0 mol 9 unq 0 iso 0 dist 9.47321 7.28164 8.55451 6.24734 5.8245 3.58336 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 9.47321 6.24734 5.8245 7.28164 8.55451 3.58336 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 8.17898 5.37568 6.42835 9.62324 6.57331 6.09368 numMergedOcc 0
3 mol 16 unq 0 iso 1 dist 8.17898 9.62324 6.57331 5.37568 6.42835 6.09368 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.35095 5.06352 6.6219 7.63533 5.68215 10.512 numMergedOcc 0
5 mol 24 unq 0 iso 1 dist 6.35095 7.63533 5.68215 5.06352 6.6219 10.512 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 5.87895 6.87351 8.87744 7.79018 7.27472 3.73215 numMergedOcc 0
7 mol 24 unq 1 iso 1 dist 5.87895 7.79018 7.27472 6.87351 8.87744 3.73215 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 8.23292 11.7739 7.52933 13.0315 6.55597 6.53015 numMergedOcc 0
9 mol 25 unq 0 iso 1 dist 8.23292 13.0315 6.55597 11.7739 7.52933 6.53015 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 8.23292 11.7739 7.52933 9.6847 9.71956 11.8984 numMergedOcc 0
11 mol 25 unq 1 iso 1 dist 8.23292 9.6847 9.71956 11.7739 7.52933 11.8984 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 8.23292 11.7739 7.52933 9.50063 7.07751 8.64476 numMergedOcc 0
13 mol 25 unq 2 iso 1 dist 8.23292 9.50063 7.07751 11.7739 7.52933 8.64476 numMergedOcc 0
14 mol 25 unq 3 iso 0 dist 8.23292 11.7739 7.52933 9.6251 8.23761 4.64241 numMergedOcc 0
15 mol 25 unq 3 iso 1 dist 8.23292 9.6251 8.23761 11.7739 7.52933 4.64241 numMergedOcc 0
16 mol 25 unq 4 iso 0 dist 8.23292 11.7739 7.52933 10.985 9.49421 16.0628 numMergedOcc 0
17 mol 25 unq 4 iso 1 dist 8.23292 10.985 9.49421 11.7739 7.52933 16.0628 numMergedOcc 0
18 mol 25 unq 1 iso 0 dist 8.23292 13.0315 6.55597 9.6847 9.71956 9.19736 numMergedOcc 0
19 mol 25 unq 1 iso 1 dist 8.23292 9.6847 9.71956 13.0315 6.55597 9.19736 numMergedOcc 0
20 mol 25 unq 2 iso 0 dist 8.23292 13.0315 6.55597 9.50063 7.07751 5.78812 numMergedOcc 0
21 mol 25 unq 2 iso 1 dist 8.23292 9.50063 7.07751 13.0315 6.55597 5.78812 numMergedOcc 0
22 mol 25 unq 3 iso 0 dist 8.23292 13.0315 6.55597 9.6251 8.23761 7.36721 numMergedOcc 0
23 mol 25 unq 3 iso 1 dist 8.23292 9.6251 8.23761 13.0315 6.55597 7.36721 numMergedOcc 0
24 mol 25 unq 4 iso 0 dist 8.23292 13.0315 6.55597 10.985 9.49421 12.1732 numMergedOcc 0
25 mol 25 unq 4 iso 1 dist 8.23292 10.985 9.49421 13.0315 6.55597 12.1732 numMergedOcc 0
26 mol 25 unq 2 iso 0 dist 8.23292 9.6847 9.71956 9.50063 7.07751 3.56099 numMergedOcc 0
27 mol 25 unq 2 iso 1 dist 8.23292 9.50063 7.07751 9.6847 9.71956 3.56099 numMergedOcc 0
28 mol 25 unq 3 iso 0 dist 8.23292 9.6847 9.71956 9.6251 8.23761 8.42944 numMergedOcc 0
29 mol 25 unq 3 iso 1 dist 8.23292 9.6251 8.23761 9.6847 9.71956 8.42944 numMergedOcc 0
30 mol 25 unq 4 iso 0 dist 8.23292 9.6847 9.71956 10.985 9.49421 8.99147 numMergedOcc 0
31 mol 25 unq 4 iso 1 dist 8.23292 10.985 9.49421 9.6847 9.71956 8.99147 numMergedOcc 0
32 mol 25 unq 3 iso 0 dist 8.23292 9.50063 7.07751 9.6251 8.23761 5.99526 numMergedOcc 0
33 mol 25 unq 3 iso 1 dist 8.23292 9.6251 8.23761 9.50063 7.07751 5.99526 numMergedOcc 0
34 mol 25 unq 4 iso 0 dist 8.23292 9.50063 7.07751 10.985 9.49421 9.54872 numMergedOcc 0
35 mol 25 unq 4 iso 1 dist 8.23292 10.985 9.49421 9.50063 7.07751 9.54872 numMergedOcc 0
36 mol 25 unq 4 iso 0 dist 8.23292 9.6251 8.23761 10.985 9.49421 14.6175 numMergedOcc 0
37 mol 25 unq 4 iso 1 dist 8.23292 10.985 9.49421 9.6251 8.23761 14.6175 numMergedOcc 0
