0 mol 8 unq 0 iso 0 dist 9.86938 7.08043 8.99126 11.4765 8.94096 5.02333 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 8.77049 11.3797 6.33889 5.3866 9.82483 11.0722 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.95341 11.7623 6.33889 6.49896 9.82483 11.0722 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.62693 10.2609 8.82012 17.6797 9.25649 15.2834 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 8.62693 10.2609 8.82012 13.889 9.36104 14.0729 numMergedOcc 0
5 mol 26 unq 2 iso 0 dist 8.62693 4.09495 9.16962 17.6797 9.25649 17.7956 numMergedOcc 0
6 mol 26 unq 3 iso 0 dist 8.62693 4.09495 9.16962 13.889 9.36104 15.23 numMergedOcc 0
7 mol 90 unq 0 iso 0 dist 9.30724 9.43289 8.39016 13.8613 7.54496 8.89062 numMergedOcc 0
8 mol 90 unq 1 iso 0 dist 9.30724 3.97343 6.99355 13.8613 7.54496 10.1287 numMergedOcc 0
9 mol 92 unq 0 iso 0 dist 7.57958 4.71849 5.81965 7.38289 9.28578 5.7134 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 7.57958 4.32564 7.06013 7.38289 9.28578 4.24513 numMergedOcc 0
11 mol 92 unq 2 iso 0 dist 7.57958 13.6329 9.70512 7.38289 9.28578 10.7874 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 7.50886 9.09179 6.73814 7.3539 8.11094 5.6074 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.95838 7.38295 7.39889 7.58689 9.05798 4.91594 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.95838 7.38295 7.39889 5.47002 5.85818 9.3046 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 8.95838 5.85391 9.63176 7.58689 9.05798 12.7179 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 8.95838 5.85391 9.63176 5.47002 5.85818 4.91132 numMergedOcc 0
17 mol 119 unq 4 iso 0 dist 8.95838 11.0075 7.44174 7.58689 9.05798 9.15779 numMergedOcc 0
18 mol 119 unq 5 iso 0 dist 8.95838 11.0075 7.44174 5.47002 5.85818 7.61939 numMergedOcc 0
19 mol 119 unq 6 iso 0 dist 9.47892 9.58951 7.39889 9.21153 9.05798 4.91594 numMergedOcc 0
20 mol 119 unq 7 iso 0 dist 9.47892 9.58951 7.39889 13.8865 5.85818 9.3046 numMergedOcc 0
21 mol 119 unq 8 iso 0 dist 9.47892 18.2257 9.63176 9.21153 9.05798 12.7179 numMergedOcc 0
22 mol 119 unq 9 iso 0 dist 9.47892 18.2257 9.63176 13.8865 5.85818 4.91132 numMergedOcc 0
23 mol 119 unq 10 iso 0 dist 9.47892 9.93013 7.44174 9.21153 9.05798 9.15779 numMergedOcc 0
24 mol 119 unq 11 iso 0 dist 9.47892 9.93013 7.44174 13.8865 5.85818 7.61939 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 9.43335 5.69675 7.31468 5.91006 8.1582 6.41287 numMergedOcc 0
26 mol 143 unq 1 iso 0 dist 9.43335 5.69675 7.31468 10.9939 7.88655 7.11704 numMergedOcc 0
27 mol 143 unq 2 iso 0 dist 9.43335 10.5005 7.7056 5.91006 8.1582 11.488 numMergedOcc 0
