0 mol 2 unq 0 iso 0 dist 6.89072 9.78005 10.5078 8.35692 7.2721 16.1725 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 7.17695 9.33207 3.39356 5.17224 7.47395 9.78752 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 7.25138 8.7531 14.2375 6.13411 4.46067 14.2729 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.7399 7.29864 11.8229 12.6706 8.10623 17.6951 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 7.33353 8.55622 3.20461 6.21004 8.55237 11.27 numMergedOcc 0
5 mol 93 unq 0 iso 0 dist 7.54391 5.10693 10.4844 14.4533 9.66837 17.7956 numMergedOcc 0
6 mol 93 unq 1 iso 0 dist 7.54391 6.58814 10.3262 14.4533 9.66837 16.8842 numMergedOcc 0
7 mol 93 unq 2 iso 0 dist 7.54391 6.13459 5.02964 14.4533 9.66837 11.5475 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 9.58434 9.16089 5.7181 3.71884 9.31385 6.98791 numMergedOcc 0
9 mol 120 unq 1 iso 0 dist 9.16089 9.58434 5.7181 8.9188 7.84207 11.8836 numMergedOcc 0
10 mol 120 unq 2 iso 0 dist 9.16089 9.58434 5.7181 3.71884 6.98791 9.31385 numMergedOcc 0
11 mol 168 unq 0 iso 0 dist 8.97414 8.00063 8.38976 7.13766 5.86767 8.89343 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 7.50458 5.79554 5.23644 4.24401 5.10589 4.63336 numMergedOcc 0
13 mol 169 unq 1 iso 0 dist 7.50458 4.22003 7.52063 4.24401 5.10589 6.10715 numMergedOcc 0
14 mol 169 unq 2 iso 0 dist 5.79554 7.50458 5.23644 4.24401 4.63336 5.10589 numMergedOcc 0
15 mol 169 unq 3 iso 0 dist 5.79554 4.22003 3.74306 4.24401 4.63336 6.10715 numMergedOcc 0
16 mol 169 unq 4 iso 0 dist 4.22003 7.50458 7.52063 4.24401 6.10715 5.10589 numMergedOcc 0
17 mol 169 unq 5 iso 0 dist 4.22003 5.79554 3.74306 4.24401 6.10715 4.63336 numMergedOcc 0
18 mol 176 unq 0 iso 0 dist 7.26558 8.51811 3.17744 3.58164 6.85902 9.09371 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 7.64079 9.33969 9.65274 6.09979 9.64861 13.0403 numMergedOcc 0
20 mol 260 unq 0 iso 0 dist 7.88108 9.46576 9.93488 3.43711 7.04263 11.9844 numMergedOcc 0
21 mol 260 unq 1 iso 0 dist 7.88108 9.46576 9.93488 8.84611 6.48099 9.01781 numMergedOcc 0
22 mol 260 unq 2 iso 0 dist 9.46576 7.88108 9.93488 3.48905 8.62655 9.66527 numMergedOcc 0
23 mol 277 unq 0 iso 0 dist 8.72101 8.75619 3.75238 14.313 7.98956 11.2004 numMergedOcc 0
24 mol 277 unq 1 iso 0 dist 8.72101 8.75619 3.75238 13.2017 5.86185 8.41856 numMergedOcc 0
25 mol 277 unq 2 iso 0 dist 8.72101 8.75619 3.75238 10.3346 6.79748 6.53598 numMergedOcc 0
26 mol 277 unq 3 iso 0 dist 8.75619 8.72101 3.75238 10.3346 6.53598 6.79748 numMergedOcc 0
27 mol 277 unq 4 iso 0 dist 5.11998 5.79925 3.75238 7.31817 7.98956 11.2004 numMergedOcc 0
28 mol 277 unq 5 iso 0 dist 5.11998 5.79925 3.75238 3.91224 5.86185 8.41856 numMergedOcc 0
29 mol 277 unq 6 iso 0 dist 5.11998 5.79925 3.75238 10.8296 6.79748 6.53598 numMergedOcc 0
30 mol 277 unq 7 iso 0 dist 5.79925 5.11998 3.75238 10.8296 6.53598 6.79748 numMergedOcc 0
31 mol 281 unq 0 iso 0 dist 6.82918 4.29351 3.77058 13.5758 7.90368 9.46544 numMergedOcc 0
32 mol 281 unq 1 iso 0 dist 6.82918 4.29351 3.77058 7.74065 6.69267 6.56886 numMergedOcc 0
33 mol 281 unq 2 iso 0 dist 4.29351 6.82918 3.77058 3.50686 5.33372 8.70938 numMergedOcc 0
34 mol 281 unq 3 iso 0 dist 4.29351 6.82918 3.77058 7.74065 6.56886 6.69267 numMergedOcc 0
35 mol 283 unq 0 iso 0 dist 8.85163 9.35302 13.4236 9.87139 7.31132 13.2763 numMergedOcc 0
36 mol 287 unq 0 iso 0 dist 7.84189 9.1471 9.30266 9.51119 4.68668 12.9723 numMergedOcc 0
37 mol 288 unq 0 iso 0 dist 7.84189 9.1471 9.30266 9.51119 4.68668 12.9723 numMergedOcc 0
38 mol 289 unq 0 iso 0 dist 7.84189 9.1471 9.30266 9.51119 4.68668 12.9723 numMergedOcc 0
