0 mol 4 unq 0 iso 0 dist 9.4539 5.30385 7.87155 9.77024 12.4212 10.3461 numMergedOcc 0
1 mol 4 unq 0 iso 1 dist 9.4539 9.77024 12.4212 5.30385 7.87155 10.3461 numMergedOcc 0
2 mol 4 unq 1 iso 0 dist 6.47964 5.30385 8.55937 9.77024 5.48752 10.3461 numMergedOcc 0
3 mol 4 unq 1 iso 1 dist 6.47964 9.77024 5.48752 5.30385 8.55937 10.3461 numMergedOcc 0
4 mol 4 unq 2 iso 0 dist 9.50144 5.30385 11.5141 9.77024 10.0111 10.3461 numMergedOcc 0
5 mol 4 unq 2 iso 1 dist 9.50144 9.77024 10.0111 5.30385 11.5141 10.3461 numMergedOcc 0
6 mol 12 unq 0 iso 0 dist 8.15864 8.18296 10.1802 7.99569 11.8349 5.25297 numMergedOcc 0
7 mol 12 unq 0 iso 1 dist 8.15864 7.99569 11.8349 8.18296 10.1802 5.25297 numMergedOcc 0
8 mol 17 unq 0 iso 0 dist 9.5937 9.78918 14.6638 6.80314 12.7368 7.31113 numMergedOcc 0
9 mol 17 unq 0 iso 1 dist 9.5937 6.80314 12.7368 9.78918 14.6638 7.31113 numMergedOcc 0
10 mol 17 unq 1 iso 0 dist 7.34681 9.78918 16.9932 6.80314 13.5569 7.31113 numMergedOcc 0
11 mol 17 unq 1 iso 1 dist 7.34681 6.80314 13.5569 9.78918 16.9932 7.31113 numMergedOcc 0
12 mol 67 unq 0 iso 0 dist 6.12267 7.41937 4.26531 6.07108 6.56501 4.05717 numMergedOcc 0
13 mol 67 unq 0 iso 1 dist 6.12267 6.07108 6.56501 7.41937 4.26531 4.05717 numMergedOcc 0
14 mol 67 unq 1 iso 0 dist 8.27009 9.42982 14.2762 8.17929 4.26531 12.7806 numMergedOcc 0
15 mol 67 unq 1 iso 1 dist 8.27009 8.17929 4.26531 9.42982 14.2762 12.7806 numMergedOcc 0
16 mol 67 unq 2 iso 0 dist 8.27009 9.42982 14.2762 5.63802 6.56501 11.721 numMergedOcc 0
17 mol 67 unq 2 iso 1 dist 8.27009 5.63802 6.56501 9.42982 14.2762 11.721 numMergedOcc 0
18 mol 67 unq 2 iso 0 dist 8.27009 8.17929 4.26531 5.63802 6.56501 4.05717 numMergedOcc 0
19 mol 67 unq 2 iso 1 dist 8.27009 5.63802 6.56501 8.17929 4.26531 4.05717 numMergedOcc 0
20 mol 67 unq 3 iso 0 dist 5.80736 9.42982 7.47077 8.17929 5.92208 12.7806 numMergedOcc 0
21 mol 67 unq 3 iso 1 dist 5.80736 8.17929 5.92208 9.42982 7.47077 12.7806 numMergedOcc 0
22 mol 67 unq 4 iso 0 dist 5.80736 9.42982 7.47077 5.63802 4.53519 11.721 numMergedOcc 0
23 mol 67 unq 4 iso 1 dist 5.80736 5.63802 4.53519 9.42982 7.47077 11.721 numMergedOcc 0
24 mol 67 unq 4 iso 0 dist 5.80736 8.17929 5.92208 5.63802 4.53519 4.05717 numMergedOcc 0
25 mol 67 unq 4 iso 1 dist 5.80736 5.63802 4.53519 8.17929 5.92208 4.05717 numMergedOcc 0
26 mol 67 unq 5 iso 0 dist 8.43162 7.41937 11.1043 6.07108 12.2002 4.05717 numMergedOcc 0
27 mol 67 unq 5 iso 1 dist 8.43162 6.07108 12.2002 7.41937 11.1043 4.05717 numMergedOcc 0
28 mol 79 unq 0 iso 0 dist 8.64686 7.99438 14.0351 6.64915 13.4228 4.44577 numMergedOcc 0
