0 mol 15 unq 0 iso 0 dist 5.89412 14.8121 9.41935 6.91314 6.23015 10.5167 numMergedOcc 0
1 mol 15 unq 1 iso 0 dist 7.07399 5.88545 9.41935 5.49251 6.23015 10.5167 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 7.51452 10.0614 6.70097 16.3456 9.07213 12.8405 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 9.20198 11.637 6.70097 4.18921 9.07213 12.8405 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.4051 13.2525 6.23824 10.1698 6.61696 5.97274 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.4051 13.2525 6.23824 13.6174 5.80953 6.46192 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 7.29868 4.99125 6.23824 8.91183 6.61696 5.97274 numMergedOcc 0
7 mol 24 unq 3 iso 0 dist 7.29868 4.99125 6.23824 5.69214 5.80953 6.46192 numMergedOcc 0
8 mol 24 unq 4 iso 0 dist 8.60554 11.4659 6.23824 14.8647 6.61696 5.97274 numMergedOcc 0
9 mol 24 unq 5 iso 0 dist 8.60554 11.4659 6.23824 5.11636 5.80953 6.46192 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.27838 9.902 8.66571 5.69391 7.58875 4.81856 numMergedOcc 0
11 mol 72 unq 1 iso 0 dist 9.27838 9.902 8.66571 5.57624 9.52749 6.18636 numMergedOcc 0
12 mol 72 unq 2 iso 0 dist 9.27838 9.902 8.66571 4.03844 6.91169 7.37013 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 9.82915 12.8706 9.35279 11.9064 5.05893 9.75167 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 9.82915 12.8706 9.35279 14.7521 5.71866 10.8439 numMergedOcc 0
15 mol 100 unq 0 iso 0 dist 7.01812 8.07089 6.84692 4.03277 6.59691 8.59989 numMergedOcc 0
16 mol 100 unq 1 iso 0 dist 8.30845 12.8256 6.84692 6.23008 6.59691 8.59989 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 6.16242 5.47259 6.49688 13.0405 8.83732 13.2024 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 5.87634 4.70102 6.49688 13.7612 8.83732 13.2024 numMergedOcc 0
19 mol 135 unq 0 iso 0 dist 7.90563 10.5706 7.83735 8.50814 7.17599 11.796 numMergedOcc 0
20 mol 135 unq 1 iso 0 dist 8.97655 11.8378 7.83735 3.95636 7.17599 11.796 numMergedOcc 0
21 mol 170 unq 0 iso 0 dist 9.10511 6.22427 8.20406 4.12764 6.47164 5.40635 numMergedOcc 0
22 mol 170 unq 1 iso 0 dist 9.10511 4.72207 7.19802 4.12764 6.47164 6.09207 numMergedOcc 0
23 mol 170 unq 2 iso 0 dist 9.10511 8.94639 7.75807 4.12764 6.47164 9.84933 numMergedOcc 0
24 mol 170 unq 3 iso 0 dist 6.35982 9.77705 8.20406 4.78249 6.47164 5.40635 numMergedOcc 0
25 mol 170 unq 4 iso 0 dist 6.35982 5.36359 7.19802 4.78249 6.47164 6.09207 numMergedOcc 0
26 mol 170 unq 5 iso 0 dist 6.35982 8.84552 7.75807 4.78249 6.47164 9.84933 numMergedOcc 0
27 mol 171 unq 0 iso 0 dist 9.61462 11.5192 7.03303 7.5383 7.47964 8.11114 numMergedOcc 0
28 mol 181 unq 0 iso 0 dist 6.46704 5.87996 8.91675 6.28125 9.06571 6.12433 numMergedOcc 0
29 mol 181 unq 1 iso 0 dist 6.46704 5.87996 8.91675 6.50233 7.35884 4.46602 numMergedOcc 0
30 mol 181 unq 2 iso 0 dist 5.9176 5.83639 6.2176 10.6474 8.12266 7.11838 numMergedOcc 0
31 mol 181 unq 3 iso 0 dist 5.9176 5.83639 6.2176 5.12833 9.43306 5.42919 numMergedOcc 0
32 mol 181 unq 4 iso 0 dist 5.9176 5.83639 6.2176 4.61184 8.59681 6.20414 numMergedOcc 0
33 mol 188 unq 0 iso 0 dist 7.14503 5.22586 6.65177 9.71636 8.66624 10.8586 numMergedOcc 0
34 mol 194 unq 0 iso 0 dist 8.65535 12.9377 9.42308 10.0756 4.19371 11.795 numMergedOcc 0
35 mol 194 unq 1 iso 0 dist 8.65535 12.9377 9.42308 16.4082 9.71015 15.9063 numMergedOcc 0
36 mol 194 unq 2 iso 0 dist 6.72379 12.3879 5.67863 4.66791 9.00322 14.0502 numMergedOcc 0
37 mol 234 unq 0 iso 0 dist 7.32499 13.1319 9.38888 13.1872 7.77911 4.76962 numMergedOcc 0
38 mol 235 unq 0 iso 0 dist 6.36341 9.82715 5.3481 13.089 7.39085 4.81611 numMergedOcc 0
39 mol 235 unq 1 iso 0 dist 6.21292 6.55862 5.3481 10.5354 7.39085 4.81611 numMergedOcc 0
40 mol 235 unq 2 iso 0 dist 9.21736 6.8239 5.3481 11.3865 7.39085 4.81611 numMergedOcc 0
41 mol 273 unq 0 iso 0 dist 8.83865 9.75887 6.83684 4.24707 7.85836 6.91408 numMergedOcc 0
42 mol 273 unq 1 iso 0 dist 8.83865 9.75887 6.83684 8.56043 6.35532 4.04219 numMergedOcc 0
43 mol 273 unq 2 iso 0 dist 9.18157 7.29345 6.83684 6.65672 7.85836 6.91408 numMergedOcc 0
44 mol 273 unq 3 iso 0 dist 9.18157 7.29345 6.83684 8.81454 6.35532 4.04219 numMergedOcc 0
45 mol 274 unq 0 iso 0 dist 7.46394 10.0578 7.1364 5.22914 7.77765 13.3529 numMergedOcc 0
46 mol 274 unq 1 iso 0 dist 7.46394 10.0578 7.1364 14.7507 9.65868 13.7073 numMergedOcc 0
47 mol 274 unq 2 iso 0 dist 9.45514 10.0247 7.1364 12.393 7.77765 13.3529 numMergedOcc 0
48 mol 274 unq 3 iso 0 dist 9.45514 10.0247 7.1364 8.87855 9.65868 13.7073 numMergedOcc 0
49 mol 274 unq 4 iso 0 dist 8.91672 5.25703 7.1364 16.5034 7.77765 13.3529 numMergedOcc 0
50 mol 274 unq 5 iso 0 dist 8.91672 5.25703 7.1364 12.5615 9.65868 13.7073 numMergedOcc 0
51 mol 274 unq 6 iso 0 dist 7.1729 5.56942 7.1364 10.2884 7.77765 13.3529 numMergedOcc 0
52 mol 274 unq 7 iso 0 dist 7.1729 5.56942 7.1364 13.0867 9.65868 13.7073 numMergedOcc 0
53 mol 274 unq 8 iso 0 dist 8.52587 5.87456 5.0002 16.9539 8.60027 12.616 numMergedOcc 0
54 mol 274 unq 9 iso 0 dist 6.39866 6.38211 5.0002 8.87855 8.60027 12.616 numMergedOcc 0
