0 mol 26 unq 0 iso 0 dist 6.15893 5.497 4.36675 9.06516 5.29055 4.76998 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 5.497 6.15893 4.36675 9.06516 4.76998 5.29055 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.15893 5.497 4.36675 6.79475 6.64374 5.39199 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 5.497 6.15893 4.36675 6.79475 5.39199 6.64374 numMergedOcc 0
4 mol 27 unq 0 iso 0 dist 8.71752 7.60283 9.51391 6.78936 10.8132 13.4461 numMergedOcc 0
5 mol 27 unq 0 iso 1 dist 7.60283 8.71752 9.51391 6.78936 13.4461 10.8132 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 6.73801 6.42834 10.1421 7.29079 4.23447 11.5146 numMergedOcc 0
7 mol 41 unq 0 iso 1 dist 6.42834 6.73801 10.1421 7.29079 11.5146 4.23447 numMergedOcc 0
8 mol 59 unq 0 iso 0 dist 9.43355 7.9327 15.8093 8.67634 13.144 9.37875 numMergedOcc 0
9 mol 59 unq 0 iso 1 dist 7.9327 9.43355 15.8093 8.67634 9.37875 13.144 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 7.36017 5.14819 6.71205 8.7789 3.9234 6.1079 numMergedOcc 0
11 mol 126 unq 0 iso 1 dist 5.14819 7.36017 6.71205 8.7789 6.1079 3.9234 numMergedOcc 0
12 mol 126 unq 1 iso 0 dist 7.36017 5.14819 6.71205 9.93613 5.50104 7.02562 numMergedOcc 0
13 mol 126 unq 1 iso 1 dist 5.14819 7.36017 6.71205 9.93613 7.02562 5.50104 numMergedOcc 0
14 mol 126 unq 2 iso 0 dist 7.36017 6.84245 10.7821 8.7789 3.9234 9.58426 numMergedOcc 0
15 mol 126 unq 2 iso 1 dist 6.84245 7.36017 10.7821 8.7789 9.58426 3.9234 numMergedOcc 0
16 mol 126 unq 3 iso 0 dist 7.36017 6.84245 10.7821 9.93613 5.50104 11.1195 numMergedOcc 0
17 mol 126 unq 3 iso 1 dist 6.84245 7.36017 10.7821 9.93613 11.1195 5.50104 numMergedOcc 0
18 mol 126 unq 2 iso 0 dist 5.14819 6.84245 4.32209 8.7789 6.1079 9.58426 numMergedOcc 0
19 mol 126 unq 2 iso 1 dist 6.84245 5.14819 4.32209 8.7789 9.58426 6.1079 numMergedOcc 0
20 mol 126 unq 3 iso 0 dist 5.14819 6.84245 4.32209 9.93613 7.02562 11.1195 numMergedOcc 0
21 mol 126 unq 3 iso 1 dist 6.84245 5.14819 4.32209 9.93613 11.1195 7.02562 numMergedOcc 0
22 mol 128 unq 0 iso 0 dist 7.75012 6.98158 10.8727 6.47811 10.5938 5.91388 numMergedOcc 0
23 mol 128 unq 0 iso 1 dist 6.98158 7.75012 10.8727 6.47811 5.91388 10.5938 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 7.41399 8.21165 4.40317 8.55349 11.4316 12.3375 numMergedOcc 0
25 mol 133 unq 0 iso 1 dist 8.21165 7.41399 4.40317 8.55349 12.3375 11.4316 numMergedOcc 0
26 mol 133 unq 1 iso 0 dist 7.41399 8.97945 8.99658 8.55349 11.4316 4.10674 numMergedOcc 0
27 mol 133 unq 1 iso 1 dist 8.97945 7.41399 8.99658 8.55349 4.10674 11.4316 numMergedOcc 0
28 mol 133 unq 2 iso 0 dist 7.41399 9.50664 14.7682 8.55349 11.4316 6.24625 numMergedOcc 0
