0 mol 20 unq 0 iso 0 dist 8.93826 3.92155 7.17695 5.39275 7.47395 5.17224 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 7.17695 3.92155 8.93826 5.17224 7.47395 5.39275 numMergedOcc 0
2 mol 83 unq 0 iso 0 dist 9.94528 6.07706 8.94777 5.31562 7.50925 8.56578 numMergedOcc 0
3 mol 83 unq 0 iso 1 dist 8.94777 6.07706 9.94528 8.56578 7.50925 5.31562 numMergedOcc 0
4 mol 83 unq 1 iso 0 dist 9.94528 6.07706 8.94777 9.24212 6.96722 12.1198 numMergedOcc 0
5 mol 83 unq 1 iso 1 dist 8.94777 6.07706 9.94528 12.1198 6.96722 9.24212 numMergedOcc 0
6 mol 83 unq 2 iso 0 dist 9.94528 10.6092 9.47551 5.31562 7.50925 7.14423 numMergedOcc 0
7 mol 83 unq 2 iso 1 dist 9.47551 10.6092 9.94528 7.14423 7.50925 5.31562 numMergedOcc 0
8 mol 83 unq 3 iso 0 dist 9.94528 10.6092 9.47551 9.24212 6.96722 3.76903 numMergedOcc 0
9 mol 83 unq 3 iso 1 dist 9.47551 10.6092 9.94528 3.76903 6.96722 9.24212 numMergedOcc 0
10 mol 83 unq 2 iso 0 dist 8.94777 14.4438 9.47551 8.56578 7.50925 7.14423 numMergedOcc 0
11 mol 83 unq 2 iso 1 dist 9.47551 14.4438 8.94777 7.14423 7.50925 8.56578 numMergedOcc 0
12 mol 83 unq 3 iso 0 dist 8.94777 14.4438 9.47551 12.1198 6.96722 3.76903 numMergedOcc 0
13 mol 83 unq 3 iso 1 dist 9.47551 14.4438 8.94777 3.76903 6.96722 12.1198 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 5.48163 6.46167 7.7399 6.87448 8.10623 12.6706 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 7.7399 6.46167 5.48163 12.6706 8.10623 6.87448 numMergedOcc 0
16 mol 98 unq 0 iso 0 dist 9.68556 4.66569 8.73928 4.48773 6.5816 3.78499 numMergedOcc 0
17 mol 98 unq 0 iso 1 dist 8.73928 4.66569 9.68556 3.78499 6.5816 4.48773 numMergedOcc 0
18 mol 128 unq 0 iso 0 dist 5.38983 9.43368 8.46801 3.81254 7.76123 7.67031 numMergedOcc 0
19 mol 128 unq 0 iso 1 dist 8.46801 9.43368 5.38983 7.67031 7.76123 3.81254 numMergedOcc 0
20 mol 128 unq 1 iso 0 dist 5.38983 9.43368 8.46801 6.13996 6.08651 4.62046 numMergedOcc 0
21 mol 128 unq 1 iso 1 dist 8.46801 9.43368 5.38983 4.62046 6.08651 6.13996 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 9.48934 9.03348 6.41183 10.5537 5.60448 5.51254 numMergedOcc 0
23 mol 141 unq 0 iso 1 dist 6.41183 9.03348 9.48934 5.51254 5.60448 10.5537 numMergedOcc 0
24 mol 151 unq 0 iso 0 dist 9.98086 4.41114 8.89982 9.37572 9.37533 8.61721 numMergedOcc 0
25 mol 151 unq 0 iso 1 dist 8.89982 4.41114 9.98086 8.61721 9.37533 9.37572 numMergedOcc 0
26 mol 151 unq 1 iso 0 dist 9.98086 8.79607 6.12972 9.37572 9.37533 3.96406 numMergedOcc 0
27 mol 151 unq 1 iso 1 dist 6.12972 8.79607 9.98086 3.96406 9.37533 9.37572 numMergedOcc 0
28 mol 151 unq 1 iso 0 dist 8.89982 6.82905 6.12972 8.61721 9.37533 3.96406 numMergedOcc 0
29 mol 151 unq 1 iso 1 dist 6.12972 6.82905 8.89982 3.96406 9.37533 8.61721 numMergedOcc 0
