0 mol 15 unq 0 iso 0 dist 5.89412 11.0528 7.07399 14.8121 9.41935 5.88545 6.91314 6.23015 5.49251 10.5167 numMergedOcc 0
1 mol 15 unq 0 iso 1 dist 7.07399 11.0528 5.89412 5.88545 9.41935 14.8121 5.49251 6.23015 6.91314 10.5167 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 7.51452 16.5895 9.20198 10.0614 6.70097 11.637 16.3456 9.07213 4.18921 12.8405 numMergedOcc 0
3 mol 20 unq 0 iso 1 dist 9.20198 16.5895 7.51452 11.637 6.70097 10.0614 4.18921 9.07213 16.3456 12.8405 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.4051 15.5315 7.29868 13.2525 6.23824 4.99125 10.1698 6.61696 8.91183 5.97274 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 7.29868 15.5315 8.4051 4.99125 6.23824 13.2525 8.91183 6.61696 10.1698 5.97274 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.4051 15.5315 7.29868 13.2525 6.23824 4.99125 13.6174 5.80953 5.69214 6.46192 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 7.29868 15.5315 8.4051 4.99125 6.23824 13.2525 5.69214 5.80953 13.6174 6.46192 numMergedOcc 0
8 mol 24 unq 2 iso 0 dist 8.4051 14.6259 8.60554 13.2525 6.23824 11.4659 10.1698 6.61696 14.8647 5.97274 numMergedOcc 0
9 mol 24 unq 2 iso 1 dist 8.60554 14.6259 8.4051 11.4659 6.23824 13.2525 14.8647 6.61696 10.1698 5.97274 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 8.4051 14.6259 8.60554 13.2525 6.23824 11.4659 13.6174 5.80953 5.11636 6.46192 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 8.60554 14.6259 8.4051 11.4659 6.23824 13.2525 5.11636 5.80953 13.6174 6.46192 numMergedOcc 0
12 mol 24 unq 2 iso 0 dist 7.29868 10.0952 8.60554 4.99125 6.23824 11.4659 8.91183 6.61696 14.8647 5.97274 numMergedOcc 0
13 mol 24 unq 2 iso 1 dist 8.60554 10.0952 7.29868 11.4659 6.23824 4.99125 14.8647 6.61696 8.91183 5.97274 numMergedOcc 0
14 mol 24 unq 3 iso 0 dist 7.29868 10.0952 8.60554 4.99125 6.23824 11.4659 5.69214 5.80953 5.11636 6.46192 numMergedOcc 0
15 mol 24 unq 3 iso 1 dist 8.60554 10.0952 7.29868 11.4659 6.23824 4.99125 5.11636 5.80953 5.69214 6.46192 numMergedOcc 0
16 mol 100 unq 0 iso 0 dist 7.01812 5.88134 8.30845 8.07089 6.84692 12.8256 4.03277 6.59691 6.23008 8.59989 numMergedOcc 0
17 mol 100 unq 0 iso 1 dist 8.30845 5.88134 7.01812 12.8256 6.84692 8.07089 6.23008 6.59691 4.03277 8.59989 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 6.16242 7.81217 5.87634 5.47259 6.49688 4.70102 13.0405 8.83732 13.7612 13.2024 numMergedOcc 0
19 mol 133 unq 0 iso 1 dist 5.87634 7.81217 6.16242 4.70102 6.49688 5.47259 13.7612 8.83732 13.0405 13.2024 numMergedOcc 0
20 mol 135 unq 0 iso 0 dist 7.90563 6.57193 8.97655 10.5706 7.83735 11.8378 8.50814 7.17599 3.95636 11.796 numMergedOcc 0