38 mol 73 unq 0 iso 0 dist 6.30194 10.7557 8.68662 11.1632 7.4369 3.30399 numMergedOcc 0
39 mol 73 unq 0 iso 1 dist 6.30194 11.1632 7.4369 10.7557 8.68662 3.30399 numMergedOcc 0
40 mol 78 unq 0 iso 0 dist 9.99029 14.4224 6.85523 14.5688 5.77326 8.2592 numMergedOcc 0
41 mol 78 unq 0 iso 1 dist 9.99029 14.5688 5.77326 14.4224 6.85523 8.2592 numMergedOcc 0
42 mol 95 unq 0 iso 0 dist 9.40559 12.698 9.3948 12.5563 9.74607 8.00584 numMergedOcc 0
43 mol 95 unq 0 iso 1 dist 9.40559 12.5563 9.74607 12.698 9.3948 8.00584 numMergedOcc 0
44 mol 95 unq 1 iso 0 dist 8.26838 8.32734 8.27883 4.79063 5.75428 6.27231 numMergedOcc 0
45 mol 95 unq 1 iso 1 dist 8.26838 4.79063 5.75428 8.32734 8.27883 6.27231 numMergedOcc 0
46 mol 95 unq 2 iso 0 dist 8.26838 8.32734 8.27883 4.05985 8.57395 11.734 numMergedOcc 0
47 mol 95 unq 2 iso 1 dist 8.26838 4.05985 8.57395 8.32734 8.27883 11.734 numMergedOcc 0
48 mol 95 unq 3 iso 0 dist 8.26838 8.32734 8.27883 12.6917 9.85409 17.4304 numMergedOcc 0
49 mol 95 unq 3 iso 1 dist 8.26838 12.6917 9.85409 8.32734 8.27883 17.4304 numMergedOcc 0
50 mol 95 unq 2 iso 0 dist 8.26838 4.79063 5.75428 4.05985 8.57395 6.95874 numMergedOcc 0
51 mol 95 unq 2 iso 1 dist 8.26838 4.05985 8.57395 4.79063 5.75428 6.95874 numMergedOcc 0
52 mol 95 unq 3 iso 0 dist 8.26838 4.79063 5.75428 12.6917 9.85409 12.3063 numMergedOcc 0
53 mol 95 unq 3 iso 1 dist 8.26838 12.6917 9.85409 4.79063 5.75428 12.3063 numMergedOcc 0
54 mol 95 unq 3 iso 0 dist 8.26838 4.05985 8.57395 12.6917 9.85409 9.43547 numMergedOcc 0
55 mol 95 unq 3 iso 1 dist 8.26838 12.6917 9.85409 4.05985 8.57395 9.43547 numMergedOcc 0
56 mol 109 unq 0 iso 0 dist 8.46734 4.57343 6.29161 11.3914 7.86666 7.49425 numMergedOcc 0
57 mol 109 unq 0 iso 1 dist 8.46734 11.3914 7.86666 4.57343 6.29161 7.49425 numMergedOcc 0
58 mol 112 unq 0 iso 0 dist 8.35164 6.13615 9.02706 4.49971 9.39168 6.38762 numMergedOcc 0
59 mol 112 unq 0 iso 1 dist 8.35164 4.49971 9.39168 6.13615 9.02706 6.38762 numMergedOcc 0
60 mol 112 unq 1 iso 0 dist 9.43616 6.13615 8.47988 4.49971 8.0427 6.38762 numMergedOcc 0
61 mol 112 unq 1 iso 1 dist 9.43616 4.49971 8.0427 6.13615 8.47988 6.38762 numMergedOcc 0
62 mol 134 unq 0 iso 0 dist 5.67862 7.77359 9.33924 10.8891 7.93372 11.4107 numMergedOcc 0
63 mol 134 unq 0 iso 1 dist 5.67862 10.8891 7.93372 7.77359 9.33924 11.4107 numMergedOcc 0
64 mol 143 unq 0 iso 0 dist 7.5984 14.6282 7.36975 7.11802 5.40637 10.1474 numMergedOcc 0
65 mol 143 unq 0 iso 1 dist 7.5984 7.11802 5.40637 14.6282 7.36975 10.1474 numMergedOcc 0
66 mol 162 unq 0 iso 0 dist 9.42819 8.39434 7.37333 4.92282 7.45998 3.77838 numMergedOcc 0
67 mol 162 unq 0 iso 1 dist 9.42819 4.92282 7.45998 8.39434 7.37333 3.77838 numMergedOcc 0
68 mol 222 unq 0 iso 0 dist 7.27481 12.9462 6.74196 9.50604 8.36842 8.10209 numMergedOcc 0
69 mol 222 unq 0 iso 1 dist 7.27481 9.50604 8.36842 12.9462 6.74196 8.10209 numMergedOcc 0
70 mol 222 unq 1 iso 0 dist 7.27481 12.9462 6.74196 9.68195 9.75472 9.49218 numMergedOcc 0
71 mol 222 unq 1 iso 1 dist 7.27481 9.68195 9.75472 12.9462 6.74196 9.49218 numMergedOcc 0
72 mol 222 unq 1 iso 0 dist 7.27481 9.50604 8.36842 9.68195 9.75472 3.53707 numMergedOcc 0
73 mol 222 unq 1 iso 1 dist 7.27481 9.68195 9.75472 9.50604 8.36842 3.53707 numMergedOcc 0
74 mol 223 unq 0 iso 0 dist 9.94212 8.1388 6.42257 14.288 9.33543 12.841 numMergedOcc 0
75 mol 223 unq 0 iso 1 dist 9.94212 14.288 9.33543 8.1388 6.42257 12.841 numMergedOcc 0
