0 mol 48 unq 0 iso 0 dist 6.72531 8.05728 9.66389 5.05927 11.1779 7.38928 9.57046 13.5738 9.40644 8.74683 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.72531 8.05728 9.66389 5.05927 11.1779 7.38928 4.91237 9.04514 5.35252 5.03338 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 9.66898 8.55004 4.9987 11.5172 13.9599 9.4097 7.24502 12.9167 8.84151 6.20413 numMergedOcc 0
3 mol 127 unq 0 iso 0 dist 9.16999 5.52891 5.88232 3.94367 13.1077 8.98151 6.87376 10.7696 5.83719 8.21735 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 9.0455 7.13958 5.0466 4.99299 8.63018 7.07421 4.74644 6.65878 7.6453 5.06265 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 8.64946 9.96416 12.9286 8.58899 12.0133 9.07294 5.9683 11.9103 5.79195 5.35551 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.64946 7.17051 5.57746 5.80658 5.68599 5.12189 5.9683 11.9103 9.2759 10.8516 numMergedOcc 0
7 mol 133 unq 2 iso 0 dist 8.64946 7.17051 5.57746 8.58899 12.0133 7.50126 5.9683 11.9103 9.2759 5.35551 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 8.59783 6.20851 5.24208 14.0871 10.111 9.47945 5.93953 10.0089 6.19457 10.2353 numMergedOcc 0
9 mol 226 unq 0 iso 0 dist 9.37229 7.54614 6.92911 9.97507 8.10096 7.20862 12.983 15.606 8.74399 12.3908 numMergedOcc 0
10 mol 258 unq 0 iso 0 dist 8.37512 9.52903 11.3847 13.2258 16.651 6.08181 5.66907 12.5673 8.10903 10.8957 numMergedOcc 0
11 mol 258 unq 1 iso 0 dist 8.37512 9.52903 11.3847 13.2258 16.651 6.08181 9.6053 13.6155 7.25618 11.0025 numMergedOcc 0
12 mol 258 unq 2 iso 0 dist 8.37512 9.52903 11.3847 3.95075 10.6148 7.70189 5.66907 12.5673 8.10903 5.27718 numMergedOcc 0
13 mol 258 unq 3 iso 0 dist 8.37512 9.52903 11.3847 3.95075 10.6148 7.70189 9.6053 13.6155 7.25618 9.46467 numMergedOcc 0
14 mol 259 unq 0 iso 0 dist 7.34794 8.06908 6.92619 7.10624 7.97113 8.91916 5.99165 11.0717 8.54422 6.40534 numMergedOcc 0
15 mol 259 unq 1 iso 0 dist 7.34794 8.06908 6.92619 7.10624 7.97113 8.91916 4.78344 10.5924 7.67473 9.57286 numMergedOcc 0
16 mol 259 unq 2 iso 0 dist 7.34794 8.06908 6.92619 5.09929 5.22111 4.55368 5.99165 11.0717 8.54422 6.14631 numMergedOcc 0
17 mol 259 unq 3 iso 0 dist 7.34794 8.06908 6.92619 5.09929 5.22111 4.55368 4.78344 10.5924 7.67473 6.89689 numMergedOcc 0
18 mol 265 unq 0 iso 0 dist 9.71346 9.81689 6.58111 12.7023 15.1921 9.50814 10.531 13.361 7.52632 3.89234 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 5.43053 7.51446 10.3939 8.18304 11.8868 8.12204 9.47559 14.6641 9.39714 5.91091 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 9.39409 6.76192 5.66584 4.157 12.4464 8.0935 8.37461 7.3388 6.96774 10.4601 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 9.39409 6.76192 5.66584 4.157 12.4464 8.0935 4.03583 6.96248 7.14859 8.13485 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 9.39409 6.76192 5.66584 4.157 12.4464 8.0935 8.37461 7.3388 6.96774 10.4601 numMergedOcc 0
23 mol 288 unq 1 iso 0 dist 9.39409 6.76192 5.66584 4.157 12.4464 8.0935 4.03583 6.96248 7.14859 8.13485 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 9.39409 6.76192 5.66584 4.157 12.4464 8.0935 8.37461 7.3388 6.96774 10.4601 numMergedOcc 0
25 mol 289 unq 1 iso 0 dist 9.39409 6.76192 5.66584 4.157 12.4464 8.0935 4.03583 6.96248 7.14859 8.13485 numMergedOcc 0
