0 mol 85 unq 0 iso 0 dist 9.27456 4.39271 6.00564 11.847 6.62562 8.00777 9.86038 7.59896 5.72961 5.76272 numMergedOcc 0
1 mol 85 unq 1 iso 0 dist 9.27456 4.39271 6.00564 9.89682 5.46695 7.1589 9.86038 7.59896 5.72961 8.18948 numMergedOcc 0
2 mol 92 unq 0 iso 0 dist 9.98606 7.07175 9.93806 7.5819 5.44942 8.65802 7.33353 8.53624 7.87729 10.3949 numMergedOcc 0
3 mol 119 unq 0 iso 0 dist 6.29634 9.79485 8.81779 8.44385 4.55137 7.99857 16.3727 13.139 7.62197 10.4816 numMergedOcc 0
4 mol 119 unq 1 iso 0 dist 6.29634 9.79485 8.81779 5.63005 6.42493 8.56342 16.3727 13.139 7.62197 13.2169 numMergedOcc 0
5 mol 162 unq 0 iso 0 dist 8.99034 5.5367 6.00293 9.97921 5.05715 6.20182 13.6695 5.77936 9.56342 4.51281 numMergedOcc 0
6 mol 163 unq 0 iso 0 dist 6.54995 6.56076 7.27002 11.6021 10.1139 8.38738 11.461 7.82355 9.40912 4.2768 numMergedOcc 0
7 mol 163 unq 1 iso 0 dist 5.27374 9.55758 7.27002 13.0625 10.1139 8.38738 11.4568 7.82355 9.40912 4.2768 numMergedOcc 0
8 mol 175 unq 0 iso 0 dist 8.49856 6.61278 6.59925 12.4261 13.4456 8.0154 11.389 3.46183 7.6741 13.8965 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 8.71602 10.2652 7.9637 12.8417 6.67453 7.28841 13.2557 5.18849 7.88501 4.02821 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 8.71602 10.2652 7.9637 12.8417 6.67453 7.28841 16.348 10.0163 9.09585 10.619 numMergedOcc 0
11 mol 205 unq 0 iso 0 dist 8.25305 8.4512 6.61806 16.8184 12.2848 8.44861 10.1566 5.73483 5.19567 9.96193 numMergedOcc 0
12 mol 205 unq 1 iso 0 dist 8.25305 8.4512 6.61806 12.7788 9.41884 5.60393 10.1566 5.73483 5.19567 4.30308 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 6.02521 5.68266 6.45821 11.7899 7.79008 8.0751 7.68062 3.33782 5.4621 6.24608 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 6.02521 5.68266 6.45821 11.7899 7.79008 8.0751 10.7563 9.06704 8.91819 12.235 numMergedOcc 0
15 mol 230 unq 0 iso 0 dist 8.74988 4.97784 7.81987 11.3536 10.3804 6.41286 6.99256 3.28958 6.31092 10.043 numMergedOcc 0
