0 mol 7 unq 0 iso 0 dist 8.75465 15.0884 9.87885 6.3236 6.1206 13.2247 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.75465 6.3236 6.1206 15.0884 9.87885 13.2247 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.74209 5.5249 6.6263 10.4413 6.75943 8.13395 numMergedOcc 0
3 mol 43 unq 0 iso 1 dist 8.74209 10.4413 6.75943 5.5249 6.6263 8.13395 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 9.85555 5.46715 6.6263 12.902 6.75943 8.13395 numMergedOcc 0
5 mol 43 unq 1 iso 1 dist 9.85555 12.902 6.75943 5.46715 6.6263 8.13395 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 7.21134 9.59206 5.99857 10.6174 6.9362 8.99811 numMergedOcc 0
7 mol 69 unq 0 iso 1 dist 7.21134 10.6174 6.9362 9.59206 5.99857 8.99811 numMergedOcc 0
8 mol 69 unq 1 iso 0 dist 7.40698 5.36659 5.99857 5.6966 6.9362 8.99811 numMergedOcc 0
9 mol 69 unq 1 iso 1 dist 7.40698 5.6966 6.9362 5.36659 5.99857 8.99811 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 8.57607 4.16047 8.27883 8.68514 7.7152 6.59884 numMergedOcc 0
11 mol 95 unq 0 iso 1 dist 8.57607 8.68514 7.7152 4.16047 8.27883 6.59884 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 5.91797 15.3018 9.64383 9.41666 7.54889 13.659 numMergedOcc 0
13 mol 98 unq 0 iso 1 dist 5.91797 9.41666 7.54889 15.3018 9.64383 13.659 numMergedOcc 0
14 mol 98 unq 1 iso 0 dist 5.91797 15.3018 9.64383 9.57791 7.78931 14.591 numMergedOcc 0
15 mol 98 unq 1 iso 1 dist 5.91797 9.57791 7.78931 15.3018 9.64383 14.591 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 5.91797 9.41666 7.54889 9.57791 7.78931 5.02887 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 5.91797 9.57791 7.78931 9.41666 7.54889 5.02887 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 6.37954 5.90686 5.10496 11.2946 5.92242 9.51923 numMergedOcc 0
19 mol 98 unq 2 iso 1 dist 6.37954 11.2946 5.92242 5.90686 5.10496 9.51923 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 6.37954 5.90686 5.10496 9.41666 5.2571 8.40073 numMergedOcc 0
21 mol 98 unq 3 iso 1 dist 6.37954 9.41666 5.2571 5.90686 5.10496 8.40073 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 6.37954 5.90686 5.10496 9.57791 8.7497 10.2427 numMergedOcc 0
23 mol 98 unq 4 iso 1 dist 6.37954 9.57791 8.7497 5.90686 5.10496 10.2427 numMergedOcc 0
24 mol 98 unq 3 iso 0 dist 6.37954 11.2946 5.92242 9.41666 5.2571 9.42358 numMergedOcc 0
25 mol 98 unq 3 iso 1 dist 6.37954 9.41666 5.2571 11.2946 5.92242 9.42358 numMergedOcc 0
26 mol 98 unq 4 iso 0 dist 6.37954 11.2946 5.92242 9.57791 8.7497 13.9786 numMergedOcc 0
27 mol 98 unq 4 iso 1 dist 6.37954 9.57791 8.7497 11.2946 5.92242 13.9786 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 6.37954 9.41666 5.2571 9.57791 8.7497 5.02887 numMergedOcc 0
29 mol 98 unq 4 iso 1 dist 6.37954 9.57791 8.7497 9.41666 5.2571 5.02887 numMergedOcc 0
30 mol 109 unq 0 iso 0 dist 6.62354 4.91393 9.89083 5.68669 8.52024 7.15843 numMergedOcc 0
31 mol 109 unq 0 iso 1 dist 6.62354 5.68669 8.52024 4.91393 9.89083 7.15843 numMergedOcc 0
32 mol 109 unq 1 iso 0 dist 8.00085 12.0697 9.89083 6.80429 8.52024 7.15843 numMergedOcc 0
33 mol 109 unq 1 iso 1 dist 8.00085 6.80429 8.52024 12.0697 9.89083 7.15843 numMergedOcc 0
34 mol 134 unq 0 iso 0 dist 7.76446 6.47007 6.42772 10.4858 9.1998 11.6064 numMergedOcc 0
35 mol 134 unq 0 iso 1 dist 7.76446 10.4858 9.1998 6.47007 6.42772 11.6064 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 7.76446 6.47007 6.42772 14.3375 8.70621 13.7309 numMergedOcc 0
37 mol 134 unq 1 iso 1 dist 7.76446 14.3375 8.70621 6.47007 6.42772 13.7309 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 7.76446 10.4858 9.1998 14.3375 8.70621 7.09823 numMergedOcc 0
