0 mol 9 unq 0 iso 0 dist 8.01055 8.61976 4.35219 11.8626 6.89519 10.3066 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.01055 8.61976 4.35219 13.1565 5.24341 7.67661 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 8.61976 8.01055 4.35219 13.1565 7.67661 5.24341 numMergedOcc 0
3 mol 14 unq 0 iso 0 dist 7.59564 9.42387 8.47263 6.24146 7.73217 13.9071 numMergedOcc 0
4 mol 14 unq 1 iso 0 dist 7.59564 8.10957 5.82278 6.24146 7.73217 5.99703 numMergedOcc 0
5 mol 14 unq 2 iso 0 dist 8.10957 9.42387 11.5533 4.81121 8.82819 13.681 numMergedOcc 0
6 mol 14 unq 3 iso 0 dist 8.10957 9.42387 11.5533 7.95811 5.36937 14.8819 numMergedOcc 0
7 mol 14 unq 4 iso 0 dist 8.10957 9.42387 11.5533 6.24146 5.99703 13.9071 numMergedOcc 0
8 mol 14 unq 5 iso 0 dist 8.10957 7.59564 5.82278 4.81121 8.82819 10.9341 numMergedOcc 0
9 mol 14 unq 6 iso 0 dist 8.10957 7.59564 5.82278 7.95811 5.36937 9.95397 numMergedOcc 0
10 mol 14 unq 7 iso 0 dist 8.10957 7.59564 5.82278 6.24146 5.99703 7.73217 numMergedOcc 0
11 mol 33 unq 0 iso 0 dist 7.44828 8.04019 14.7604 5.7655 9.79966 11.7246 numMergedOcc 0
12 mol 33 unq 1 iso 0 dist 7.44828 8.04019 14.7604 5.62472 5.52992 12.0359 numMergedOcc 0
13 mol 55 unq 0 iso 0 dist 5.24742 9.24055 5.25318 7.38126 6.7877 8.02261 numMergedOcc 0
14 mol 55 unq 1 iso 0 dist 9.29433 9.66898 5.25318 10.7639 6.7877 8.02261 numMergedOcc 0
15 mol 55 unq 2 iso 0 dist 9.24055 5.24742 5.25318 7.38126 8.02261 6.7877 numMergedOcc 0
16 mol 55 unq 3 iso 0 dist 9.66898 9.29433 5.25318 10.7639 8.02261 6.7877 numMergedOcc 0
17 mol 64 unq 0 iso 0 dist 8.52643 9.75299 4.78627 15.4665 8.75668 12.8796 numMergedOcc 0
18 mol 64 unq 1 iso 0 dist 8.52643 9.75299 4.78627 9.48441 9.64871 13.3367 numMergedOcc 0
19 mol 64 unq 2 iso 0 dist 8.52643 9.75299 4.78627 4.76091 9.95118 12.2237 numMergedOcc 0
20 mol 64 unq 3 iso 0 dist 5.41357 9.30042 4.78627 9.95527 8.75668 12.8796 numMergedOcc 0
21 mol 64 unq 4 iso 0 dist 5.41357 9.30042 4.78627 6.41829 9.64871 13.3367 numMergedOcc 0
22 mol 64 unq 5 iso 0 dist 5.41357 9.30042 4.78627 6.13923 9.95118 12.2237 numMergedOcc 0
23 mol 73 unq 0 iso 0 dist 8.07498 7.46419 4.84196 4.97477 9.04731 10.0496 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 8.07498 7.46419 4.84196 16.0506 9.85884 13.0808 numMergedOcc 0
25 mol 73 unq 2 iso 0 dist 8.07498 7.18693 6.75212 4.97477 9.04731 11.3062 numMergedOcc 0
26 mol 73 unq 3 iso 0 dist 8.07498 7.18693 6.75212 16.0506 9.85884 16.4176 numMergedOcc 0
27 mol 73 unq 4 iso 0 dist 7.48556 9.47045 8.96403 7.52996 6.4104 12.0834 numMergedOcc 0
