0 mol 4 unq 0 iso 0 dist 9.80438 14.6895 8.93278 3.25279 8.68164 12.4627 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 9.80438 3.25279 8.68164 14.6895 8.93278 12.4627 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 8.93826 9.42081 7.99756 5.6647 4.36087 5.28474 numMergedOcc 0
3 mol 20 unq 0 iso 1 dist 8.93826 5.6647 4.36087 9.42081 7.99756 5.28474 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 7.17695 9.45728 7.99756 4.76485 4.36087 5.28474 numMergedOcc 0
5 mol 20 unq 1 iso 1 dist 7.17695 4.76485 4.36087 9.45728 7.99756 5.28474 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 6.73466 3.44873 9.38837 10.3854 9.80913 10.208 numMergedOcc 0
7 mol 78 unq 0 iso 1 dist 6.73466 10.3854 9.80913 3.44873 9.38837 10.208 numMergedOcc 0
8 mol 79 unq 0 iso 0 dist 7.06029 10.0025 9.04293 6.35003 4.78333 6.48468 numMergedOcc 0
9 mol 79 unq 0 iso 1 dist 7.06029 6.35003 4.78333 10.0025 9.04293 6.48468 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 6.13459 3.91263 8.28591 5.59024 5.35008 5.21654 numMergedOcc 0
11 mol 93 unq 0 iso 1 dist 6.13459 5.59024 5.35008 3.91263 8.28591 5.21654 numMergedOcc 0
12 mol 93 unq 1 iso 0 dist 6.13459 3.91263 8.28591 12.9872 8.30921 13.3531 numMergedOcc 0
13 mol 93 unq 1 iso 1 dist 6.13459 12.9872 8.30921 3.91263 8.28591 13.3531 numMergedOcc 0
14 mol 93 unq 1 iso 0 dist 6.13459 5.59024 5.35008 12.9872 8.30921 10.7398 numMergedOcc 0
15 mol 93 unq 1 iso 1 dist 6.13459 12.9872 8.30921 5.59024 5.35008 10.7398 numMergedOcc 0
16 mol 93 unq 2 iso 0 dist 7.54391 3.91263 9.40687 5.59024 8.84576 5.21654 numMergedOcc 0
17 mol 93 unq 2 iso 1 dist 7.54391 5.59024 8.84576 3.91263 9.40687 5.21654 numMergedOcc 0
18 mol 93 unq 3 iso 0 dist 7.54391 3.91263 9.40687 12.9872 7.39732 13.3531 numMergedOcc 0
19 mol 93 unq 3 iso 1 dist 7.54391 12.9872 7.39732 3.91263 9.40687 13.3531 numMergedOcc 0
20 mol 93 unq 3 iso 0 dist 7.54391 5.59024 8.84576 12.9872 7.39732 10.7398 numMergedOcc 0
21 mol 93 unq 3 iso 1 dist 7.54391 12.9872 7.39732 5.59024 8.84576 10.7398 numMergedOcc 0
22 mol 95 unq 0 iso 0 dist 7.74924 3.60451 4.3439 8.25253 6.05855 6.27231 numMergedOcc 0
23 mol 95 unq 0 iso 1 dist 7.74924 8.25253 6.05855 3.60451 4.3439 6.27231 numMergedOcc 0
24 mol 168 unq 0 iso 0 dist 6.48066 9.43003 7.0961 8.01699 8.21227 13.6611 numMergedOcc 0
25 mol 168 unq 0 iso 1 dist 6.48066 8.01699 8.21227 9.43003 7.0961 13.6611 numMergedOcc 0
26 mol 168 unq 1 iso 0 dist 6.48066 9.43003 7.0961 9.98239 6.53038 12.3632 numMergedOcc 0
27 mol 168 unq 1 iso 1 dist 6.48066 9.98239 6.53038 9.43003 7.0961 12.3632 numMergedOcc 0
28 mol 168 unq 1 iso 0 dist 6.48066 8.01699 8.21227 9.98239 6.53038 11.4215 numMergedOcc 0
29 mol 168 unq 1 iso 1 dist 6.48066 9.98239 6.53038 8.01699 8.21227 11.4215 numMergedOcc 0
30 mol 169 unq 0 iso 0 dist 7.33643 14.6592 9.06172 14.9735 8.93091 3.71099 numMergedOcc 0