30 mol 232 unq 0 iso 0 dist 8.54126 9.60695 7.64079 8.96559 9.64861 6.09979 numMergedOcc 0
31 mol 232 unq 0 iso 1 dist 7.64079 9.60695 8.54126 6.09979 9.64861 8.96559 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 9.35293 3.47783 7.93375 7.2339 6.96692 3.87565 numMergedOcc 0
33 mol 266 unq 0 iso 1 dist 7.93375 3.47783 9.35293 3.87565 6.96692 7.2339 numMergedOcc 0
34 mol 266 unq 1 iso 0 dist 9.35293 3.47783 7.93375 12.15 8.25286 9.25882 numMergedOcc 0
35 mol 266 unq 1 iso 1 dist 7.93375 3.47783 9.35293 9.25882 8.25286 12.15 numMergedOcc 0
36 mol 266 unq 2 iso 0 dist 9.35293 3.47783 7.93375 14.8334 9.9965 12.1357 numMergedOcc 0
37 mol 266 unq 2 iso 1 dist 7.93375 3.47783 9.35293 12.1357 9.9965 14.8334 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 8.72101 12.609 5.11998 14.313 7.98956 7.31817 numMergedOcc 0
39 mol 277 unq 0 iso 1 dist 5.11998 12.609 8.72101 7.31817 7.98956 14.313 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 8.72101 12.609 5.11998 13.2017 5.86185 3.91224 numMergedOcc 0
41 mol 277 unq 1 iso 1 dist 5.11998 12.609 8.72101 3.91224 5.86185 13.2017 numMergedOcc 0
42 mol 277 unq 2 iso 0 dist 8.72101 12.609 5.11998 10.3346 6.79748 10.8296 numMergedOcc 0
43 mol 277 unq 2 iso 1 dist 5.11998 12.609 8.72101 10.8296 6.79748 10.3346 numMergedOcc 0
44 mol 277 unq 3 iso 0 dist 8.75619 12.609 5.79925 10.3346 6.53598 10.8296 numMergedOcc 0
45 mol 277 unq 3 iso 1 dist 5.79925 12.609 8.75619 10.8296 6.53598 10.3346 numMergedOcc 0
46 mol 277 unq 4 iso 0 dist 8.75619 15.6996 8.55906 10.3346 6.53598 8.55356 numMergedOcc 0
47 mol 277 unq 4 iso 1 dist 8.55906 15.6996 8.75619 8.55356 6.53598 10.3346 numMergedOcc 0
48 mol 277 unq 5 iso 0 dist 8.75619 9.36807 5.55523 10.3346 6.53598 10.7151 numMergedOcc 0
49 mol 277 unq 5 iso 1 dist 5.55523 9.36807 8.75619 10.7151 6.53598 10.3346 numMergedOcc 0
50 mol 277 unq 4 iso 0 dist 5.79925 11.9501 8.55906 10.8296 6.53598 8.55356 numMergedOcc 0
51 mol 277 unq 4 iso 1 dist 8.55906 11.9501 5.79925 8.55356 6.53598 10.8296 numMergedOcc 0
52 mol 277 unq 5 iso 0 dist 5.79925 9.40918 5.55523 10.8296 6.53598 10.7151 numMergedOcc 0
53 mol 277 unq 5 iso 1 dist 5.55523 9.40918 5.79925 10.7151 6.53598 10.8296 numMergedOcc 0
54 mol 277 unq 5 iso 0 dist 8.55906 9.84246 5.55523 8.55356 6.53598 10.7151 numMergedOcc 0
55 mol 277 unq 5 iso 1 dist 5.55523 9.84246 8.55906 10.7151 6.53598 8.55356 numMergedOcc 0
56 mol 281 unq 0 iso 0 dist 9.13909 10.3921 4.29351 9.85344 5.33372 3.50686 numMergedOcc 0
57 mol 281 unq 0 iso 1 dist 4.29351 10.3921 9.13909 3.50686 5.33372 9.85344 numMergedOcc 0
58 mol 281 unq 1 iso 0 dist 9.13909 10.3921 4.29351 9.11195 6.56886 7.74065 numMergedOcc 0
59 mol 281 unq 1 iso 1 dist 4.29351 10.3921 9.13909 7.74065 6.56886 9.11195 numMergedOcc 0
