0 mol 7 unq 0 iso 0 dist 6.36911 10.2446 7.45262 5.03847 9.97624 10.1959 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.36911 12.3097 6.96586 5.03847 9.97624 13.9514 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 9.36807 5.44992 7.45262 13.8829 9.97624 10.1959 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 9.36807 4.74523 6.96586 13.8829 9.97624 13.9514 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.47421 3.98483 8.04924 9.5997 9.57198 7.28672 numMergedOcc 0
5 mol 39 unq 0 iso 0 dist 7.33969 11.962 8.19733 7.401 6.24515 5.14532 numMergedOcc 0
6 mol 45 unq 0 iso 0 dist 6.99408 6.18811 7.95778 8.26635 7.21995 6.19841 numMergedOcc 0
7 mol 45 unq 1 iso 0 dist 6.99408 6.18811 7.95778 13.4503 9.62637 10.493 numMergedOcc 0
8 mol 45 unq 2 iso 0 dist 9.3403 6.67086 7.95778 5.05051 7.21995 6.19841 numMergedOcc 0
9 mol 45 unq 3 iso 0 dist 9.3403 6.67086 7.95778 10.6148 9.62637 10.493 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 8.63333 6.89191 7.93481 10.2049 9.11258 13.9844 numMergedOcc 0
11 mol 58 unq 1 iso 0 dist 8.89374 11.0355 7.93481 5.49591 9.11258 13.9844 numMergedOcc 0
12 mol 58 unq 2 iso 0 dist 6.46761 11.3547 7.93481 5.85698 9.11258 13.9844 numMergedOcc 0
13 mol 58 unq 3 iso 0 dist 9.73139 11.9834 7.93481 12.2123 9.11258 13.9844 numMergedOcc 0
14 mol 74 unq 0 iso 0 dist 8.96501 4.79817 4.79413 8.1988 8.48471 5.74282 numMergedOcc 0
15 mol 90 unq 0 iso 0 dist 8.39016 8.89062 7.54496 9.60325 9.56752 6.44963 numMergedOcc 0
16 mol 90 unq 1 iso 0 dist 6.99355 10.1287 7.54496 7.25602 9.56752 6.44963 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 5.81965 5.7134 9.28578 8.55834 7.1539 7.75408 numMergedOcc 0
18 mol 92 unq 1 iso 0 dist 5.81965 5.7134 9.28578 9.50382 5.39745 12.1199 numMergedOcc 0
19 mol 92 unq 2 iso 0 dist 7.06013 4.24513 9.28578 8.51055 7.1539 7.75408 numMergedOcc 0
20 mol 92 unq 3 iso 0 dist 7.06013 4.24513 9.28578 11.3858 5.39745 12.1199 numMergedOcc 0
21 mol 92 unq 4 iso 0 dist 9.70512 10.7874 9.28578 7.76866 7.1539 7.75408 numMergedOcc 0
22 mol 92 unq 5 iso 0 dist 9.70512 10.7874 9.28578 7.56363 5.39745 12.1199 numMergedOcc 0
23 mol 114 unq 0 iso 0 dist 6.73814 5.6074 8.11094 13.7032 9.83981 11.4429 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 6.99777 7.3094 9.9928 5.22052 5.60389 9.18958 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 7.39889 4.91594 9.05798 5.92984 7.26955 7.34151 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 7.39889 9.3046 5.85818 5.92984 7.26955 11.7884 numMergedOcc 0
27 mol 119 unq 2 iso 0 dist 9.63176 12.7179 9.05798 15.5019 7.26955 7.34151 numMergedOcc 0
28 mol 119 unq 3 iso 0 dist 9.63176 4.91132 5.85818 15.5019 7.26955 11.7884 numMergedOcc 0
