0 mol 0 unq 0 iso 0 dist 9.5614 5.25456 7.15528 11.6505 9.07223 6.40255 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 5.55156 7.1599 7.15528 11.6051 9.07223 6.40255 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 6.22892 7.15287 8.41585 10.8958 6.28925 10.6847 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 5.83658 10.826 9.60499 6.32562 7.60712 14.0261 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 6.85331 9.20254 6.86014 10.5087 9.61998 7.72775 numMergedOcc 0
5 mol 51 unq 0 iso 0 dist 9.06397 12.8917 9.0709 10.6512 7.52921 11.0025 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 15.9568 9.79143 7.9151 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 5.79954 14.1415 9.38498 9.17056 9.33919 15.9091 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 5.79954 12.8388 9.96396 9.17056 9.33919 7.9151 numMergedOcc 0
9 mol 73 unq 3 iso 0 dist 5.79954 9.65653 9.75218 9.17056 9.33919 5.44172 numMergedOcc 0
10 mol 73 unq 4 iso 0 dist 7.01889 7.9573 9.38498 11.4821 9.33919 15.9091 numMergedOcc 0
11 mol 73 unq 5 iso 0 dist 7.01889 15.0744 9.96396 11.4821 9.33919 7.9151 numMergedOcc 0
12 mol 73 unq 6 iso 0 dist 7.01889 8.11922 9.75218 11.4821 9.33919 5.44172 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 9.22376 5.75796 7.47541 14.1505 5.62635 10.4545 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 9.22376 5.75796 7.47541 10.2046 7.07868 9.87083 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 9.22376 3.85308 7.66905 14.1505 5.62635 12.3178 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 9.22376 3.85308 7.66905 10.2046 7.07868 11.3372 numMergedOcc 0
17 mol 85 unq 4 iso 0 dist 9.22376 9.77828 5.73196 14.1505 5.62635 7.43006 numMergedOcc 0
18 mol 85 unq 5 iso 0 dist 9.22376 9.77828 5.73196 10.2046 7.07868 4.60756 numMergedOcc 0
19 mol 132 unq 0 iso 0 dist 6.2403 6.04014 7.7059 11.1034 7.19937 10.8443 numMergedOcc 0
20 mol 132 unq 1 iso 0 dist 6.495 10.0823 7.7059 5.90885 7.19937 10.8443 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 6.73365 5.73338 5.6234 11.7576 8.03727 8.19969 numMergedOcc 0
22 mol 175 unq 1 iso 0 dist 6.73365 12.753 9.92231 11.7576 8.03727 5.33769 numMergedOcc 0
23 mol 206 unq 0 iso 0 dist 8.73396 6.35321 7.7366 8.41452 5.52084 9.81596 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 8.07523 13.3929 6.18308 11.8205 9.08674 7.86189 numMergedOcc 0
25 mol 210 unq 1 iso 0 dist 7.56882 12.3088 6.18308 9.55005 9.08674 7.86189 numMergedOcc 0
26 mol 230 unq 0 iso 0 dist 8.33847 7.37154 6.7547 6.02175 5.31963 4.98428 numMergedOcc 0
27 mol 230 unq 1 iso 0 dist 9.12305 9.0274 6.7547 4.76236 5.31963 4.98428 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 9.26156 7.10801 7.00034 6.05017 6.09177 6.41859 numMergedOcc 0
29 mol 239 unq 1 iso 0 dist 9.26156 7.10801 7.00034 13.1566 7.18198 9.00586 numMergedOcc 0
30 mol 239 unq 2 iso 0 dist 9.27989 12.1502 6.16342 8.44407 5.45139 4.86449 numMergedOcc 0
31 mol 256 unq 0 iso 0 dist 8.43264 6.19628 8.29103 15.3547 9.72168 12.0476 numMergedOcc 0
