0 mol 18 unq 0 iso 0 dist 6.09533 8.02671 3.06597 3.91445 9.46349 11.743 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 7.17695 9.33207 3.39356 9.45728 7.99756 9.86276 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 7.17695 9.33207 3.39356 4.76485 4.36087 7.09639 numMergedOcc 0
3 mol 20 unq 2 iso 0 dist 9.33207 7.17695 3.39356 4.76485 7.09639 4.36087 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 7.25138 8.7531 14.2375 5.56988 7.16844 12.3772 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 5.10693 6.58814 2.81832 3.91263 6.67678 7.24956 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 5.10693 6.13459 10.7776 3.91263 6.67678 8.28591 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 5.10693 7.54391 10.4844 3.91263 6.67678 9.40687 numMergedOcc 0
8 mol 93 unq 3 iso 0 dist 6.58814 5.10693 2.81832 3.91263 7.24956 6.67678 numMergedOcc 0
9 mol 93 unq 4 iso 0 dist 6.58814 6.13459 11.7564 3.91263 7.24956 8.28591 numMergedOcc 0
10 mol 93 unq 5 iso 0 dist 6.58814 7.54391 10.3262 3.91263 7.24956 9.40687 numMergedOcc 0
11 mol 93 unq 6 iso 0 dist 6.13459 5.10693 10.7776 3.91263 8.28591 6.67678 numMergedOcc 0
12 mol 93 unq 7 iso 0 dist 6.13459 5.10693 10.7776 5.59024 5.35008 10.4903 numMergedOcc 0
13 mol 93 unq 8 iso 0 dist 6.13459 5.10693 10.7776 12.9872 8.30921 17.0013 numMergedOcc 0
14 mol 93 unq 9 iso 0 dist 6.13459 6.58814 11.7564 3.91263 8.28591 7.24956 numMergedOcc 0
15 mol 93 unq 10 iso 0 dist 6.13459 6.58814 11.7564 5.59024 5.35008 11.5899 numMergedOcc 0
16 mol 93 unq 11 iso 0 dist 6.13459 6.58814 11.7564 12.9872 8.30921 16.7505 numMergedOcc 0
17 mol 93 unq 12 iso 0 dist 6.13459 7.54391 5.02964 3.91263 8.28591 9.40687 numMergedOcc 0
18 mol 93 unq 13 iso 0 dist 6.13459 7.54391 5.02964 5.59024 5.35008 8.84576 numMergedOcc 0
19 mol 93 unq 14 iso 0 dist 6.13459 7.54391 5.02964 12.9872 8.30921 7.39732 numMergedOcc 0
20 mol 93 unq 15 iso 0 dist 7.54391 5.10693 10.4844 3.91263 9.40687 6.67678 numMergedOcc 0
21 mol 93 unq 16 iso 0 dist 7.54391 5.10693 10.4844 5.59024 8.84576 10.4903 numMergedOcc 0
22 mol 93 unq 17 iso 0 dist 7.54391 5.10693 10.4844 12.9872 7.39732 17.0013 numMergedOcc 0
23 mol 93 unq 18 iso 0 dist 7.54391 6.58814 10.3262 3.91263 9.40687 7.24956 numMergedOcc 0
24 mol 93 unq 19 iso 0 dist 7.54391 6.58814 10.3262 5.59024 8.84576 11.5899 numMergedOcc 0
25 mol 93 unq 20 iso 0 dist 7.54391 6.58814 10.3262 12.9872 7.39732 16.7505 numMergedOcc 0
26 mol 93 unq 21 iso 0 dist 7.54391 6.13459 5.02964 3.91263 9.40687 8.28591 numMergedOcc 0
27 mol 93 unq 22 iso 0 dist 7.54391 6.13459 5.02964 5.59024 8.84576 5.35008 numMergedOcc 0
28 mol 93 unq 23 iso 0 dist 7.54391 6.13459 5.02964 12.9872 7.39732 8.30921 numMergedOcc 0
29 mol 169 unq 0 iso 0 dist 7.50458 5.79554 5.23644 6.22697 7.65903 5.97653 numMergedOcc 0
30 mol 169 unq 1 iso 0 dist 7.50458 4.22003 7.52063 6.22697 7.65903 7.75523 numMergedOcc 0
31 mol 169 unq 2 iso 0 dist 5.79554 7.50458 5.23644 6.22697 5.97653 7.65903 numMergedOcc 0
32 mol 169 unq 3 iso 0 dist 5.79554 4.22003 3.74306 6.22697 5.97653 7.75523 numMergedOcc 0
33 mol 169 unq 4 iso 0 dist 4.22003 7.50458 7.52063 6.22697 7.75523 7.65903 numMergedOcc 0
34 mol 169 unq 5 iso 0 dist 4.22003 5.79554 3.74306 6.22697 7.75523 5.97653 numMergedOcc 0
35 mol 186 unq 0 iso 0 dist 6.99587 4.37577 3.09727 3.6848 9.17458 7.36794 numMergedOcc 0
36 mol 186 unq 1 iso 0 dist 6.99587 4.37577 3.09727 5.33968 6.94594 5.81881 numMergedOcc 0
37 mol 186 unq 2 iso 0 dist 4.37577 6.99587 3.09727 3.6848 7.36794 9.17458 numMergedOcc 0
38 mol 186 unq 3 iso 0 dist 4.37577 6.99587 3.09727 5.33968 5.81881 6.94594 numMergedOcc 0
39 mol 260 unq 0 iso 0 dist 7.88108 9.46576 9.93488 9.0549 8.51564 11.8771 numMergedOcc 0
40 mol 260 unq 1 iso 0 dist 9.46576 7.88108 9.93488 17.1277 9.73217 14.3252 numMergedOcc 0
41 mol 260 unq 2 iso 0 dist 9.46576 7.88108 9.93488 6.73886 7.49606 11.5762 numMergedOcc 0
42 mol 260 unq 3 iso 0 dist 9.46576 7.88108 9.93488 11.1586 8.06377 15.6295 numMergedOcc 0
43 mol 287 unq 0 iso 0 dist 7.35776 9.59195 4.68872 7.54288 8.06767 11.2304 numMergedOcc 0
44 mol 287 unq 1 iso 0 dist 7.35776 9.59195 4.68872 13.3294 9.91087 13.8971 numMergedOcc 0
45 mol 288 unq 0 iso 0 dist 7.35776 9.59195 4.68872 7.54288 8.06767 11.2304 numMergedOcc 0
46 mol 288 unq 1 iso 0 dist 7.35776 9.59195 4.68872 13.3294 9.91087 13.8971 numMergedOcc 0
47 mol 289 unq 0 iso 0 dist 7.35776 9.59195 4.68872 7.54288 8.06767 11.2304 numMergedOcc 0
48 mol 289 unq 1 iso 0 dist 7.35776 9.59195 4.68872 13.3294 9.91087 13.8971 numMergedOcc 0
