0 mol 20 unq 0 iso 0 dist 9.88078 8.98326 9.51548 13.1319 7.55864 10.6288 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 7.53599 8.98326 10.9502 13.1319 9.33568 10.6288 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 8.29395 9.3973 9.1215 14.4208 9.42165 18.4687 numMergedOcc 0
3 mol 21 unq 1 iso 0 dist 6.51419 7.01513 8.64046 10.1586 9.42165 15.976 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 7.29373 9.85555 9.05723 5.91728 9.14324 9.23033 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 7.94809 6.72469 8.98281 10.7844 9.23087 14.8004 numMergedOcc 0
6 mol 70 unq 0 iso 0 dist 9.54062 8.63204 14.179 11.6402 7.49737 19.1526 numMergedOcc 0
7 mol 70 unq 1 iso 0 dist 9.54062 5.4014 9.95452 11.6402 7.49737 14.5465 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.35752 7.10218 12.0556 6.86446 6.00779 13.9501 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.88238 7.10218 4.3232 12.5791 5.52283 7.75341 numMergedOcc 0
10 mol 89 unq 0 iso 0 dist 7.00136 7.02228 6.79284 11.2532 9.63477 10.2892 numMergedOcc 0
11 mol 108 unq 0 iso 0 dist 6.85803 9.57959 11.1523 8.67837 9.01604 5.60118 numMergedOcc 0
12 mol 108 unq 1 iso 0 dist 5.64136 9.57959 7.29981 8.67837 5.37466 5.60118 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 6.94623 7.76446 10.8443 8.7669 7.59996 15.2814 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 6.94623 6.14652 5.62629 8.7669 7.59996 11.9451 numMergedOcc 0
15 mol 154 unq 0 iso 0 dist 5.7306 8.59532 6.11889 13.588 9.58365 14.8258 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 9.1579 9.36144 6.40912 13.5193 5.71819 11.931 numMergedOcc 0
17 mol 206 unq 1 iso 0 dist 9.1579 9.36144 6.40912 10.3181 8.48679 14.0863 numMergedOcc 0
18 mol 206 unq 2 iso 0 dist 9.1579 9.36144 6.40912 5.85716 9.86924 10.7174 numMergedOcc 0
19 mol 206 unq 3 iso 0 dist 9.1579 9.36144 6.40912 8.09615 7.44186 5.83021 numMergedOcc 0
20 mol 217 unq 0 iso 0 dist 8.57319 9.41353 3.27808 6.7582 7.01604 9.71696 numMergedOcc 0
21 mol 217 unq 1 iso 0 dist 8.57319 8.28155 4.38808 6.7582 7.01604 5.27487 numMergedOcc 0