28 mol 143 unq 3 iso 0 dist 9.43335 10.5005 7.7056 10.9939 7.88655 9.53139 numMergedOcc 0
29 mol 143 unq 4 iso 0 dist 9.9492 9.79072 7.31468 14.2311 8.1582 6.41287 numMergedOcc 0
30 mol 143 unq 5 iso 0 dist 9.9492 9.79072 7.31468 9.32969 7.88655 7.11704 numMergedOcc 0
31 mol 143 unq 6 iso 0 dist 9.9492 5.80488 7.7056 14.2311 8.1582 11.488 numMergedOcc 0
32 mol 143 unq 7 iso 0 dist 9.9492 5.80488 7.7056 9.32969 7.88655 9.53139 numMergedOcc 0
33 mol 173 unq 0 iso 0 dist 9.56248 8.11337 7.93331 13.638 7.54706 6.65184 numMergedOcc 0
34 mol 173 unq 1 iso 0 dist 9.56248 10.8336 6.98095 13.638 7.54706 4.68119 numMergedOcc 0
35 mol 173 unq 2 iso 0 dist 9.56248 10.6484 8.31897 13.638 7.54706 6.6407 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 9.70025 6.20895 7.37327 8.93412 7.96291 9.92777 numMergedOcc 0
37 mol 197 unq 0 iso 0 dist 8.32685 10.5326 8.99696 6.35266 9.71865 15.4462 numMergedOcc 0
38 mol 197 unq 1 iso 0 dist 6.74777 5.29309 8.99696 10.3477 9.71865 15.4462 numMergedOcc 0
39 mol 197 unq 2 iso 0 dist 9.62514 4.57437 8.99696 13.7046 9.71865 15.4462 numMergedOcc 0
40 mol 218 unq 0 iso 0 dist 8.27907 10.2817 7.18041 5.77167 6.86795 5.7776 numMergedOcc 0
41 mol 218 unq 1 iso 0 dist 8.27907 10.2817 7.18041 7.54799 6.23898 5.282 numMergedOcc 0
42 mol 218 unq 2 iso 0 dist 7.90156 11.7195 7.17547 10.8118 9.67381 10.3246 numMergedOcc 0
43 mol 218 unq 3 iso 0 dist 7.90156 11.7195 7.17547 12.2629 6.61099 5.7776 numMergedOcc 0
44 mol 218 unq 4 iso 0 dist 7.90156 4.67327 7.13323 10.8118 9.67381 9.8301 numMergedOcc 0
45 mol 218 unq 5 iso 0 dist 7.90156 4.67327 7.13323 12.2629 6.61099 9.97783 numMergedOcc 0
46 mol 238 unq 0 iso 0 dist 9.94175 13.8985 5.38637 11.1472 8.6597 11.1167 numMergedOcc 0
47 mol 238 unq 1 iso 0 dist 9.94175 14.9782 6.55759 11.1472 8.6597 7.83352 numMergedOcc 0
48 mol 238 unq 2 iso 0 dist 8.81534 5.33567 5.38637 13.5907 8.6597 11.1167 numMergedOcc 0
49 mol 238 unq 3 iso 0 dist 8.81534 9.85437 6.55759 13.5907 8.6597 7.83352 numMergedOcc 0
50 mol 238 unq 4 iso 0 dist 9.46582 9.23693 7.67322 12.2456 7.61203 11.0349 numMergedOcc 0
51 mol 238 unq 5 iso 0 dist 9.77231 15.3161 9.68513 12.2456 9.47845 5.87253 numMergedOcc 0
52 mol 238 unq 6 iso 0 dist 9.77231 9.18011 9.29858 12.2456 9.47845 10.7551 numMergedOcc 0
53 mol 243 unq 0 iso 0 dist 8.53888 10.3202 8.61104 4.2759 6.01071 6.34358 numMergedOcc 0
54 mol 243 unq 1 iso 0 dist 9.46855 10.1405 8.61104 5.81296 6.01071 6.34358 numMergedOcc 0
55 mol 259 unq 0 iso 0 dist 9.53092 4.77548 7.48005 6.20003 6.39918 5.60748 numMergedOcc 0
56 mol 259 unq 1 iso 0 dist 9.53092 12.7699 8.37865 6.20003 6.39918 7.31951 numMergedOcc 0
57 mol 264 unq 0 iso 0 dist 6.21206 11.2529 9.5784 5.34871 6.5422 8.45726 numMergedOcc 0
