0 mol 9 unq 0 iso 0 dist 9.9919 5.95912 6.20227 15.4961 10.6533 9.78006 7.74667 7.38017 3.98483 8.57077 numMergedOcc 0
1 mol 56 unq 0 iso 0 dist 7.11102 7.39536 7.3576 14.0262 11.2895 6.77886 10.6836 12.3361 6.03623 8.66265 numMergedOcc 0
2 mol 56 unq 1 iso 0 dist 8.48054 11.4735 7.3576 17.7498 11.2895 6.77886 14.4685 12.3361 6.03623 8.66265 numMergedOcc 0
3 mol 85 unq 0 iso 0 dist 9.27456 4.39271 6.00564 11.847 6.62562 8.00777 5.8457 8.81824 5.08358 7.95579 numMergedOcc 0
4 mol 85 unq 1 iso 0 dist 9.27456 4.39271 6.00564 9.89682 5.46695 7.1589 4.49 8.77199 6.37974 7.97049 numMergedOcc 0
5 mol 85 unq 2 iso 0 dist 9.27456 4.39271 6.00564 9.89682 5.46695 7.1589 5.8457 8.81824 5.08358 6.19965 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 6.29634 9.79485 8.81779 8.44385 4.55137 7.99857 12.1192 8.20715 7.61939 9.87172 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 6.29634 9.79485 8.81779 5.63005 6.42493 8.56342 10.5268 11.8946 4.91132 8.73993 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.49856 6.61278 6.59925 12.4261 13.4456 8.0154 4.27736 6.62757 4.24624 9.29945 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 8.25305 8.4512 6.61806 16.8184 12.2848 8.44861 12.7745 11.394 5.28092 6.03031 numMergedOcc 0
10 mol 205 unq 1 iso 0 dist 8.25305 8.4512 6.61806 12.7788 9.41884 5.60393 12.7745 11.394 5.28092 7.26832 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 9.05875 11.6166 7.48626 17.1928 10.2428 6.38157 16.2458 14.454 7.38025 9.65138 numMergedOcc 0
12 mol 214 unq 1 iso 0 dist 9.05875 11.6166 7.48626 17.1928 10.2428 6.38157 20.7666 15.5922 9.35273 7.14453 numMergedOcc 0
13 mol 214 unq 2 iso 0 dist 9.05875 11.6166 7.48626 17.1928 10.2428 6.38157 13.0383 11.1906 5.63388 8.85478 numMergedOcc 0
14 mol 227 unq 0 iso 0 dist 8.99259 7.06191 9.94302 9.96308 13.798 8.38865 9.04956 10.1659 11.0628 7.22101 numMergedOcc 0
15 mol 227 unq 1 iso 0 dist 8.99259 7.06191 9.94302 9.96308 13.798 8.38865 10.1896 14.039 12.9587 7.09863 numMergedOcc 0
16 mol 227 unq 2 iso 0 dist 8.99259 7.06191 9.94302 9.95674 10.9445 5.4694 9.04956 10.1659 11.0628 8.65997 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 8.74988 4.97784 7.81987 11.3536 10.3804 6.41286 9.38369 13.259 6.20661 6.7547 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 8.4485 4.88527 8.65191 10.6749 9.34197 6.70815 12.227 12.9131 7.42673 6.60405 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 8.4485 4.88527 8.65191 11.4077 8.40328 7.99477 12.227 12.9131 7.42673 6.42289 numMergedOcc 0
