0 mol 25 unq 0 iso 0 dist 7.05196 4.69295 8.07318 5.04899 6.47509 6.55597 numMergedOcc 0
1 mol 25 unq 0 iso 1 dist 6.55597 6.47509 8.07318 5.04899 4.69295 7.05196 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 7.05196 11.6045 7.44277 11.9561 5.63212 4.79873 numMergedOcc 0
3 mol 25 unq 1 iso 1 dist 4.79873 5.63212 7.44277 11.9561 11.6045 7.05196 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 6.6263 10.8828 8.34145 10.5523 4.96926 6.66407 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 6.66407 4.96926 8.34145 10.5523 10.8828 6.6263 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 6.75943 5.07458 8.34145 5.73819 4.96926 6.66407 numMergedOcc 0
7 mol 43 unq 1 iso 1 dist 6.66407 4.96926 8.34145 5.73819 5.07458 6.75943 numMergedOcc 0
8 mol 56 unq 0 iso 0 dist 9.03564 9.96534 8.77529 14.5295 9.67727 9.2898 numMergedOcc 0
9 mol 56 unq 0 iso 1 dist 9.2898 9.67727 8.77529 14.5295 9.96534 9.03564 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.13108 13.5024 9.59729 10.0992 5.31985 6.72869 numMergedOcc 0
11 mol 76 unq 0 iso 1 dist 6.72869 5.31985 9.59729 10.0992 13.5024 8.13108 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 8.13108 13.5024 9.59729 16.758 15.4159 9.85905 numMergedOcc 0
13 mol 76 unq 1 iso 1 dist 9.85905 15.4159 9.59729 16.758 13.5024 8.13108 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 7.13008 9.50063 8.89015 13.2315 6.95017 9.33861 numMergedOcc 0
15 mol 92 unq 0 iso 1 dist 9.33861 6.95017 8.89015 13.2315 9.50063 7.13008 numMergedOcc 0
16 mol 95 unq 0 iso 0 dist 9.3948 13.086 8.75345 20.613 16.9857 9.11586 numMergedOcc 0
17 mol 95 unq 0 iso 1 dist 9.11586 16.9857 8.75345 20.613 13.086 9.3948 numMergedOcc 0
18 mol 109 unq 0 iso 0 dist 9.89083 10.9531 9.09348 13.1098 5.00433 7.07971 numMergedOcc 0
19 mol 109 unq 0 iso 1 dist 7.07971 5.00433 9.09348 13.1098 10.9531 9.89083 numMergedOcc 0
20 mol 109 unq 1 iso 0 dist 8.52024 4.69373 9.09348 8.69985 5.00433 7.07971 numMergedOcc 0
21 mol 109 unq 1 iso 1 dist 7.07971 5.00433 9.09348 8.69985 4.69373 8.52024 numMergedOcc 0
22 mol 115 unq 0 iso 0 dist 6.24825 6.63111 7.65564 9.33865 6.95773 6.39384 numMergedOcc 0
23 mol 115 unq 0 iso 1 dist 6.39384 6.95773 7.65564 9.33865 6.63111 6.24825 numMergedOcc 0
24 mol 115 unq 1 iso 0 dist 6.24825 6.63111 7.65564 5.83991 6.01673 9.42082 numMergedOcc 0
25 mol 115 unq 1 iso 1 dist 9.42082 6.01673 7.65564 5.83991 6.63111 6.24825 numMergedOcc 0
26 mol 133 unq 0 iso 0 dist 8.26547 6.9945 7.48208 8.22656 4.88025 7.22643 numMergedOcc 0
27 mol 133 unq 0 iso 1 dist 7.22643 4.88025 7.48208 8.22656 6.9945 8.26547 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 9.05342 4.19723 7.48208 6.82262 4.88025 7.22643 numMergedOcc 0
29 mol 133 unq 1 iso 1 dist 7.22643 4.88025 7.48208 6.82262 4.19723 9.05342 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 9.33094 8.06642 8.62504 11.7385 4.46337 9.66543 numMergedOcc 0