29 mol 133 unq 2 iso 1 dist 9.50664 7.41399 14.7682 8.55349 6.24625 11.4316 numMergedOcc 0
30 mol 133 unq 3 iso 0 dist 7.41399 6.71555 9.63809 8.55349 11.4316 6.11861 numMergedOcc 0
31 mol 133 unq 3 iso 1 dist 6.71555 7.41399 9.63809 8.55349 6.11861 11.4316 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 8.21165 8.97945 10.8204 8.55349 12.3375 4.10674 numMergedOcc 0
33 mol 133 unq 1 iso 1 dist 8.97945 8.21165 10.8204 8.55349 4.10674 12.3375 numMergedOcc 0
34 mol 133 unq 2 iso 0 dist 8.21165 9.50664 16.3424 8.55349 12.3375 6.24625 numMergedOcc 0
35 mol 133 unq 2 iso 1 dist 9.50664 8.21165 16.3424 8.55349 6.24625 12.3375 numMergedOcc 0
36 mol 133 unq 3 iso 0 dist 8.21165 6.71555 12.3323 8.55349 12.3375 6.11861 numMergedOcc 0
37 mol 133 unq 3 iso 1 dist 6.71555 8.21165 12.3323 8.55349 6.11861 12.3375 numMergedOcc 0
38 mol 133 unq 2 iso 0 dist 8.97945 9.50664 8.99753 8.55349 4.10674 6.24625 numMergedOcc 0
39 mol 133 unq 2 iso 1 dist 9.50664 8.97945 8.99753 8.55349 6.24625 4.10674 numMergedOcc 0
40 mol 133 unq 3 iso 0 dist 8.97945 6.71555 5.75201 8.55349 4.10674 6.11861 numMergedOcc 0
41 mol 133 unq 3 iso 1 dist 6.71555 8.97945 5.75201 8.55349 6.11861 4.10674 numMergedOcc 0
42 mol 133 unq 3 iso 0 dist 9.50664 6.71555 5.98781 8.55349 6.24625 6.11861 numMergedOcc 0
43 mol 133 unq 3 iso 1 dist 6.71555 9.50664 5.98781 8.55349 6.11861 6.24625 numMergedOcc 0
44 mol 133 unq 4 iso 0 dist 6.51868 7.34698 7.33253 9.10003 10.0161 11.7838 numMergedOcc 0
45 mol 133 unq 4 iso 1 dist 7.34698 6.51868 7.33253 9.10003 11.7838 10.0161 numMergedOcc 0
46 mol 159 unq 0 iso 0 dist 6.72852 8.52082 7.73341 8.88492 5.72663 13.0629 numMergedOcc 0
47 mol 159 unq 0 iso 1 dist 8.52082 6.72852 7.73341 8.88492 13.0629 5.72663 numMergedOcc 0
48 mol 173 unq 0 iso 0 dist 8.41245 6.64779 7.69792 8.62366 16.0084 11.3761 numMergedOcc 0
49 mol 173 unq 0 iso 1 dist 6.64779 8.41245 7.69792 8.62366 11.3761 16.0084 numMergedOcc 0
50 mol 173 unq 1 iso 0 dist 8.41245 6.64779 7.69792 9.44973 13.8465 9.90783 numMergedOcc 0
51 mol 173 unq 1 iso 1 dist 6.64779 8.41245 7.69792 9.44973 9.90783 13.8465 numMergedOcc 0
52 mol 173 unq 2 iso 0 dist 8.41245 6.64779 7.69792 6.52508 11.2063 4.60149 numMergedOcc 0
53 mol 173 unq 2 iso 1 dist 6.64779 8.41245 7.69792 6.52508 4.60149 11.2063 numMergedOcc 0
54 mol 237 unq 0 iso 0 dist 5.98039 9.48932 5.62416 7.12731 4.08768 5.64112 numMergedOcc 0
55 mol 237 unq 0 iso 1 dist 9.48932 5.98039 5.62416 7.12731 5.64112 4.08768 numMergedOcc 0
56 mol 238 unq 0 iso 0 dist 8.09718 6.73446 6.25098 8.69525 15.3328 10.3346 numMergedOcc 0
57 mol 238 unq 0 iso 1 dist 6.73446 8.09718 6.25098 8.69525 10.3346 15.3328 numMergedOcc 0