29 mol 119 unq 4 iso 0 dist 7.44174 9.15779 9.05798 10.314 7.26955 7.34151 numMergedOcc 0
30 mol 119 unq 5 iso 0 dist 7.44174 7.61939 5.85818 10.314 7.26955 11.7884 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 7.92688 8.6769 9.4062 5.92062 6.51868 4.35684 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 7.92688 8.6769 9.4062 6.61891 7.34698 11.668 numMergedOcc 0
33 mol 143 unq 0 iso 0 dist 7.31468 6.41287 8.1582 10.0059 6.46089 11.5146 numMergedOcc 0
34 mol 143 unq 1 iso 0 dist 7.31468 7.11704 7.88655 10.0059 6.46089 6.60479 numMergedOcc 0
35 mol 143 unq 2 iso 0 dist 7.7056 11.488 8.1582 8.57817 6.46089 11.5146 numMergedOcc 0
36 mol 143 unq 3 iso 0 dist 7.7056 9.53139 7.88655 8.57817 6.46089 6.60479 numMergedOcc 0
37 mol 156 unq 0 iso 0 dist 6.88137 7.7635 7.04913 6.14767 7.30946 8.40261 numMergedOcc 0
38 mol 173 unq 0 iso 0 dist 7.93331 6.65184 7.54706 6.14414 8.41245 9.77146 numMergedOcc 0
39 mol 173 unq 1 iso 0 dist 7.93331 6.65184 7.54706 4.72839 6.64779 9.43677 numMergedOcc 0
40 mol 173 unq 2 iso 0 dist 6.98095 4.68119 7.54706 5.27321 8.41245 9.77146 numMergedOcc 0
41 mol 173 unq 3 iso 0 dist 6.98095 4.68119 7.54706 8.07089 6.64779 9.43677 numMergedOcc 0
42 mol 173 unq 4 iso 0 dist 8.31897 6.6407 7.54706 10.8609 8.41245 9.77146 numMergedOcc 0
43 mol 173 unq 5 iso 0 dist 8.31897 6.6407 7.54706 5.70743 6.64779 9.43677 numMergedOcc 0
44 mol 181 unq 0 iso 0 dist 7.13543 5.93488 9.52987 5.77299 6.32777 11.1881 numMergedOcc 0
45 mol 181 unq 1 iso 0 dist 7.98142 9.92777 5.49808 5.63555 5.97685 6.12563 numMergedOcc 0
46 mol 181 unq 2 iso 0 dist 7.37327 9.92777 7.96291 5.63555 8.9289 6.12563 numMergedOcc 0
47 mol 188 unq 0 iso 0 dist 6.90541 5.48276 7.48284 10.5721 9.33696 5.87427 numMergedOcc 0
48 mol 192 unq 0 iso 0 dist 8.36822 7.0057 8.53433 8.49529 7.33225 3.86183 numMergedOcc 0
49 mol 227 unq 0 iso 0 dist 8.17891 10.5813 7.1372 10.9607 7.57454 4.59123 numMergedOcc 0
50 mol 227 unq 1 iso 0 dist 6.95902 7.22396 7.1372 9.72615 7.57454 4.59123 numMergedOcc 0
51 mol 235 unq 0 iso 0 dist 9.58736 15.0089 9.31673 15.6327 7.31773 5.92143 numMergedOcc 0
52 mol 235 unq 1 iso 0 dist 9.43058 11.1908 9.31673 10.632 7.31773 5.92143 numMergedOcc 0
53 mol 235 unq 2 iso 0 dist 8.75735 7.87789 9.31673 6.01041 7.31773 5.92143 numMergedOcc 0
54 mol 235 unq 3 iso 0 dist 6.98084 11.5211 9.31673 6.82855 7.31773 5.92143 numMergedOcc 0
55 mol 235 unq 4 iso 0 dist 7.32211 6.65703 9.31673 6.46722 7.31773 5.92143 numMergedOcc 0
56 mol 259 unq 0 iso 0 dist 7.48005 5.60748 6.39918 8.81835 8.71497 6.31909 numMergedOcc 0
57 mol 259 unq 1 iso 0 dist 8.37865 7.31951 6.39918 8.75685 8.71497 6.31909 numMergedOcc 0
58 mol 264 unq 0 iso 0 dist 9.5784 8.45726 6.5422 7.52936 7.34094 6.67381 numMergedOcc 0
