0 mol 7 unq 0 iso 0 dist 5.72491 12.2041 7.88043 4.87279 7.12105 10.6847 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.88043 12.2041 5.72491 10.6847 7.12105 4.87279 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 6.82379 6.94408 6.24978 9.6474 8.3997 6.6137 numMergedOcc 0
3 mol 8 unq 0 iso 1 dist 6.24978 6.94408 6.82379 6.6137 8.3997 9.6474 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 6.82379 11.2508 9.66439 9.6474 8.3997 11.1937 numMergedOcc 0
5 mol 8 unq 1 iso 1 dist 9.66439 11.2508 6.82379 11.1937 8.3997 9.6474 numMergedOcc 0
6 mol 8 unq 2 iso 0 dist 6.82379 12.4076 7.3915 9.6474 8.3997 13.6649 numMergedOcc 0
7 mol 8 unq 2 iso 1 dist 7.3915 12.4076 6.82379 13.6649 8.3997 9.6474 numMergedOcc 0
8 mol 8 unq 1 iso 0 dist 6.24978 5.3787 9.66439 6.6137 8.3997 11.1937 numMergedOcc 0
9 mol 8 unq 1 iso 1 dist 9.66439 5.3787 6.24978 11.1937 8.3997 6.6137 numMergedOcc 0
10 mol 8 unq 2 iso 0 dist 6.24978 9.22548 7.3915 6.6137 8.3997 13.6649 numMergedOcc 0
11 mol 8 unq 2 iso 1 dist 7.3915 9.22548 6.24978 13.6649 8.3997 6.6137 numMergedOcc 0
12 mol 8 unq 2 iso 0 dist 9.66439 7.96511 7.3915 11.1937 8.3997 13.6649 numMergedOcc 0
13 mol 8 unq 2 iso 1 dist 7.3915 7.96511 9.66439 13.6649 8.3997 11.1937 numMergedOcc 0
14 mol 13 unq 0 iso 0 dist 5.78148 5.94592 6.26071 14.0479 8.81649 10.9117 numMergedOcc 0
15 mol 13 unq 0 iso 1 dist 6.26071 5.94592 5.78148 10.9117 8.81649 14.0479 numMergedOcc 0
16 mol 13 unq 1 iso 0 dist 5.78148 10.8906 8.43325 14.0479 8.81649 7.43378 numMergedOcc 0
17 mol 13 unq 1 iso 1 dist 8.43325 10.8906 5.78148 7.43378 8.81649 14.0479 numMergedOcc 0
18 mol 13 unq 1 iso 0 dist 6.26071 5.43688 8.43325 10.9117 8.81649 7.43378 numMergedOcc 0
19 mol 13 unq 1 iso 1 dist 8.43325 5.43688 6.26071 7.43378 8.81649 10.9117 numMergedOcc 0
20 mol 70 unq 0 iso 0 dist 9.31969 5.22626 6.54023 9.90552 9.72349 5.31426 numMergedOcc 0
21 mol 70 unq 0 iso 1 dist 6.54023 5.22626 9.31969 5.31426 9.72349 9.90552 numMergedOcc 0
22 mol 94 unq 0 iso 0 dist 8.16733 7.49897 9.97569 4.47969 7.55497 11.165 numMergedOcc 0
23 mol 94 unq 0 iso 1 dist 9.97569 7.49897 8.16733 11.165 7.55497 4.47969 numMergedOcc 0
24 mol 98 unq 0 iso 0 dist 5.88354 4.50554 7.89665 5.68803 8.12456 8.28823 numMergedOcc 0
25 mol 98 unq 0 iso 1 dist 7.89665 4.50554 5.88354 8.28823 8.12456 5.68803 numMergedOcc 0
26 mol 98 unq 1 iso 0 dist 5.88354 7.40461 5.39354 5.68803 8.12456 5.8011 numMergedOcc 0
27 mol 98 unq 1 iso 1 dist 5.39354 7.40461 5.88354 5.8011 8.12456 5.68803 numMergedOcc 0
28 mol 98 unq 2 iso 0 dist 5.88354 7.72877 5.74854 5.68803 8.12456 5.68885 numMergedOcc 0
29 mol 98 unq 2 iso 1 dist 5.74854 7.72877 5.88354 5.68885 8.12456 5.68803 numMergedOcc 0
30 mol 98 unq 3 iso 0 dist 5.88354 10.51 8.76566 5.68803 8.12456 11.4897 numMergedOcc 0
31 mol 98 unq 3 iso 1 dist 8.76566 10.51 5.88354 11.4897 8.12456 5.68803 numMergedOcc 0
32 mol 98 unq 4 iso 0 dist 5.88354 13.5683 8.8368 5.68803 8.12456 14.0498 numMergedOcc 0
33 mol 98 unq 4 iso 1 dist 8.8368 13.5683 5.88354 14.0498 8.12456 5.68803 numMergedOcc 0
34 mol 98 unq 1 iso 0 dist 7.89665 8.49023 5.39354 8.28823 8.12456 5.8011 numMergedOcc 0
35 mol 98 unq 1 iso 1 dist 5.39354 8.49023 7.89665 5.8011 8.12456 8.28823 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 7.89665 11.0242 5.74854 8.28823 8.12456 5.68885 numMergedOcc 0
37 mol 98 unq 2 iso 1 dist 5.74854 11.0242 7.89665 5.68885 8.12456 8.28823 numMergedOcc 0
38 mol 98 unq 3 iso 0 dist 7.89665 8.16331 8.76566 8.28823 8.12456 11.4897 numMergedOcc 0