29 mol 79 unq 0 iso 1 dist 8.64686 6.64915 13.4228 7.99438 14.0351 4.44577 numMergedOcc 0
30 mol 129 unq 0 iso 0 dist 9.52061 7.32407 7.72162 6.48695 7.95267 5.41583 numMergedOcc 0
31 mol 129 unq 0 iso 1 dist 9.52061 6.48695 7.95267 7.32407 7.72162 5.41583 numMergedOcc 0
32 mol 148 unq 0 iso 0 dist 8.6953 6.86997 4.74651 7.46919 9.03832 4.32771 numMergedOcc 0
33 mol 148 unq 0 iso 1 dist 8.6953 7.46919 9.03832 6.86997 4.74651 4.32771 numMergedOcc 0
34 mol 148 unq 1 iso 0 dist 8.6953 6.86997 4.74651 8.24581 10.0113 5.84014 numMergedOcc 0
35 mol 148 unq 1 iso 1 dist 8.6953 8.24581 10.0113 6.86997 4.74651 5.84014 numMergedOcc 0
36 mol 148 unq 1 iso 0 dist 8.6953 7.46919 9.03832 8.24581 10.0113 4.26306 numMergedOcc 0
37 mol 148 unq 1 iso 1 dist 8.6953 8.24581 10.0113 7.46919 9.03832 4.26306 numMergedOcc 0
38 mol 150 unq 0 iso 0 dist 8.65967 6.79381 4.75241 7.36989 9.0892 4.39943 numMergedOcc 0
39 mol 150 unq 0 iso 1 dist 8.65967 7.36989 9.0892 6.79381 4.75241 4.39943 numMergedOcc 0
40 mol 150 unq 1 iso 0 dist 8.65967 6.79381 4.75241 8.17805 10.21 5.93611 numMergedOcc 0
41 mol 150 unq 1 iso 1 dist 8.65967 8.17805 10.21 6.79381 4.75241 5.93611 numMergedOcc 0
42 mol 150 unq 1 iso 0 dist 8.65967 7.36989 9.0892 8.17805 10.21 4.30207 numMergedOcc 0
43 mol 150 unq 1 iso 1 dist 8.65967 8.17805 10.21 7.36989 9.0892 4.30207 numMergedOcc 0
44 mol 171 unq 0 iso 0 dist 6.19457 6.4751 9.13204 5.75085 6.62952 3.98338 numMergedOcc 0
45 mol 171 unq 0 iso 1 dist 6.19457 5.75085 6.62952 6.4751 9.13204 3.98338 numMergedOcc 0
46 mol 188 unq 0 iso 0 dist 8.1907 6.47305 10.2716 6.20426 5.01686 6.28555 numMergedOcc 0
47 mol 188 unq 0 iso 1 dist 8.1907 6.20426 5.01686 6.47305 10.2716 6.28555 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 6.77822 6.83927 4.06349 9.25162 9.4234 5.77703 numMergedOcc 0
49 mol 232 unq 0 iso 1 dist 6.77822 9.25162 9.4234 6.83927 4.06349 5.77703 numMergedOcc 0
50 mol 236 unq 0 iso 0 dist 7.74348 8.88405 8.64384 7.13854 9.7977 6.06161 numMergedOcc 0
51 mol 236 unq 0 iso 1 dist 7.74348 7.13854 9.7977 8.88405 8.64384 6.06161 numMergedOcc 0
52 mol 239 unq 0 iso 0 dist 8.48545 6.91534 9.08479 8.67704 5.88166 5.55889 numMergedOcc 0
53 mol 239 unq 0 iso 1 dist 8.48545 8.67704 5.88166 6.91534 9.08479 5.55889 numMergedOcc 0
54 mol 273 unq 0 iso 0 dist 5.78262 9.57659 12.1916 7.8424 7.70478 5.57478 numMergedOcc 0
55 mol 273 unq 0 iso 1 dist 5.78262 7.8424 7.70478 9.57659 12.1916 5.57478 numMergedOcc 0
56 mol 273 unq 1 iso 0 dist 7.6489 9.57659 5.91118 7.8424 4.59769 5.57478 numMergedOcc 0
57 mol 273 unq 1 iso 1 dist 7.6489 7.8424 4.59769 9.57659 5.91118 5.57478 numMergedOcc 0
