0 mol 20 unq 0 iso 0 dist 8.93826 5.6647 4.36087 11.8707 3.39356 7.09639 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.17695 4.76485 4.36087 9.33207 3.39356 7.09639 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 9.33207 4.76485 7.09639 7.17695 3.39356 4.36087 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 8.18214 6.4113 5.64092 14.5952 12.8321 8.71074 numMergedOcc 0
4 mol 79 unq 0 iso 0 dist 7.06029 6.35003 4.78333 8.97789 5.63083 4.74254 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 9.94528 6.51558 5.35861 13.5083 5.72008 8.61641 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 8.94777 9.07479 5.35861 12.8722 5.72008 8.61641 numMergedOcc 0
7 mol 83 unq 2 iso 0 dist 9.47551 5.46512 5.35861 10.8332 5.72008 8.61641 numMergedOcc 0
8 mol 93 unq 0 iso 0 dist 5.10693 3.91263 6.67678 6.58814 2.81832 7.24956 numMergedOcc 0
9 mol 93 unq 1 iso 0 dist 5.10693 3.91263 6.67678 6.13459 10.7776 8.28591 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 5.10693 3.91263 6.67678 7.54391 10.4844 9.40687 numMergedOcc 0
11 mol 93 unq 3 iso 0 dist 6.58814 3.91263 7.24956 5.10693 2.81832 6.67678 numMergedOcc 0
12 mol 93 unq 4 iso 0 dist 6.58814 3.91263 7.24956 6.13459 11.7564 8.28591 numMergedOcc 0
13 mol 93 unq 5 iso 0 dist 6.58814 3.91263 7.24956 7.54391 10.3262 9.40687 numMergedOcc 0
14 mol 93 unq 6 iso 0 dist 6.13459 3.91263 8.28591 5.10693 10.7776 6.67678 numMergedOcc 0
15 mol 93 unq 7 iso 0 dist 6.13459 3.91263 8.28591 6.58814 11.7564 7.24956 numMergedOcc 0
16 mol 93 unq 8 iso 0 dist 6.13459 3.91263 8.28591 7.54391 5.02964 9.40687 numMergedOcc 0
17 mol 93 unq 9 iso 0 dist 6.13459 5.59024 5.35008 7.54391 5.02964 8.84576 numMergedOcc 0
18 mol 93 unq 10 iso 0 dist 6.13459 12.9872 8.30921 7.54391 5.02964 7.39732 numMergedOcc 0
19 mol 93 unq 11 iso 0 dist 6.13459 12.9872 8.30921 11.8972 8.84051 9.67744 numMergedOcc 0
20 mol 93 unq 12 iso 0 dist 7.54391 3.91263 9.40687 5.10693 10.4844 6.67678 numMergedOcc 0
21 mol 93 unq 13 iso 0 dist 7.54391 3.91263 9.40687 6.58814 10.3262 7.24956 numMergedOcc 0
22 mol 93 unq 14 iso 0 dist 7.54391 3.91263 9.40687 6.13459 5.02964 8.28591 numMergedOcc 0
23 mol 93 unq 15 iso 0 dist 7.54391 5.59024 8.84576 6.13459 5.02964 5.35008 numMergedOcc 0
24 mol 93 unq 16 iso 0 dist 7.54391 12.9872 7.39732 6.13459 5.02964 8.30921 numMergedOcc 0
25 mol 93 unq 17 iso 0 dist 7.54391 12.9872 7.39732 11.8972 5.30633 9.67744 numMergedOcc 0
26 mol 113 unq 0 iso 0 dist 9.86767 7.09333 4.30875 12.94 9.78508 8.65807 numMergedOcc 0
27 mol 168 unq 0 iso 0 dist 6.48066 9.43003 7.0961 11.6064 5.29906 8.26768 numMergedOcc 0
28 mol 168 unq 1 iso 0 dist 8.47543 6.97182 8.26768 10.4746 5.29906 7.0961 numMergedOcc 0
29 mol 169 unq 0 iso 0 dist 9.58901 7.0638 4.11374 12.3909 9.48187 8.37602 numMergedOcc 0
30 mol 169 unq 1 iso 0 dist 7.50458 6.22697 7.65903 5.79554 5.23644 5.97653 numMergedOcc 0
31 mol 169 unq 2 iso 0 dist 7.50458 6.22697 7.65903 4.22003 7.52063 7.75523 numMergedOcc 0
32 mol 169 unq 3 iso 0 dist 5.79554 6.22697 5.97653 7.50458 5.23644 7.65903 numMergedOcc 0
33 mol 169 unq 4 iso 0 dist 5.79554 6.22697 5.97653 4.22003 3.74306 7.75523 numMergedOcc 0
34 mol 169 unq 5 iso 0 dist 4.22003 6.22697 7.75523 7.50458 7.52063 7.65903 numMergedOcc 0
35 mol 169 unq 6 iso 0 dist 4.22003 6.22697 7.75523 5.79554 3.74306 5.97653 numMergedOcc 0
36 mol 186 unq 0 iso 0 dist 6.99587 3.6848 9.17458 4.37577 3.09727 7.36794 numMergedOcc 0
37 mol 186 unq 1 iso 0 dist 6.99587 5.33968 6.94594 4.37577 3.09727 5.81881 numMergedOcc 0
38 mol 186 unq 2 iso 0 dist 4.37577 3.6848 7.36794 6.99587 3.09727 9.17458 numMergedOcc 0
39 mol 186 unq 3 iso 0 dist 4.37577 5.33968 5.81881 6.99587 3.09727 6.94594 numMergedOcc 0
40 mol 204 unq 0 iso 0 dist 9.12524 9.69119 8.23717 11.443 2.95898 7.98864 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 8.25174 7.54616 7.4185 14.3507 13.0936 7.88986 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 9.16671 3.69062 7.4185 10.0133 13.0936 7.88986 numMergedOcc 0
43 mol 266 unq 0 iso 0 dist 9.35293 10.858 8.20376 17.942 11.938 7.72861 numMergedOcc 0
44 mol 266 unq 1 iso 0 dist 7.93375 7.54309 8.20376 14.6863 11.938 7.72861 numMergedOcc 0
