0 mol 0 unq 0 iso 0 dist 8.38106 4.76239 7.96742 14.3865 7.19397 12.7706 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 8.38106 14.3865 7.19397 4.76239 7.96742 12.7706 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 5.70193 9.1935 7.96742 6.27899 7.19397 12.7706 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 5.70193 6.27899 7.19397 9.1935 7.96742 12.7706 numMergedOcc 0
4 mol 6 unq 0 iso 0 dist 9.38351 6.10198 6.1462 9.37554 9.12796 4.09396 numMergedOcc 0
5 mol 6 unq 0 iso 1 dist 9.38351 9.37554 9.12796 6.10198 6.1462 4.09396 numMergedOcc 0
6 mol 12 unq 0 iso 0 dist 4.62913 7.18195 5.9021 6.70723 8.98466 12.3127 numMergedOcc 0
7 mol 12 unq 0 iso 1 dist 4.62913 6.70723 8.98466 7.18195 5.9021 12.3127 numMergedOcc 0
8 mol 38 unq 0 iso 0 dist 7.96306 12.6215 7.55357 5.47531 5.86972 9.56267 numMergedOcc 0
9 mol 38 unq 0 iso 1 dist 7.96306 5.47531 5.86972 12.6215 7.55357 9.56267 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 6.49174 4.3501 8.13653 5.31552 5.44539 4.57786 numMergedOcc 0
11 mol 54 unq 0 iso 1 dist 6.49174 5.31552 5.44539 4.3501 8.13653 4.57786 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 9.00405 6.73658 7.09393 6.55166 3.87167 3.83043 numMergedOcc 0
13 mol 69 unq 0 iso 1 dist 9.00405 6.55166 3.87167 6.73658 7.09393 3.83043 numMergedOcc 0
14 mol 69 unq 1 iso 0 dist 5.06756 6.60542 7.09393 3.36421 3.87167 3.83043 numMergedOcc 0
15 mol 69 unq 1 iso 1 dist 5.06756 3.36421 3.87167 6.60542 7.09393 3.83043 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 7.67877 7.25115 7.96689 6.02631 4.83134 8.94234 numMergedOcc 0
17 mol 133 unq 0 iso 1 dist 7.67877 6.02631 4.83134 7.25115 7.96689 8.94234 numMergedOcc 0
18 mol 133 unq 1 iso 0 dist 5.01269 7.25115 9.6582 6.02631 5.17734 8.94234 numMergedOcc 0
19 mol 133 unq 1 iso 1 dist 5.01269 6.02631 5.17734 7.25115 9.6582 8.94234 numMergedOcc 0
20 mol 133 unq 2 iso 0 dist 7.17051 5.80658 5.12189 8.58899 7.50126 11.0817 numMergedOcc 0
21 mol 133 unq 2 iso 1 dist 7.17051 8.58899 7.50126 5.80658 5.12189 11.0817 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 7.7013 14.2738 8.6609 8.62822 6.21546 6.77498 numMergedOcc 0
23 mol 175 unq 0 iso 1 dist 7.7013 8.62822 6.21546 14.2738 8.6609 6.77498 numMergedOcc 0
24 mol 175 unq 1 iso 0 dist 7.7013 14.2738 8.6609 7.44933 6.03184 12.0951 numMergedOcc 0
25 mol 175 unq 1 iso 1 dist 7.7013 7.44933 6.03184 14.2738 8.6609 12.0951 numMergedOcc 0
26 mol 175 unq 1 iso 0 dist 7.7013 8.62822 6.21546 7.44933 6.03184 7.01839 numMergedOcc 0
27 mol 175 unq 1 iso 1 dist 7.7013 7.44933 6.03184 8.62822 6.21546 7.01839 numMergedOcc 0
28 mol 241 unq 0 iso 0 dist 8.96917 5.37052 7.41298 4.58303 9.99337 6.59047 numMergedOcc 0
29 mol 241 unq 0 iso 1 dist 8.96917 4.58303 9.99337 5.37052 7.41298 6.59047 numMergedOcc 0
30 mol 254 unq 0 iso 0 dist 5.17988 5.24816 9.36171 4.6577 7.87218 8.83027 numMergedOcc 0
31 mol 254 unq 0 iso 1 dist 5.17988 4.6577 7.87218 5.24816 9.36171 8.83027 numMergedOcc 0
32 mol 254 unq 1 iso 0 dist 8.76115 5.24816 7.53352 9.11887 7.80793 5.93819 numMergedOcc 0
33 mol 254 unq 1 iso 1 dist 8.76115 9.11887 7.80793 5.24816 7.53352 5.93819 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 9.17911 5.62491 6.08181 15.136 7.70189 9.86352 numMergedOcc 0
35 mol 258 unq 0 iso 1 dist 9.17911 15.136 7.70189 5.62491 6.08181 9.86352 numMergedOcc 0
36 mol 258 unq 1 iso 0 dist 9.52903 13.2258 6.08181 3.95075 7.70189 9.86352 numMergedOcc 0
37 mol 258 unq 1 iso 1 dist 9.52903 3.95075 7.70189 13.2258 6.08181 9.86352 numMergedOcc 0
38 mol 259 unq 0 iso 0 dist 8.06908 7.10624 8.91916 5.09929 4.55368 4.70261 numMergedOcc 0
39 mol 259 unq 0 iso 1 dist 8.06908 5.09929 4.55368 7.10624 8.91916 4.70261 numMergedOcc 0
40 mol 266 unq 0 iso 0 dist 9.33791 9.58851 8.61786 11.5981 8.42706 11.4983 numMergedOcc 0
41 mol 266 unq 0 iso 1 dist 9.33791 11.5981 8.42706 9.58851 8.61786 11.4983 numMergedOcc 0
42 mol 279 unq 0 iso 0 dist 9.56601 6.17316 5.78017 13.1019 8.78203 10.71 numMergedOcc 0
43 mol 279 unq 0 iso 1 dist 9.56601 13.1019 8.78203 6.17316 5.78017 10.71 numMergedOcc 0
44 mol 279 unq 1 iso 0 dist 6.70261 6.00582 7.319 6.17316 6.12742 10.8005 numMergedOcc 0
45 mol 279 unq 1 iso 1 dist 6.70261 6.17316 6.12742 6.00582 7.319 10.8005 numMergedOcc 0
46 mol 279 unq 2 iso 0 dist 6.70261 6.00582 7.319 8.96297 9.45886 12.8532 numMergedOcc 0
47 mol 279 unq 2 iso 1 dist 6.70261 8.96297 9.45886 6.00582 7.319 12.8532 numMergedOcc 0
48 mol 279 unq 2 iso 0 dist 6.70261 6.17316 6.12742 8.96297 9.45886 5.48262 numMergedOcc 0
49 mol 279 unq 2 iso 1 dist 6.70261 8.96297 9.45886 6.17316 6.12742 5.48262 numMergedOcc 0
50 mol 283 unq 0 iso 0 dist 8.43009 5.51524 8.3815 11.6321 7.13925 11.1685 numMergedOcc 0
51 mol 283 unq 0 iso 1 dist 8.43009 11.6321 7.13925 5.51524 8.3815 11.1685 numMergedOcc 0
