0 mol 48 unq 0 iso 0 dist 6.72531 8.05728 9.66389 9.57046 13.5738 9.40644 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.72531 8.05728 9.66389 4.91237 9.04514 5.35252 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 9.66898 8.55004 4.9987 7.24502 12.9167 8.84151 numMergedOcc 0
3 mol 71 unq 0 iso 0 dist 9.44364 7.28815 4.29097 10.1018 12.1922 8.92529 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 9.57953 6.36357 7.3651 10.4989 8.75165 6.79959 numMergedOcc 0
5 mol 123 unq 0 iso 0 dist 8.71274 7.15869 10.835 8.29205 16.8579 9.92281 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 9.16999 5.52891 5.88232 6.87376 10.7696 5.83719 numMergedOcc 0
7 mol 129 unq 0 iso 0 dist 9.0455 7.13958 5.0466 4.74644 6.65878 7.6453 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 8.883 7.16287 7.68244 4.21327 10.6 6.94745 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.64946 9.96416 12.9286 5.9683 11.9103 5.79195 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 8.64946 7.17051 5.57746 5.9683 11.9103 9.2759 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 8.64946 5.9962 9.5993 5.9683 11.9103 8.76088 numMergedOcc 0
12 mol 139 unq 0 iso 0 dist 8.49892 5.77343 4.94393 4.19005 9.71665 8.78382 numMergedOcc 0
13 mol 165 unq 0 iso 0 dist 7.65047 8.68956 5.1134 8.88567 10.012 8.7235 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 8.59783 6.20851 5.24208 5.93953 10.0089 6.19457 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 7.4839 8.49376 11.6953 8.23203 13.0183 7.98755 numMergedOcc 0
16 mol 176 unq 1 iso 0 dist 8.13465 8.49376 11.8339 8.23203 15.59 7.98755 numMergedOcc 0
17 mol 176 unq 2 iso 0 dist 9.09742 8.49376 6.4738 8.23203 11.9467 7.98755 numMergedOcc 0
18 mol 176 unq 3 iso 0 dist 9.94201 6.9705 6.4738 4.84752 11.9467 7.98755 numMergedOcc 0
19 mol 187 unq 0 iso 0 dist 7.81168 5.82577 8.91643 10.7172 13.7054 5.58167 numMergedOcc 0
20 mol 187 unq 1 iso 0 dist 7.81168 5.82577 8.91643 4.75665 7.87608 8.0501 numMergedOcc 0
21 mol 188 unq 0 iso 0 dist 9.5523 8.94864 9.44575 9.77899 13.5626 8.1907 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 9.80584 8.86627 4.65303 8.61606 5.21088 7.36571 numMergedOcc 0
23 mol 192 unq 1 iso 0 dist 9.80584 8.86627 4.65303 4.25327 12.3136 9.80122 numMergedOcc 0
24 mol 192 unq 2 iso 0 dist 9.80584 8.86627 4.65303 4.97164 8.25609 9.17137 numMergedOcc 0
25 mol 192 unq 3 iso 0 dist 7.95713 9.10569 4.65303 5.41356 5.21088 7.36571 numMergedOcc 0
26 mol 192 unq 4 iso 0 dist 7.95713 9.10569 4.65303 8.1874 12.3136 9.80122 numMergedOcc 0
27 mol 192 unq 5 iso 0 dist 7.95713 9.10569 4.65303 4.87986 8.25609 9.17137 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 9.37229 7.54614 6.92911 12.983 15.606 8.74399 numMergedOcc 0
29 mol 243 unq 0 iso 0 dist 8.28347 7.93817 5.80426 4.73439 9.58608 7.70472 numMergedOcc 0
30 mol 243 unq 1 iso 0 dist 8.28347 7.93817 5.80426 9.17097 11.4335 9.16988 numMergedOcc 0
31 mol 246 unq 0 iso 0 dist 4.82671 7.63397 9.48524 6.06278 10.3312 8.16617 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 8.37512 9.52903 11.3847 5.66907 12.5673 8.10903 numMergedOcc 0
33 mol 258 unq 1 iso 0 dist 8.37512 9.52903 11.3847 9.6053 13.6155 7.25618 numMergedOcc 0
34 mol 259 unq 0 iso 0 dist 7.34794 8.06908 6.92619 5.99165 11.0717 8.54422 numMergedOcc 0
35 mol 259 unq 1 iso 0 dist 7.34794 8.06908 6.92619 4.78344 10.5924 7.67473 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 9.71346 9.81689 6.58111 10.531 13.361 7.52632 numMergedOcc 0
37 mol 266 unq 0 iso 0 dist 5.43053 7.51446 10.3939 9.47559 14.6641 9.39714 numMergedOcc 0
38 mol 285 unq 0 iso 0 dist 8.12306 5.76796 6.37482 11.2606 13.5396 7.872 numMergedOcc 0
39 mol 285 unq 1 iso 0 dist 8.12306 5.76796 6.37482 8.7778 7.38536 6.32984 numMergedOcc 0
40 mol 287 unq 0 iso 0 dist 9.39409 6.76192 5.66584 8.37461 7.3388 6.96774 numMergedOcc 0
41 mol 287 unq 1 iso 0 dist 9.39409 6.76192 5.66584 4.03583 6.96248 7.14859 numMergedOcc 0
42 mol 288 unq 0 iso 0 dist 9.39409 6.76192 5.66584 8.37461 7.3388 6.96774 numMergedOcc 0
43 mol 288 unq 1 iso 0 dist 9.39409 6.76192 5.66584 4.03583 6.96248 7.14859 numMergedOcc 0
44 mol 289 unq 0 iso 0 dist 9.39409 6.76192 5.66584 8.37461 7.3388 6.96774 numMergedOcc 0
45 mol 289 unq 1 iso 0 dist 9.39409 6.76192 5.66584 4.03583 6.96248 7.14859 numMergedOcc 0
46 mol 294 unq 0 iso 0 dist 8.89372 5.71656 10.8049 8.43044 16.8417 9.22572 numMergedOcc 0
