0 mol 18 unq 0 iso 0 dist 8.24798 4.49033 8.95294 12.7898 14.2239 8.80193 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 8.02079 4.49033 7.19022 12.7898 9.66486 8.80193 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.62527 10.7581 9.03539 8.99751 10.4631 7.22361 numMergedOcc 0
3 mol 32 unq 0 iso 0 dist 7.6082 9.76176 6.76514 11.3939 5.31805 4.62858 numMergedOcc 0
4 mol 32 unq 1 iso 0 dist 9.24687 8.89775 6.76514 10.8692 5.31805 4.62858 numMergedOcc 0
5 mol 45 unq 0 iso 0 dist 8.66843 6.13812 7.62709 10.7145 7.29857 5.55096 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 8.34361 8.98505 8.41365 4.38047 5.01159 6.30987 numMergedOcc 0
7 mol 59 unq 0 iso 0 dist 5.68841 5.85924 7.37607 12.9701 9.31682 9.2902 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 7.75769 9.33131 7.37607 16.0758 9.31682 9.2902 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 9.03472 14.1474 7.36397 13.4254 4.665 6.72712 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 9.03472 12.8333 6.58062 9.7872 5.47738 7.1539 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 9.03472 12.8333 6.58062 13.4254 4.665 5.39745 numMergedOcc 0
12 mol 92 unq 3 iso 0 dist 9.40274 15.6773 7.36397 13.8011 4.665 6.72712 numMergedOcc 0
13 mol 92 unq 4 iso 0 dist 9.40274 14.5544 6.58062 10.2815 5.47738 7.1539 numMergedOcc 0
14 mol 92 unq 5 iso 0 dist 9.40274 14.5544 6.58062 13.8011 4.665 5.39745 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 5.87592 5.46352 8.77794 6.66022 5.16645 5.60389 numMergedOcc 0
16 mol 115 unq 1 iso 0 dist 8.37388 10.3995 8.77794 11.2341 5.16645 5.60389 numMergedOcc 0
17 mol 116 unq 0 iso 0 dist 8.51507 5.79458 9.88812 7.6005 7.11876 6.49383 numMergedOcc 0
18 mol 116 unq 1 iso 0 dist 8.22285 9.91115 9.88812 8.7583 7.11876 6.49383 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 9.51041 6.33235 9.21278 7.98682 5.81919 9.19117 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 9.99964 4.24915 7.88787 5.97968 7.23046 5.95304 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 6.93144 4.20499 7.88787 8.50382 7.23046 5.95304 numMergedOcc 0
22 mol 181 unq 2 iso 0 dist 7.04782 6.39513 7.88787 10.547 7.23046 5.95304 numMergedOcc 0
23 mol 181 unq 3 iso 0 dist 9.14877 10.9006 9.7281 13.401 12.6646 8.9289 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 9.39697 4.04021 9.75763 8.13947 6.45756 9.82588 numMergedOcc 0
25 mol 195 unq 1 iso 0 dist 6.9612 5.6158 6.52001 11.6067 5.65165 9.82588 numMergedOcc 0
26 mol 195 unq 2 iso 0 dist 4.86882 4.04021 6.52001 8.13947 5.65165 9.82588 numMergedOcc 0
27 mol 232 unq 0 iso 0 dist 8.21479 6.17401 8.94854 9.41148 13.3182 7.10413 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 7.32196 4.81145 6.19514 11.9862 13.5391 8.09718 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 7.32196 4.81145 6.19514 11.4318 9.75263 6.73446 numMergedOcc 0
30 mol 253 unq 0 iso 0 dist 8.11437 8.75798 6.52138 9.69704 5.01342 9.58354 numMergedOcc 0
31 mol 279 unq 0 iso 0 dist 8.8643 10.2396 8.50767 18.8592 14.2536 9.24367 numMergedOcc 0
32 mol 279 unq 1 iso 0 dist 9.24895 6.13953 6.10834 9.5146 4.99186 9.24367 numMergedOcc 0
33 mol 279 unq 2 iso 0 dist 8.34154 6.7711 6.10834 13.1175 4.99186 9.24367 numMergedOcc 0
34 mol 279 unq 3 iso 0 dist 9.07176 6.7711 8.24233 13.1175 8.17282 9.24367 numMergedOcc 0
35 mol 279 unq 4 iso 0 dist 5.90456 6.7711 8.50767 13.1175 14.2536 9.24367 numMergedOcc 0