31 mol 169 unq 0 iso 1 dist 7.33643 14.9735 8.93091 14.6592 9.06172 3.71099 numMergedOcc 0
32 mol 186 unq 0 iso 0 dist 6.99587 3.6848 9.17458 5.33968 6.94594 6.09215 numMergedOcc 0
33 mol 186 unq 0 iso 1 dist 6.99587 5.33968 6.94594 3.6848 9.17458 6.09215 numMergedOcc 0
34 mol 186 unq 1 iso 0 dist 4.37577 3.6848 7.36794 5.33968 5.81881 6.09215 numMergedOcc 0
35 mol 186 unq 1 iso 1 dist 4.37577 5.33968 5.81881 3.6848 7.36794 6.09215 numMergedOcc 0
36 mol 254 unq 0 iso 0 dist 7.89302 5.06168 5.6417 6.25965 7.42831 3.42946 numMergedOcc 0
37 mol 254 unq 0 iso 1 dist 7.89302 6.25965 7.42831 5.06168 5.6417 3.42946 numMergedOcc 0
38 mol 260 unq 0 iso 0 dist 9.46576 17.1277 9.73217 6.73886 7.49606 17.1683 numMergedOcc 0
39 mol 260 unq 0 iso 1 dist 9.46576 6.73886 7.49606 17.1277 9.73217 17.1683 numMergedOcc 0
40 mol 260 unq 1 iso 0 dist 9.46576 17.1277 9.73217 11.1586 8.06377 16.9969 numMergedOcc 0
41 mol 260 unq 1 iso 1 dist 9.46576 11.1586 8.06377 17.1277 9.73217 16.9969 numMergedOcc 0
42 mol 260 unq 1 iso 0 dist 9.46576 6.73886 7.49606 11.1586 8.06377 5.12515 numMergedOcc 0
43 mol 260 unq 1 iso 1 dist 9.46576 11.1586 8.06377 6.73886 7.49606 5.12515 numMergedOcc 0
44 mol 287 unq 0 iso 0 dist 8.71974 10.8556 8.06767 10.4719 9.91087 13.523 numMergedOcc 0
45 mol 287 unq 0 iso 1 dist 8.71974 10.4719 9.91087 10.8556 8.06767 13.523 numMergedOcc 0
46 mol 287 unq 1 iso 0 dist 8.82649 10.8866 8.06767 6.15828 9.91087 13.523 numMergedOcc 0
47 mol 287 unq 1 iso 1 dist 8.82649 6.15828 9.91087 10.8866 8.06767 13.523 numMergedOcc 0
48 mol 287 unq 2 iso 0 dist 7.35776 7.54288 8.06767 13.3294 9.91087 13.523 numMergedOcc 0
49 mol 287 unq 2 iso 1 dist 7.35776 13.3294 9.91087 7.54288 8.06767 13.523 numMergedOcc 0
50 mol 288 unq 0 iso 0 dist 8.71974 10.8556 8.06767 10.4719 9.91087 13.523 numMergedOcc 0
51 mol 288 unq 0 iso 1 dist 8.71974 10.4719 9.91087 10.8556 8.06767 13.523 numMergedOcc 0
52 mol 288 unq 1 iso 0 dist 8.82649 10.8866 8.06767 6.15828 9.91087 13.523 numMergedOcc 0
53 mol 288 unq 1 iso 1 dist 8.82649 6.15828 9.91087 10.8866 8.06767 13.523 numMergedOcc 0
54 mol 288 unq 2 iso 0 dist 7.35776 7.54288 8.06767 13.3294 9.91087 13.523 numMergedOcc 0
55 mol 288 unq 2 iso 1 dist 7.35776 13.3294 9.91087 7.54288 8.06767 13.523 numMergedOcc 0
56 mol 289 unq 0 iso 0 dist 8.71974 10.8556 8.06767 10.4719 9.91087 13.523 numMergedOcc 0
57 mol 289 unq 0 iso 1 dist 8.71974 10.4719 9.91087 10.8556 8.06767 13.523 numMergedOcc 0
58 mol 289 unq 1 iso 0 dist 8.82649 10.8866 8.06767 6.15828 9.91087 13.523 numMergedOcc 0
59 mol 289 unq 1 iso 1 dist 8.82649 6.15828 9.91087 10.8866 8.06767 13.523 numMergedOcc 0
60 mol 289 unq 2 iso 0 dist 7.35776 7.54288 8.06767 13.3294 9.91087 13.523 numMergedOcc 0
61 mol 289 unq 2 iso 1 dist 7.35776 13.3294 9.91087 7.54288 8.06767 13.523 numMergedOcc 0
