0 mol 7 unq 0 iso 0 dist 8.8576 10.4545 8.41585 6.68629 7.78327 13.5229 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 6.09311 7.49157 8.66248 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.13365 10.5449 6.86014 9.56533 7.73794 6.73521 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 7.34549 4.76147 8.34347 8.82979 7.98005 12.5438 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 7.34549 4.76147 8.34347 3.63999 8.31381 8.39015 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 8.09068 6.30129 8.34347 12.3884 7.98005 12.5438 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 8.09068 6.30129 8.34347 11.7163 8.31381 8.39015 numMergedOcc 0
7 mol 26 unq 4 iso 0 dist 9.72289 5.93227 8.34347 15.7944 7.98005 12.5438 numMergedOcc 0
8 mol 26 unq 5 iso 0 dist 9.72289 5.93227 8.34347 13.5789 8.31381 8.39015 numMergedOcc 0
9 mol 41 unq 0 iso 0 dist 7.07587 11.8001 7.99312 10.1866 9.17982 4.11117 numMergedOcc 0
10 mol 41 unq 1 iso 0 dist 7.07587 11.8001 7.99312 14.808 9.62869 4.77073 numMergedOcc 0
11 mol 41 unq 2 iso 0 dist 7.07587 11.8001 7.99312 6.16399 6.40219 6.69486 numMergedOcc 0
12 mol 41 unq 3 iso 0 dist 7.07587 9.78914 8.2183 10.1866 9.17982 4.81484 numMergedOcc 0
13 mol 41 unq 4 iso 0 dist 7.07587 9.78914 8.2183 14.808 9.62869 7.03449 numMergedOcc 0
14 mol 41 unq 5 iso 0 dist 7.07587 9.78914 8.2183 6.16399 6.40219 7.02983 numMergedOcc 0
15 mol 43 unq 0 iso 0 dist 8.47617 15.1595 8.80331 14.2755 9.02471 12.6657 numMergedOcc 0
16 mol 43 unq 1 iso 0 dist 8.47617 8.14351 6.20293 14.2755 9.02471 14.0654 numMergedOcc 0
17 mol 58 unq 0 iso 0 dist 7.66055 5.76106 6.81627 7.84103 7.4785 4.25144 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 4.31067 9.04817 5.08437 11.3701 7.92856 8.29813 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 4.31067 4.70157 6.48948 11.3701 7.92856 13.2057 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 4.31067 6.21302 6.10456 11.3701 7.92856 12.7473 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 8.29529 7.77295 5.86073 3.7042 7.02367 5.37655 numMergedOcc 0
22 mol 113 unq 1 iso 0 dist 8.29529 7.77295 5.86073 12.8999 9.30832 5.46207 numMergedOcc 0
23 mol 120 unq 0 iso 0 dist 8.20009 10.7527 8.75408 8.24077 6.42623 5.6295 numMergedOcc 0
24 mol 120 unq 1 iso 0 dist 8.20009 10.7527 8.75408 3.79384 8.95899 8.97962 numMergedOcc 0
25 mol 120 unq 2 iso 0 dist 8.20009 5.6257 6.44653 8.24077 6.42623 3.824 numMergedOcc 0
26 mol 120 unq 3 iso 0 dist 8.20009 5.6257 6.44653 3.79384 8.95899 4.96885 numMergedOcc 0
27 mol 120 unq 4 iso 0 dist 8.14799 9.8469 8.75408 5.56137 6.42623 5.6295 numMergedOcc 0
28 mol 120 unq 5 iso 0 dist 8.14799 9.8469 8.75408 6.80121 8.95899 8.97962 numMergedOcc 0
29 mol 120 unq 6 iso 0 dist 8.14799 5.0256 6.44653 5.56137 6.42623 3.824 numMergedOcc 0
30 mol 120 unq 7 iso 0 dist 8.14799 5.0256 6.44653 6.80121 8.95899 4.96885 numMergedOcc 0
31 mol 122 unq 0 iso 0 dist 8.054 9.57532 8.37808 10.2953 4.42563 7.90729 numMergedOcc 0
