0 mol 7 unq 0 iso 0 dist 5.77374 9.8603 5.70161 15.8072 10.0459 8.72114 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 9.8603 4.57188 15.8072 10.4728 8.72114 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.76332 8.46229 5.41626 9.93406 11.2374 7.32257 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 9.56648 6.36377 5.35079 5.96976 12.137 6.93532 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.64082 8.609 7.18789 5.73417 9.43959 8.1284 numMergedOcc 0
5 mol 44 unq 0 iso 0 dist 7.85573 7.78905 6.07691 9.64095 7.42925 9.6782 numMergedOcc 0
6 mol 44 unq 1 iso 0 dist 6.21423 9.44909 6.07691 4.83412 7.42925 9.6782 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 9.52763 7.20538 7.91078 3.63144 9.78973 7.16773 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.87177 8.06168 4.49951 4.53047 7.45801 6.02816 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.70925 8.67532 4.49951 7.05537 7.45801 6.02816 numMergedOcc 0
10 mol 101 unq 0 iso 0 dist 5.5199 5.22543 5.16122 5.08458 9.83799 6.98314 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 8.39253 6.40546 11.6714 5.73999 13.5149 8.99399 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 9.44788 6.18763 6.83988 6.49348 5.58734 8.00003 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 9.44788 8.44385 14.8957 4.01593 13.2182 9.11344 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 9.44788 5.63005 12.1168 4.01593 13.2182 6.52773 numMergedOcc 0
15 mol 119 unq 4 iso 0 dist 9.44788 5.63005 12.1168 13.1254 17.6771 9.23858 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 6.85651 9.3894 8.00493 11.5759 13.4486 6.66772 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 6.23615 9.50322 14.5344 16.7326 19.5418 9.22232 numMergedOcc 0
18 mol 133 unq 2 iso 0 dist 6.23615 9.50322 14.5344 10.2948 16.4054 9.22661 numMergedOcc 0
19 mol 133 unq 3 iso 0 dist 6.23615 9.50322 14.5344 11.6924 17.5793 7.56378 numMergedOcc 0
20 mol 162 unq 0 iso 0 dist 8.77869 8.25167 6.71523 4.13881 9.25835 6.45896 numMergedOcc 0
21 mol 180 unq 0 iso 0 dist 5.43774 9.88732 9.76368 10.6052 12.9666 5.85827 numMergedOcc 0
22 mol 180 unq 1 iso 0 dist 8.31061 5.77949 9.76368 5.62869 12.9666 5.85827 numMergedOcc 0
23 mol 181 unq 0 iso 0 dist 6.13872 9.58911 5.07895 12.0718 10.0499 6.22122 numMergedOcc 0
24 mol 212 unq 0 iso 0 dist 7.73701 8.062 9.7586 4.69067 11.1328 9.74144 numMergedOcc 0
25 mol 212 unq 1 iso 0 dist 7.73701 8.062 9.7586 10.4595 15.1376 8.69988 numMergedOcc 0
26 mol 212 unq 2 iso 0 dist 7.73701 8.062 9.7586 14.0193 17.6988 8.55903 numMergedOcc 0
27 mol 212 unq 3 iso 0 dist 7.73701 8.062 9.7586 4.18086 11.1719 7.15603 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 6.14732 9.07872 13.552 4.21811 8.61546 6.02296 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 6.56262 7.50424 4.93539 11.2248 10.7062 6.30154 numMergedOcc 0
30 mol 234 unq 1 iso 0 dist 6.56262 7.50424 4.93539 10.6488 10.5552 7.32499 numMergedOcc 0
31 mol 235 unq 0 iso 0 dist 6.44932 7.08539 5.47633 13.0408 14.186 9.55668 numMergedOcc 0
32 mol 243 unq 0 iso 0 dist 8.28364 6.86162 5.75876 3.87679 10.5262 7.49645 numMergedOcc 0
33 mol 249 unq 0 iso 0 dist 7.279 6.37672 9.82483 4.20164 4.68783 5.48118 numMergedOcc 0
34 mol 249 unq 1 iso 0 dist 8.43448 8.94023 9.82483 5.93404 4.68783 5.48118 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 5.98006 8.06771 5.71237 5.61261 9.69025 7.98231 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 6.98812 7.04833 5.56416 10.7881 7.49913 6.71375 numMergedOcc 0
37 mol 274 unq 0 iso 0 dist 8.26851 6.55855 13.002 6.70266 14.0223 9.45514 numMergedOcc 0
38 mol 274 unq 1 iso 0 dist 8.26851 6.55855 13.002 5.15747 9.67276 6.39866 numMergedOcc 0
39 mol 274 unq 2 iso 0 dist 8.26851 9.52894 17.6855 6.70266 14.0223 7.1729 numMergedOcc 0
40 mol 274 unq 3 iso 0 dist 8.14634 6.55855 10.2307 6.70266 14.0902 9.45514 numMergedOcc 0
41 mol 274 unq 4 iso 0 dist 8.14634 6.55855 10.2307 5.15747 9.02661 6.39866 numMergedOcc 0
42 mol 274 unq 5 iso 0 dist 8.14634 9.52894 16.0912 6.70266 14.0902 7.1729 numMergedOcc 0
43 mol 292 unq 0 iso 0 dist 8.92332 5.75596 13.9754 8.07013 16.4005 7.83341 numMergedOcc 0
