0 mol 12 unq 0 iso 0 dist 8.34132 6.16894 8.98466 6.13614 7.96154 8.5421 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 6.56878 4.76335 8.30431 14.0291 9.94756 16.966 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 6.56395 4.76335 4.628 9.03724 6.85094 4.71793 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 8.69782 6.34034 7.09393 12.7376 8.51894 8.50938 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 7.69888 6.34034 3.87167 12.7376 8.27592 8.50938 numMergedOcc 0
5 mol 69 unq 2 iso 0 dist 9.35592 8.85272 7.09393 5.09333 8.51894 8.50938 numMergedOcc 0
6 mol 69 unq 3 iso 0 dist 9.6155 8.85272 3.87167 5.09333 8.27592 8.50938 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 9.81722 12.7037 5.39171 17.1706 7.84699 6.13631 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.81722 12.7037 5.39171 11.3142 7.53504 12.6081 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 8.27446 14.5698 9.27355 10.116 8.40844 6.13631 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.27446 14.5698 9.27355 8.54022 7.02351 16.1129 numMergedOcc 0
11 mol 73 unq 4 iso 0 dist 8.27446 14.5698 9.27355 15.6804 8.66342 12.6081 numMergedOcc 0
12 mol 73 unq 5 iso 0 dist 9.76332 14.5698 8.60363 10.116 6.99156 6.13631 numMergedOcc 0
13 mol 73 unq 6 iso 0 dist 9.76332 14.5698 8.60363 15.6804 7.21285 12.6081 numMergedOcc 0
14 mol 73 unq 7 iso 0 dist 9.76332 6.15303 9.27331 10.116 6.99156 11.9439 numMergedOcc 0
15 mol 73 unq 8 iso 0 dist 9.76332 6.15303 9.27331 15.6804 7.21285 14.1204 numMergedOcc 0
16 mol 90 unq 0 iso 0 dist 8.86576 7.71069 6.6146 13.8239 8.6308 6.3566 numMergedOcc 0
17 mol 151 unq 0 iso 0 dist 9.99307 13.1925 8.40442 6.91021 6.12385 10.5699 numMergedOcc 0
18 mol 173 unq 0 iso 0 dist 8.68723 5.43254 5.97008 6.54119 7.13369 8.90271 numMergedOcc 0
19 mol 178 unq 0 iso 0 dist 8.22236 5.82302 6.25455 11.0076 7.82796 6.33374 numMergedOcc 0
20 mol 235 unq 0 iso 0 dist 9.50104 11.7155 7.99218 13.3027 7.52696 5.63043 numMergedOcc 0
21 mol 249 unq 0 iso 0 dist 8.05967 4.7367 6.18866 4.38116 5.66519 6.59067 numMergedOcc 0
22 mol 249 unq 1 iso 0 dist 9.62613 4.7367 9.3807 4.38116 6.50067 6.59067 numMergedOcc 0
23 mol 249 unq 2 iso 0 dist 8.75137 13.7221 6.18866 8.24395 5.66519 6.59067 numMergedOcc 0
24 mol 249 unq 3 iso 0 dist 7.82699 13.7221 9.3807 8.24395 6.50067 6.59067 numMergedOcc 0
25 mol 260 unq 0 iso 0 dist 4.1077 7.32832 9.18439 5.14726 9.05149 7.91317 numMergedOcc 0
26 mol 260 unq 1 iso 0 dist 4.1077 7.32832 9.18439 7.3067 8.3298 7.86533 numMergedOcc 0
27 mol 265 unq 0 iso 0 dist 8.25956 5.09576 4.03921 6.60526 5.10595 5.46523 numMergedOcc 0
28 mol 277 unq 0 iso 0 dist 5.73065 8.3109 6.23539 5.57184 9.42812 13.1 numMergedOcc 0
29 mol 285 unq 0 iso 0 dist 8.5942 5.60271 8.08495 10.2687 8.33415 5.8542 numMergedOcc 0
30 mol 285 unq 1 iso 0 dist 8.5942 6.54424 9.3482 10.2687 8.33415 8.66375 numMergedOcc 0