21 mol 135 unq 0 iso 1 dist 8.97655 6.57193 7.90563 11.8378 7.83735 10.5706 3.95636 7.17599 8.50814 11.796 numMergedOcc 0
22 mol 170 unq 0 iso 0 dist 9.10511 6.52462 6.35982 6.22427 8.20406 9.77705 4.12764 6.47164 4.78249 5.40635 numMergedOcc 0
23 mol 170 unq 0 iso 1 dist 6.35982 6.52462 9.10511 9.77705 8.20406 6.22427 4.78249 6.47164 4.12764 5.40635 numMergedOcc 0
24 mol 170 unq 1 iso 0 dist 9.10511 6.52462 6.35982 4.72207 7.19802 5.36359 4.12764 6.47164 4.78249 6.09207 numMergedOcc 0
25 mol 170 unq 1 iso 1 dist 6.35982 6.52462 9.10511 5.36359 7.19802 4.72207 4.78249 6.47164 4.12764 6.09207 numMergedOcc 0
26 mol 170 unq 2 iso 0 dist 9.10511 6.52462 6.35982 8.94639 7.75807 8.84552 4.12764 6.47164 4.78249 9.84933 numMergedOcc 0
27 mol 170 unq 2 iso 1 dist 6.35982 6.52462 9.10511 8.84552 7.75807 8.94639 4.78249 6.47164 4.12764 9.84933 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 6.36341 8.31875 6.21292 9.82715 5.3481 6.55862 13.089 7.39085 10.5354 4.81611 numMergedOcc 0
29 mol 235 unq 0 iso 1 dist 6.21292 8.31875 6.36341 6.55862 5.3481 9.82715 10.5354 7.39085 13.089 4.81611 numMergedOcc 0
30 mol 235 unq 1 iso 0 dist 6.36341 10.5547 9.21736 9.82715 5.3481 6.8239 13.089 7.39085 11.3865 4.81611 numMergedOcc 0
31 mol 235 unq 1 iso 1 dist 9.21736 10.5547 6.36341 6.8239 5.3481 9.82715 11.3865 7.39085 13.089 4.81611 numMergedOcc 0
32 mol 235 unq 1 iso 0 dist 6.21292 4.53064 9.21736 6.55862 5.3481 6.8239 10.5354 7.39085 11.3865 4.81611 numMergedOcc 0
33 mol 235 unq 1 iso 1 dist 9.21736 4.53064 6.21292 6.8239 5.3481 6.55862 11.3865 7.39085 10.5354 4.81611 numMergedOcc 0
34 mol 273 unq 0 iso 0 dist 8.83865 5.96724 9.18157 9.75887 6.83684 7.29345 4.24707 7.85836 6.65672 6.91408 numMergedOcc 0
35 mol 273 unq 0 iso 1 dist 9.18157 5.96724 8.83865 7.29345 6.83684 9.75887 6.65672 7.85836 4.24707 6.91408 numMergedOcc 0
36 mol 273 unq 1 iso 0 dist 8.83865 5.96724 9.18157 9.75887 6.83684 7.29345 8.56043 6.35532 8.81454 4.04219 numMergedOcc 0
37 mol 273 unq 1 iso 1 dist 9.18157 5.96724 8.83865 7.29345 6.83684 9.75887 8.81454 6.35532 8.56043 4.04219 numMergedOcc 0
38 mol 274 unq 0 iso 0 dist 7.46394 10.501 9.45514 10.0578 7.1364 10.0247 5.22914 7.77765 12.393 13.3529 numMergedOcc 0
39 mol 274 unq 0 iso 1 dist 9.45514 10.501 7.46394 10.0247 7.1364 10.0578 12.393 7.77765 5.22914 13.3529 numMergedOcc 0
40 mol 274 unq 1 iso 0 dist 7.46394 10.501 9.45514 10.0578 7.1364 10.0247 14.7507 9.65868 8.87855 13.7073 numMergedOcc 0
41 mol 274 unq 1 iso 1 dist 9.45514 10.501 7.46394 10.0247 7.1364 10.0578 8.87855 9.65868 14.7507 13.7073 numMergedOcc 0