28 mol 73 unq 5 iso 0 dist 7.48556 8.68218 7.99821 7.52996 6.4104 12.7946 numMergedOcc 0
29 mol 73 unq 6 iso 0 dist 9.47045 7.48556 8.96403 10.5755 9.04731 15.3439 numMergedOcc 0
30 mol 73 unq 7 iso 0 dist 9.47045 7.48556 8.96403 9.80866 9.85884 10.1769 numMergedOcc 0
31 mol 73 unq 8 iso 0 dist 9.47045 8.68218 4.84196 10.5755 9.04731 10.0496 numMergedOcc 0
32 mol 73 unq 9 iso 0 dist 9.47045 8.68218 4.84196 9.80866 9.85884 13.0808 numMergedOcc 0
33 mol 75 unq 0 iso 0 dist 8.25597 4.76466 4.41154 5.56574 9.20448 6.96759 numMergedOcc 0
34 mol 75 unq 1 iso 0 dist 8.25597 8.67172 4.7808 5.56574 9.20448 6.97318 numMergedOcc 0
35 mol 75 unq 2 iso 0 dist 4.76466 8.25597 4.41154 5.56574 6.96759 9.20448 numMergedOcc 0
36 mol 75 unq 3 iso 0 dist 4.76466 8.67172 5.23438 5.56574 6.96759 6.97318 numMergedOcc 0
37 mol 75 unq 4 iso 0 dist 8.67172 8.25597 4.7808 5.56574 6.97318 9.20448 numMergedOcc 0
38 mol 75 unq 5 iso 0 dist 8.67172 4.76466 5.23438 5.56574 6.97318 6.96759 numMergedOcc 0
39 mol 140 unq 0 iso 0 dist 7.77669 9.67726 4.18932 13.7353 8.92292 11.8921 numMergedOcc 0
40 mol 140 unq 1 iso 0 dist 7.77669 9.67726 4.18932 12.5321 8.67876 12.3541 numMergedOcc 0
41 mol 140 unq 2 iso 0 dist 7.77669 9.67726 4.18932 11.9489 9.11235 11.3469 numMergedOcc 0
42 mol 140 unq 3 iso 0 dist 7.77669 9.67726 4.18932 4.95731 8.15118 11.6295 numMergedOcc 0
43 mol 181 unq 0 iso 0 dist 8.92801 9.40718 12.0946 4.681 4.71906 10.9766 numMergedOcc 0
44 mol 187 unq 0 iso 0 dist 5.58167 8.0501 11.6883 4.98423 6.82787 12.7503 numMergedOcc 0
45 mol 204 unq 0 iso 0 dist 6.20044 8.41232 6.2357 6.12296 9.24822 13.3563 numMergedOcc 0
46 mol 220 unq 0 iso 0 dist 8.57174 9.89039 15.5559 9.18635 9.9693 18.8593 numMergedOcc 0
47 mol 220 unq 1 iso 0 dist 5.25149 8.6368 11.0459 6.19375 5.39218 14.3841 numMergedOcc 0
48 mol 224 unq 0 iso 0 dist 8.8113 7.11741 6.8368 16.607 8.80858 11.1131 numMergedOcc 0
49 mol 224 unq 1 iso 0 dist 7.31608 7.96226 5.19836 11.0252 7.49783 10.6915 numMergedOcc 0
50 mol 239 unq 0 iso 0 dist 9.01071 8.86185 15.9311 8.70119 6.29774 14.9529 numMergedOcc 0
51 mol 239 unq 1 iso 0 dist 9.01071 8.86185 15.9311 10.1972 9.28258 18.3241 numMergedOcc 0
52 mol 243 unq 0 iso 0 dist 4.64178 8.78924 4.56434 5.94295 9.35819 13.4735 numMergedOcc 0
53 mol 243 unq 1 iso 0 dist 9.16988 7.70472 4.56434 16.7683 9.35819 13.4735 numMergedOcc 0
54 mol 244 unq 0 iso 0 dist 7.79787 7.43391 12.5222 10.5547 9.21656 17.8964 numMergedOcc 0
55 mol 258 unq 0 iso 0 dist 8.10903 7.25618 5.31174 9.78068 9.04358 10.0455 numMergedOcc 0