39 mol 98 unq 3 iso 1 dist 8.76566 8.16331 7.89665 11.4897 8.12456 8.28823 numMergedOcc 0
40 mol 98 unq 4 iso 0 dist 7.89665 13.0697 8.8368 8.28823 8.12456 14.0498 numMergedOcc 0
41 mol 98 unq 4 iso 1 dist 8.8368 13.0697 7.89665 14.0498 8.12456 8.28823 numMergedOcc 0
42 mol 98 unq 2 iso 0 dist 5.39354 5.09649 5.74854 5.8011 8.12456 5.68885 numMergedOcc 0
43 mol 98 unq 2 iso 1 dist 5.74854 5.09649 5.39354 5.68885 8.12456 5.8011 numMergedOcc 0
44 mol 98 unq 3 iso 0 dist 5.39354 7.17023 8.76566 5.8011 8.12456 11.4897 numMergedOcc 0
45 mol 98 unq 3 iso 1 dist 8.76566 7.17023 5.39354 11.4897 8.12456 5.8011 numMergedOcc 0
46 mol 98 unq 4 iso 0 dist 5.39354 8.31884 8.8368 5.8011 8.12456 14.0498 numMergedOcc 0
47 mol 98 unq 4 iso 1 dist 8.8368 8.31884 5.39354 14.0498 8.12456 5.8011 numMergedOcc 0
48 mol 98 unq 3 iso 0 dist 5.74854 11.9511 8.76566 5.68885 8.12456 11.4897 numMergedOcc 0
49 mol 98 unq 3 iso 1 dist 8.76566 11.9511 5.74854 11.4897 8.12456 5.68885 numMergedOcc 0
50 mol 98 unq 4 iso 0 dist 5.74854 11.569 8.8368 5.68885 8.12456 14.0498 numMergedOcc 0
51 mol 98 unq 4 iso 1 dist 8.8368 11.569 5.74854 14.0498 8.12456 5.68885 numMergedOcc 0
52 mol 98 unq 4 iso 0 dist 8.76566 6.66172 8.8368 11.4897 8.12456 14.0498 numMergedOcc 0
53 mol 98 unq 4 iso 1 dist 8.8368 6.66172 8.76566 14.0498 8.12456 11.4897 numMergedOcc 0
54 mol 204 unq 0 iso 0 dist 8.0144 11.117 7.80841 5.37945 5.38027 7.39832 numMergedOcc 0
55 mol 204 unq 0 iso 1 dist 7.80841 11.117 8.0144 7.39832 5.38027 5.37945 numMergedOcc 0
56 mol 207 unq 0 iso 0 dist 8.32218 11.0921 7.96797 5.16403 7.28811 6.90153 numMergedOcc 0
57 mol 207 unq 0 iso 1 dist 7.96797 11.0921 8.32218 6.90153 7.28811 5.16403 numMergedOcc 0
58 mol 229 unq 0 iso 0 dist 8.92743 6.94172 8.08082 5.31837 4.96527 5.64514 numMergedOcc 0
59 mol 229 unq 0 iso 1 dist 8.08082 6.94172 8.92743 5.64514 4.96527 5.31837 numMergedOcc 0
60 mol 229 unq 1 iso 0 dist 8.92743 7.0298 5.77318 5.31837 4.96527 6.39663 numMergedOcc 0
61 mol 229 unq 1 iso 1 dist 5.77318 7.0298 8.92743 6.39663 4.96527 5.31837 numMergedOcc 0
62 mol 229 unq 2 iso 0 dist 8.92743 15.7694 8.19603 5.31837 4.96527 11.7737 numMergedOcc 0
63 mol 229 unq 2 iso 1 dist 8.19603 15.7694 8.92743 11.7737 4.96527 5.31837 numMergedOcc 0
64 mol 229 unq 1 iso 0 dist 8.08082 5.5729 5.77318 5.64514 4.96527 6.39663 numMergedOcc 0
65 mol 229 unq 1 iso 1 dist 5.77318 5.5729 8.08082 6.39663 4.96527 5.64514 numMergedOcc 0
66 mol 229 unq 2 iso 0 dist 8.08082 11.3041 8.19603 5.64514 4.96527 11.7737 numMergedOcc 0
67 mol 229 unq 2 iso 1 dist 8.19603 11.3041 8.08082 11.7737 4.96527 5.64514 numMergedOcc 0
68 mol 229 unq 2 iso 0 dist 5.77318 9.96077 8.19603 6.39663 4.96527 11.7737 numMergedOcc 0
69 mol 229 unq 2 iso 1 dist 8.19603 9.96077 5.77318 11.7737 4.96527 6.39663 numMergedOcc 0
70 mol 235 unq 0 iso 0 dist 6.39158 12.1984 7.75722 9.82715 8.44085 8.64305 numMergedOcc 0
71 mol 235 unq 0 iso 1 dist 7.75722 12.1984 6.39158 8.64305 8.44085 9.82715 numMergedOcc 0
72 mol 237 unq 0 iso 0 dist 9.4811 7.94444 6.50471 11.4517 6.6655 5.16634 numMergedOcc 0
73 mol 237 unq 0 iso 1 dist 6.50471 7.94444 9.4811 5.16634 6.6655 11.4517 numMergedOcc 0
74 mol 264 unq 0 iso 0 dist 7.52281 8.96144 6.42588 12.1058 9.15844 7.76042 numMergedOcc 0
75 mol 264 unq 0 iso 1 dist 6.42588 8.96144 7.52281 7.76042 9.15844 12.1058 numMergedOcc 0
76 mol 264 unq 1 iso 0 dist 6.04162 4.92077 6.14323 8.59461 6.74637 11.697 numMergedOcc 0
77 mol 264 unq 1 iso 1 dist 6.14323 4.92077 6.04162 11.697 6.74637 8.59461 numMergedOcc 0
