0 mol 6 unq 0 iso 0 dist 8.77674 7.77032 6.04286 6.23338 11.6434 6.98764 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 4.97954 7.89468 4.1456 11.3221 9.25641 8.49525 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 4.97954 8.44721 12.9963 10.585 14.8484 9.71891 numMergedOcc 0
3 mol 44 unq 2 iso 0 dist 4.97954 8.44721 12.9963 5.57404 10.1675 7.55822 numMergedOcc 0
4 mol 44 unq 3 iso 0 dist 9.20117 7.89468 6.87676 11.3221 12.9139 8.49525 numMergedOcc 0
5 mol 44 unq 4 iso 0 dist 9.20117 8.44721 16.3522 10.585 19.5952 9.71891 numMergedOcc 0
6 mol 44 unq 5 iso 0 dist 9.20117 8.44721 16.3522 5.57404 14.2811 7.55822 numMergedOcc 0
7 mol 44 unq 6 iso 0 dist 8.72535 7.89468 9.60138 11.3221 15.8359 8.49525 numMergedOcc 0
8 mol 44 unq 7 iso 0 dist 8.72535 8.44721 14.3437 10.585 19.0606 9.71891 numMergedOcc 0
9 mol 44 unq 8 iso 0 dist 8.72535 8.44721 14.3437 5.57404 13.2388 7.55822 numMergedOcc 0
10 mol 78 unq 0 iso 0 dist 7.50417 6.88471 8.84528 10.928 9.46472 9.739 numMergedOcc 0
11 mol 78 unq 1 iso 0 dist 6.75455 7.74797 12.0321 5.13304 9.84346 9.739 numMergedOcc 0
12 mol 78 unq 2 iso 0 dist 6.28063 7.74797 8.84528 5.13304 9.46472 9.739 numMergedOcc 0
13 mol 81 unq 0 iso 0 dist 9.1024 5.9013 8.74391 4.79903 5.96486 8.18695 numMergedOcc 0
14 mol 81 unq 1 iso 0 dist 9.1024 5.9013 8.74391 11.2512 13.9142 7.82027 numMergedOcc 0
15 mol 83 unq 0 iso 0 dist 9.23036 7.0847 3.9717 12.2484 11.8721 8.79457 numMergedOcc 0
16 mol 83 unq 1 iso 0 dist 9.23036 7.0847 3.9717 13.6357 10.1752 9.25264 numMergedOcc 0
17 mol 83 unq 2 iso 0 dist 7.87915 5.8981 3.9717 12.8549 11.8721 8.79457 numMergedOcc 0
18 mol 83 unq 3 iso 0 dist 7.87915 5.8981 3.9717 6.82052 10.1752 9.25264 numMergedOcc 0
19 mol 83 unq 4 iso 0 dist 6.76617 7.0847 8.24552 12.2484 12.4418 8.79457 numMergedOcc 0
20 mol 83 unq 5 iso 0 dist 6.76617 7.0847 8.24552 13.6357 17.0964 9.25264 numMergedOcc 0
21 mol 148 unq 0 iso 0 dist 8.6499 9.62458 3.78181 14.9303 10.165 9.64841 numMergedOcc 0
22 mol 150 unq 0 iso 0 dist 8.75339 9.64273 3.72958 14.8648 10.1549 9.5865 numMergedOcc 0
23 mol 167 unq 0 iso 0 dist 9.8024 9.08844 15.7623 12.4324 16.3816 6.00793 numMergedOcc 0
24 mol 283 unq 0 iso 0 dist 5.33054 5.34771 3.27256 9.63141 8.36393 7.81415 numMergedOcc 0
25 mol 283 unq 1 iso 0 dist 8.56376 9.40332 3.27256 10.2512 8.36393 7.81415 numMergedOcc 0
26 mol 286 unq 0 iso 0 dist 7.6123 6.57496 6.41589 7.22566 13.3477 9.96295 numMergedOcc 0
27 mol 286 unq 1 iso 0 dist 7.6123 6.57496 6.41589 5.79125 5.03123 8.95266 numMergedOcc 0
