0 mol 30 unq 0 iso 0 dist 7.2159 5.5814 5.39896 8.51496 11.8568 8.32637 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 8.93093 5.5814 8.16648 8.51496 5.39161 8.32637 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 6.21423 9.44909 6.07691 9.45566 6.30672 4.55437 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.69443 9.59244 8.14829 7.69638 13.4649 11.1914 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 9.83906 8.86252 4.70362 5.51406 11.5684 9.13283 numMergedOcc 0
5 mol 108 unq 0 iso 0 dist 9.82453 8.77983 5.3016 9.39566 6.32505 4.53977 numMergedOcc 0
6 mol 108 unq 1 iso 0 dist 8.79452 8.77983 5.79574 9.39566 9.96318 4.53977 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.39253 7.91337 9.09785 8.4733 13.7956 5.92984 numMergedOcc 0
8 mol 119 unq 1 iso 0 dist 8.39253 6.40546 11.6714 8.4733 13.7956 7.45148 numMergedOcc 0
9 mol 119 unq 2 iso 0 dist 9.44788 8.82535 7.64443 9.34823 11.5937 6.09547 numMergedOcc 0
10 mol 119 unq 3 iso 0 dist 9.44788 6.18763 6.83988 9.34823 11.5937 5.13589 numMergedOcc 0
11 mol 119 unq 4 iso 0 dist 9.44788 8.44385 14.8957 9.34823 11.5937 10.8661 numMergedOcc 0
12 mol 119 unq 5 iso 0 dist 9.44788 5.63005 12.1168 9.34823 11.5937 12.0175 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.23615 9.50322 14.5344 6.72323 4.7146 12.538 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 6.23615 5.82404 7.96098 6.72323 4.7146 4.54648 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 8.63817 5.86531 6.73114 6.42904 9.67141 5.92062 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.13872 9.58911 5.07895 5.66363 9.21613 11.85 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 8.9297 9.83721 13.2456 8.4302 11.0338 5.754 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 9.4886 5.73834 8.31011 8.63176 8.01004 5.63675 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 8.26851 6.55855 13.002 9.11072 16.1916 6.16703 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 8.26851 6.55855 13.002 6.83113 10.6481 5.64601 numMergedOcc 0
21 mol 274 unq 2 iso 0 dist 8.26851 6.55855 13.002 9.44134 16.3797 6.52035 numMergedOcc 0
22 mol 274 unq 3 iso 0 dist 8.26851 9.52894 17.6855 9.11072 16.1916 6.40141 numMergedOcc 0
23 mol 274 unq 4 iso 0 dist 8.26851 9.52894 17.6855 6.83113 10.6481 10.5941 numMergedOcc 0
24 mol 274 unq 5 iso 0 dist 8.26851 9.52894 17.6855 9.44134 16.3797 5.71192 numMergedOcc 0
25 mol 274 unq 6 iso 0 dist 8.14634 6.55855 10.2307 9.11072 14.7933 6.16703 numMergedOcc 0
26 mol 274 unq 7 iso 0 dist 8.14634 6.55855 10.2307 6.83113 7.09841 5.64601 numMergedOcc 0
27 mol 274 unq 8 iso 0 dist 8.14634 6.55855 10.2307 9.44134 13.8495 6.52035 numMergedOcc 0
28 mol 274 unq 9 iso 0 dist 8.14634 9.52894 16.0912 9.11072 14.7933 6.40141 numMergedOcc 0
29 mol 274 unq 10 iso 0 dist 8.14634 9.52894 16.0912 6.83113 7.09841 10.5941 numMergedOcc 0
30 mol 274 unq 11 iso 0 dist 8.14634 9.52894 16.0912 9.44134 13.8495 5.71192 numMergedOcc 0
31 mol 287 unq 0 iso 0 dist 8.34389 7.26542 6.29899 8.42076 13.6869 13.2859 numMergedOcc 0
32 mol 288 unq 0 iso 0 dist 8.34389 7.26542 6.29899 8.42076 13.6869 13.2859 numMergedOcc 0
33 mol 289 unq 0 iso 0 dist 8.34389 7.26542 6.29899 8.42076 13.6869 13.2859 numMergedOcc 0