31 mol 134 unq 0 iso 1 dist 9.66543 4.46337 8.62504 11.7385 8.06642 9.33094 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 9.33094 8.06642 8.62504 8.94367 7.41373 7.21868 numMergedOcc 0
33 mol 134 unq 1 iso 1 dist 7.21868 7.41373 8.62504 8.94367 8.06642 9.33094 numMergedOcc 0
34 mol 134 unq 2 iso 0 dist 9.33094 8.06642 8.62504 6.37586 10.8635 7.93372 numMergedOcc 0
35 mol 134 unq 2 iso 1 dist 7.93372 10.8635 8.62504 6.37586 8.06642 9.33094 numMergedOcc 0
36 mol 134 unq 1 iso 0 dist 9.66543 4.46337 8.62504 11.3835 4.00092 8.69531 numMergedOcc 0
37 mol 134 unq 1 iso 1 dist 8.69531 4.00092 8.62504 11.3835 4.46337 9.66543 numMergedOcc 0
38 mol 134 unq 2 iso 0 dist 7.21868 7.41373 8.62504 9.86662 4.00092 8.69531 numMergedOcc 0
39 mol 134 unq 2 iso 1 dist 8.69531 4.00092 8.62504 9.86662 7.41373 7.21868 numMergedOcc 0
40 mol 134 unq 3 iso 0 dist 7.93372 10.8635 8.62504 9.71307 4.00092 8.69531 numMergedOcc 0
41 mol 134 unq 3 iso 1 dist 8.69531 4.00092 8.62504 9.71307 10.8635 7.93372 numMergedOcc 0
42 mol 143 unq 0 iso 0 dist 5.37047 7.39837 9.29944 5.99315 4.78563 5.40637 numMergedOcc 0
43 mol 143 unq 0 iso 1 dist 5.40637 4.78563 9.29944 5.99315 7.39837 5.37047 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 6.49765 8.97813 5.03818 10.0042 4.3093 7.21137 numMergedOcc 0
45 mol 205 unq 0 iso 1 dist 7.21137 4.3093 5.03818 10.0042 8.97813 6.49765 numMergedOcc 0
46 mol 205 unq 1 iso 0 dist 6.49765 8.97813 5.03818 13.4269 8.90569 8.4844 numMergedOcc 0
47 mol 205 unq 1 iso 1 dist 8.4844 8.90569 5.03818 13.4269 8.97813 6.49765 numMergedOcc 0
48 mol 243 unq 0 iso 0 dist 8.69318 5.74165 8.20943 8.23192 5.71505 7.10671 numMergedOcc 0
49 mol 243 unq 0 iso 1 dist 7.10671 5.71505 8.20943 8.23192 5.74165 8.69318 numMergedOcc 0
50 mol 264 unq 0 iso 0 dist 5.90924 5.71153 9.78237 10.4298 11.4167 9.19754 numMergedOcc 0
51 mol 264 unq 0 iso 1 dist 9.19754 11.4167 9.78237 10.4298 5.71153 5.90924 numMergedOcc 0
52 mol 264 unq 1 iso 0 dist 5.90924 5.71153 9.78237 9.90113 13.2035 8.29262 numMergedOcc 0
53 mol 264 unq 1 iso 1 dist 8.29262 13.2035 9.78237 9.90113 5.71153 5.90924 numMergedOcc 0
54 mol 264 unq 2 iso 0 dist 5.90058 12.6872 9.78237 14.2152 11.4167 9.19754 numMergedOcc 0
55 mol 264 unq 2 iso 1 dist 9.19754 11.4167 9.78237 14.2152 12.6872 5.90058 numMergedOcc 0
56 mol 264 unq 3 iso 0 dist 5.90058 12.6872 9.78237 14.5869 13.2035 8.29262 numMergedOcc 0
57 mol 264 unq 3 iso 1 dist 8.29262 13.2035 9.78237 14.5869 12.6872 5.90058 numMergedOcc 0
58 mol 264 unq 4 iso 0 dist 9.58916 6.56539 9.78237 12.864 11.4167 9.19754 numMergedOcc 0
59 mol 264 unq 4 iso 1 dist 9.19754 11.4167 9.78237 12.864 6.56539 9.58916 numMergedOcc 0
60 mol 264 unq 5 iso 0 dist 9.58916 6.56539 9.78237 13.9815 13.2035 8.29262 numMergedOcc 0
61 mol 264 unq 5 iso 1 dist 8.29262 13.2035 9.78237 13.9815 6.56539 9.58916 numMergedOcc 0