42 mol 274 unq 2 iso 0 dist 7.46394 14.3919 8.91672 10.0578 7.1364 5.25703 5.22914 7.77765 16.5034 13.3529 numMergedOcc 0
43 mol 274 unq 2 iso 1 dist 8.91672 14.3919 7.46394 5.25703 7.1364 10.0578 16.5034 7.77765 5.22914 13.3529 numMergedOcc 0
44 mol 274 unq 3 iso 0 dist 7.46394 14.3919 8.91672 10.0578 7.1364 5.25703 14.7507 9.65868 12.5615 13.7073 numMergedOcc 0
45 mol 274 unq 3 iso 1 dist 8.91672 14.3919 7.46394 5.25703 7.1364 10.0578 12.5615 9.65868 14.7507 13.7073 numMergedOcc 0
46 mol 274 unq 4 iso 0 dist 7.46394 6.15918 7.1729 10.0578 7.1364 5.56942 5.22914 7.77765 10.2884 13.3529 numMergedOcc 0
47 mol 274 unq 4 iso 1 dist 7.1729 6.15918 7.46394 5.56942 7.1364 10.0578 10.2884 7.77765 5.22914 13.3529 numMergedOcc 0
48 mol 274 unq 5 iso 0 dist 7.46394 6.15918 7.1729 10.0578 7.1364 5.56942 14.7507 9.65868 13.0867 13.7073 numMergedOcc 0
49 mol 274 unq 5 iso 1 dist 7.1729 6.15918 7.46394 5.56942 7.1364 10.0578 13.0867 9.65868 14.7507 13.7073 numMergedOcc 0
50 mol 274 unq 2 iso 0 dist 9.45514 11.7196 8.91672 10.0247 7.1364 5.25703 12.393 7.77765 16.5034 13.3529 numMergedOcc 0
51 mol 274 unq 2 iso 1 dist 8.91672 11.7196 9.45514 5.25703 7.1364 10.0247 16.5034 7.77765 12.393 13.3529 numMergedOcc 0
52 mol 274 unq 3 iso 0 dist 9.45514 11.7196 8.91672 10.0247 7.1364 5.25703 8.87855 9.65868 12.5615 13.7073 numMergedOcc 0
53 mol 274 unq 3 iso 1 dist 8.91672 11.7196 9.45514 5.25703 7.1364 10.0247 12.5615 9.65868 8.87855 13.7073 numMergedOcc 0
54 mol 274 unq 4 iso 0 dist 9.45514 6.828 7.1729 10.0247 7.1364 5.56942 12.393 7.77765 10.2884 13.3529 numMergedOcc 0
55 mol 274 unq 4 iso 1 dist 7.1729 6.828 9.45514 5.56942 7.1364 10.0247 10.2884 7.77765 12.393 13.3529 numMergedOcc 0
56 mol 274 unq 5 iso 0 dist 9.45514 6.828 7.1729 10.0247 7.1364 5.56942 8.87855 9.65868 13.0867 13.7073 numMergedOcc 0
57 mol 274 unq 5 iso 1 dist 7.1729 6.828 9.45514 5.56942 7.1364 10.0247 13.0867 9.65868 8.87855 13.7073 numMergedOcc 0
58 mol 274 unq 4 iso 0 dist 8.91672 10.0083 7.1729 5.25703 7.1364 5.56942 16.5034 7.77765 10.2884 13.3529 numMergedOcc 0
59 mol 274 unq 4 iso 1 dist 7.1729 10.0083 8.91672 5.56942 7.1364 5.25703 10.2884 7.77765 16.5034 13.3529 numMergedOcc 0
60 mol 274 unq 5 iso 0 dist 8.91672 10.0083 7.1729 5.25703 7.1364 5.56942 12.5615 9.65868 13.0867 13.7073 numMergedOcc 0
61 mol 274 unq 5 iso 1 dist 7.1729 10.0083 8.91672 5.56942 7.1364 5.25703 13.0867 9.65868 12.5615 13.7073 numMergedOcc 0
62 mol 274 unq 6 iso 0 dist 8.52587 11.3308 6.39866 5.87456 5.0002 6.38211 16.9539 8.60027 8.87855 12.616 numMergedOcc 0
63 mol 274 unq 6 iso 1 dist 6.39866 11.3308 8.52587 6.38211 5.0002 5.87456 8.87855 8.60027 16.9539 12.616 numMergedOcc 0