39 mol 134 unq 1 iso 1 dist 7.76446 14.3375 8.70621 10.4858 9.1998 7.09823 numMergedOcc 0
40 mol 134 unq 2 iso 0 dist 6.14652 7.07625 9.33094 10.4858 8.69531 6.81259 numMergedOcc 0
41 mol 134 unq 2 iso 1 dist 6.14652 10.4858 8.69531 7.07625 9.33094 6.81259 numMergedOcc 0
42 mol 152 unq 0 iso 0 dist 9.4275 5.65129 6.59889 10.5295 6.70693 7.65448 numMergedOcc 0
43 mol 152 unq 0 iso 1 dist 9.4275 10.5295 6.70693 5.65129 6.59889 7.65448 numMergedOcc 0
44 mol 186 unq 0 iso 0 dist 6.04336 4.70216 9.3498 6.13422 7.05695 6.83796 numMergedOcc 0
45 mol 186 unq 0 iso 1 dist 6.04336 6.13422 7.05695 4.70216 9.3498 6.83796 numMergedOcc 0
46 mol 186 unq 1 iso 0 dist 9.00537 11.4985 8.90571 9.40374 6.61112 7.09479 numMergedOcc 0
47 mol 186 unq 1 iso 1 dist 9.00537 9.40374 6.61112 11.4985 8.90571 7.09479 numMergedOcc 0
48 mol 186 unq 2 iso 0 dist 8.9388 8.63909 8.90571 12.4751 6.61112 7.09479 numMergedOcc 0
49 mol 186 unq 2 iso 1 dist 8.9388 12.4751 6.61112 8.63909 8.90571 7.09479 numMergedOcc 0
50 mol 207 unq 0 iso 0 dist 9.05688 10.6526 9.98372 5.6688 6.0563 5.99308 numMergedOcc 0
51 mol 207 unq 0 iso 1 dist 9.05688 5.6688 6.0563 10.6526 9.98372 5.99308 numMergedOcc 0
52 mol 229 unq 0 iso 0 dist 9.90415 6.52416 7.27993 9.71486 9.51168 5.1556 numMergedOcc 0
53 mol 229 unq 0 iso 1 dist 9.90415 9.71486 9.51168 6.52416 7.27993 5.1556 numMergedOcc 0
54 mol 229 unq 1 iso 0 dist 9.90415 6.52416 7.27993 12.9522 6.95201 7.0298 numMergedOcc 0
55 mol 229 unq 1 iso 1 dist 9.90415 12.9522 6.95201 6.52416 7.27993 7.0298 numMergedOcc 0
56 mol 229 unq 1 iso 0 dist 9.90415 9.71486 9.51168 12.9522 6.95201 6.54885 numMergedOcc 0
57 mol 229 unq 1 iso 1 dist 9.90415 12.9522 6.95201 9.71486 9.51168 6.54885 numMergedOcc 0
58 mol 229 unq 2 iso 0 dist 5.96615 6.81165 7.27993 5.33253 9.51168 5.1556 numMergedOcc 0
59 mol 229 unq 2 iso 1 dist 5.96615 5.33253 9.51168 6.81165 7.27993 5.1556 numMergedOcc 0
60 mol 229 unq 3 iso 0 dist 5.96615 6.81165 7.27993 6.21905 6.95201 7.0298 numMergedOcc 0
61 mol 229 unq 3 iso 1 dist 5.96615 6.21905 6.95201 6.81165 7.27993 7.0298 numMergedOcc 0
62 mol 229 unq 3 iso 0 dist 5.96615 5.33253 9.51168 6.21905 6.95201 6.54885 numMergedOcc 0
63 mol 229 unq 3 iso 1 dist 5.96615 6.21905 6.95201 5.33253 9.51168 6.54885 numMergedOcc 0
64 mol 234 unq 0 iso 0 dist 9.73257 14.9272 7.81215 6.44395 5.64285 10.2693 numMergedOcc 0
65 mol 234 unq 0 iso 1 dist 9.73257 6.44395 5.64285 14.9272 7.81215 10.2693 numMergedOcc 0
66 mol 235 unq 0 iso 0 dist 6.92276 6.19292 6.29377 6.83244 5.70635 7.218 numMergedOcc 0
67 mol 235 unq 0 iso 1 dist 6.92276 6.83244 5.70635 6.19292 6.29377 7.218 numMergedOcc 0
68 mol 235 unq 1 iso 0 dist 8.75776 11.041 6.29377 7.64039 5.70635 7.218 numMergedOcc 0
69 mol 235 unq 1 iso 1 dist 8.75776 7.64039 5.70635 11.041 6.29377 7.218 numMergedOcc 0
70 mol 277 unq 0 iso 0 dist 7.88009 13.3794 9.57499 5.90394 5.46926 7.69449 numMergedOcc 0
71 mol 277 unq 0 iso 1 dist 7.88009 5.90394 5.46926 13.3794 9.57499 7.69449 numMergedOcc 0
72 mol 277 unq 1 iso 0 dist 7.88009 13.3794 9.57499 9.57081 8.9682 11.8268 numMergedOcc 0
73 mol 277 unq 1 iso 1 dist 7.88009 9.57081 8.9682 13.3794 9.57499 11.8268 numMergedOcc 0
74 mol 277 unq 1 iso 0 dist 7.88009 5.90394 5.46926 9.57081 8.9682 7.08227 numMergedOcc 0
75 mol 277 unq 1 iso 1 dist 7.88009 9.57081 8.9682 5.90394 5.46926 7.08227 numMergedOcc 0
76 mol 277 unq 2 iso 0 dist 5.80061 5.90394 5.13913 9.57081 6.92711 7.08227 numMergedOcc 0
77 mol 277 unq 2 iso 1 dist 5.80061 9.57081 6.92711 5.90394 5.13913 7.08227 numMergedOcc 0
78 mol 284 unq 0 iso 0 dist 7.62783 5.22669 9.19921 5.63763 6.41303 5.10183 numMergedOcc 0
79 mol 284 unq 0 iso 1 dist 7.62783 5.63763 6.41303 5.22669 9.19921 5.10183 numMergedOcc 0
