1607 9.91727 14.9679 numMergedOcc 0
40 mol 222 unq 0 iso 0 dist 5.56538 7.75656 8.43195 8.34852 8.14294 6.67077 numMergedOcc 0
41 mol 222 unq 1 iso 0 dist 7.48954 7.75656 8.23406 8.34852 5.72 6.67077 numMergedOcc 0
42 mol 227 unq 0 iso 0 dist 5.23634 6.35849 9.18728 4.664 8.85955 8.62578 numMergedOcc 0
43 mol 227 unq 1 iso 0 dist 5.23634 6.35849 9.18728 4.1511 6.09335 10.5007 numMergedOcc 0
44 mol 227 unq 2 iso 0 dist 5.23634 10.9607 8.91971 4.664 8.85955 15.624 numMergedOcc 0
45 mol 227 unq 3 iso 0 dist 5.23634 10.9607 8.91971 4.1511 6.09335 12.8337 numMergedOcc 0
46 mol 227 unq 4 iso 0 dist 6.91318 10.204 9.18728 8.49509 8.85955 8.62578 numMergedOcc 0
47 mol 227 unq 5 iso 0 dist 6.91318 10.204 9.18728 4.69247 6.09335 10.5007 numMergedOcc 0
48 mol 227 unq 6 iso 0 dist 6.91318 9.72615 8.91971 8.49509 8.85955 15.624 numMergedOcc 0
49 mol 227 unq 7 iso 0 dist 6.91318 9.72615 8.91971 4.69247 6.09335 12.8337 numMergedOcc 0
50 mol 235 unq 0 iso 0 dist 8.19317 6.82855 8.97952 9.72447 6.03081 10.6687 numMergedOcc 0
51 mol 235 unq 1 iso 0 dist 8.19317 6.82855 8.97952 12.983 7.41433 10.6919 numMergedOcc 0
52 mol 235 unq 2 iso 0 dist 5.1823 6.46722 8.97952 4.21867 6.03081 10.6687 numMergedOcc 0
53 mol 235 unq 3 iso 0 dist 5.1823 6.46722 8.97952 5.88852 7.41433 10.6919 numMergedOcc 0
54 mol 273 unq 0 iso 0 dist 6.31969 7.81483 5.61969 10.2693 9.02537 10.5462 numMergedOcc 0
55 mol 273 unq 1 iso 0 dist 6.31969 7.92179 9.0277 10.2693 9.02537 11.5353 numMergedOcc 0
56 mol 277 unq 0 iso 0 dist 9.57499 6.28695 9.26157 11.2997 7.16209 6.64795 numMergedOcc 0
57 mol 277 unq 1 iso 0 dist 5.46926 4.37645 9.26157 4.40029 7.16209 6.64795 numMergedOcc 0
58 mol 277 unq 2 iso 0 dist 8.9682 7.70529 9.26157 3.97543 7.16209 6.64795 numMergedOcc 0