32 mol 127 unq 0 iso 0 dist 8.09965 8.45411 8.14887 5.12492 5.39356 10.2024 numMergedOcc 0
33 mol 127 unq 1 iso 0 dist 8.09965 8.45411 8.14887 9.6877 9.92746 5.4328 numMergedOcc 0
34 mol 127 unq 2 iso 0 dist 8.09965 11.3174 9.30299 5.12492 5.39356 12.7606 numMergedOcc 0
35 mol 127 unq 3 iso 0 dist 8.09965 11.3174 9.30299 9.6877 9.92746 12.6193 numMergedOcc 0
36 mol 130 unq 0 iso 0 dist 7.94863 7.58865 9.28393 5.17954 5.92733 6.00473 numMergedOcc 0
37 mol 133 unq 0 iso 0 dist 9.05674 4.32516 6.5107 5.27905 5.78814 6.12885 numMergedOcc 0
38 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 10.6933 6.79114 4.68615 numMergedOcc 0
39 mol 152 unq 1 iso 0 dist 9.37459 8.41711 5.87555 5.0146 7.59457 4.73288 numMergedOcc 0
40 mol 152 unq 2 iso 0 dist 9.37459 4.82496 8.87437 10.6933 6.79114 9.35878 numMergedOcc 0
41 mol 152 unq 3 iso 0 dist 9.37459 4.82496 8.87437 5.0146 7.59457 4.70284 numMergedOcc 0
42 mol 152 unq 4 iso 0 dist 9.0847 14.8573 8.56324 5.0146 9.00072 12.2243 numMergedOcc 0
43 mol 152 unq 5 iso 0 dist 9.0847 8.41711 6.70283 5.0146 9.00072 4.73288 numMergedOcc 0
44 mol 152 unq 6 iso 0 dist 9.0847 4.82496 7.16148 5.0146 9.00072 4.70284 numMergedOcc 0
45 mol 152 unq 7 iso 0 dist 6.00061 8.41711 8.67331 5.0146 7.55419 4.73288 numMergedOcc 0
46 mol 152 unq 8 iso 0 dist 6.00061 4.82496 8.05741 5.0146 7.55419 4.70284 numMergedOcc 0
47 mol 178 unq 0 iso 0 dist 7.14849 6.96904 6.69288 8.84201 4.72821 4.69387 numMergedOcc 0
48 mol 178 unq 1 iso 0 dist 7.14849 7.57303 6.43573 8.84201 4.72821 3.70233 numMergedOcc 0
49 mol 178 unq 2 iso 0 dist 7.14849 14.0459 7.17202 8.84201 4.72821 7.39705 numMergedOcc 0
50 mol 178 unq 3 iso 0 dist 7.14849 14.3001 8.81551 8.84201 4.72821 9.77268 numMergedOcc 0
51 mol 178 unq 4 iso 0 dist 8.63718 11.5509 6.69288 7.09333 4.72821 4.69387 numMergedOcc 0
52 mol 178 unq 5 iso 0 dist 8.63718 7.31401 6.43573 7.09333 4.72821 3.70233 numMergedOcc 0
53 mol 178 unq 6 iso 0 dist 8.63718 5.91018 7.17202 7.09333 4.72821 7.39705 numMergedOcc 0
54 mol 178 unq 7 iso 0 dist 8.63718 4.92895 8.81551 7.09333 4.72821 9.77268 numMergedOcc 0
55 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 3.95968 7.13783 13.3822 numMergedOcc 0
56 mol 206 unq 0 iso 0 dist 7.94694 5.1071 7.7366 5.69659 4.51255 7.83734 numMergedOcc 0
57 mol 206 unq 1 iso 0 dist 7.51923 5.39127 8.02137 5.69659 6.23183 8.20841 numMergedOcc 0
58 mol 206 unq 2 iso 0 dist 7.51923 5.1071 9.774 5.69659 6.23183 7.83734 numMergedOcc 0
59 mol 235 unq 0 iso 0 dist 8.84872 4.28841 5.4638 3.90737 8.08965 4.75609 numMergedOcc 0
60 mol 265 unq 0 iso 0 dist 6.78702 4.75685 8.4218 3.5393 5.7944 7.71667 numMergedOcc 0
61 mol 265 unq 1 iso 0 dist 8.59825 11.5105 8.4218 3.99477 5.7944 7.71667 numMergedOcc 0
62 mol 277 unq 0 iso 0 dist 9.64889 15.4648 9.7748 13.4595 4.9764 11.8607 numMergedOcc 0
63 mol 277 unq 1 iso 0 dist 9.64889 15.4648 9.7748 13.6295 6.36559 10.9137 numMergedOcc 0
