0 mol 44 unq 0 iso 0 dist 4.97954 9.6925 9.96265 10.4613 7.61923 6.16718 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 9.20117 9.6925 9.70459 10.4613 5.11941 6.16718 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 8.72535 9.6925 7.78905 10.4613 5.84744 6.16718 numMergedOcc 0
3 mol 95 unq 0 iso 0 dist 7.923 4.6558 8.69069 5.91949 9.70292 7.26851 numMergedOcc 0
4 mol 95 unq 1 iso 0 dist 7.923 4.6558 8.69069 11.6631 9.59704 9.13016 numMergedOcc 0
5 mol 95 unq 2 iso 0 dist 7.923 15.9971 9.65047 5.91949 9.70292 14.2178 numMergedOcc 0
6 mol 95 unq 3 iso 0 dist 7.923 15.9971 9.65047 11.6631 9.59704 8.78079 numMergedOcc 0
7 mol 95 unq 4 iso 0 dist 8.54807 11.7964 8.69069 13.6569 9.70292 7.26851 numMergedOcc 0
8 mol 95 unq 5 iso 0 dist 8.54807 11.7964 8.69069 6.01813 9.59704 9.13016 numMergedOcc 0
9 mol 95 unq 6 iso 0 dist 8.54807 6.40193 9.65047 13.6569 9.70292 14.2178 numMergedOcc 0
10 mol 95 unq 7 iso 0 dist 8.54807 6.40193 9.65047 6.01813 9.59704 8.78079 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 9.52341 6.96368 7.91337 9.88691 5.90003 6.30721 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 9.52341 6.46673 6.40546 9.88691 5.90003 10.5082 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 8.92954 5.55345 8.01677 5.82887 9.45412 10.0888 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 8.74464 6.82985 6.31125 4.67452 9.10434 3.98662 numMergedOcc 0
15 mol 132 unq 0 iso 0 dist 7.40347 8.33357 8.7366 6.28099 9.98509 4.04586 numMergedOcc 0
16 mol 169 unq 0 iso 0 dist 6.58221 14.8472 9.46833 10.4831 6.00783 6.52671 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 7.49227 6.02375 9.07872 8.80105 7.90991 13.2135 numMergedOcc 0
18 mol 227 unq 1 iso 0 dist 8.09975 9.50847 9.07872 5.60904 7.90991 13.2135 numMergedOcc 0
19 mol 236 unq 0 iso 0 dist 9.56736 7.41111 6.11137 4.76073 9.94117 10.5937 numMergedOcc 0
20 mol 236 unq 1 iso 0 dist 9.56736 11.6152 7.89744 4.76073 9.94117 14.162 numMergedOcc 0
21 mol 237 unq 0 iso 0 dist 8.13918 7.37728 9.42743 5.00188 9.58403 11.815 numMergedOcc 0
22 mol 237 unq 1 iso 0 dist 8.13918 11.4971 9.5822 5.00188 9.58403 7.94861 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 9.22345 9.02631 9.64124 4.54051 5.72473 6.80049 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 9.22345 8.46956 9.30668 4.54051 5.72473 7.8414 numMergedOcc 0
25 mol 292 unq 2 iso 0 dist 8.99476 12.1831 5.75596 13.1392 9.7061 5.50627 numMergedOcc 0
26 mol 292 unq 3 iso 0 dist 8.99476 6.04039 9.11438 13.1392 9.7061 11.5965 numMergedOcc 0
27 mol 292 unq 4 iso 0 dist 8.99476 4.27448 8.37867 13.1392 9.7061 14.7162 numMergedOcc 0
