0 mol 4 unq 0 iso 0 dist 8.23852 5.39008 4.46089 12.7044 11.2623 9.12428 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.58709 7.67459 8.75469 6.30607 14.2168 9.21978 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.58709 7.67459 8.75469 9.69698 9.74445 8.03754 numMergedOcc 0
3 mol 46 unq 0 iso 0 dist 7.12259 9.52298 9.5489 6.59405 12.778 9.86627 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 9.3239 8.03504 4.60627 8.38443 10.9957 6.65254 numMergedOcc 0
5 mol 55 unq 1 iso 0 dist 9.3239 8.03504 4.60627 7.60951 12.774 8.97965 numMergedOcc 0
6 mol 55 unq 2 iso 0 dist 9.3239 8.03504 4.60627 7.3265 11.2187 8.94235 numMergedOcc 0
7 mol 55 unq 3 iso 0 dist 8.34632 7.87739 4.60627 9.41439 10.9957 6.65254 numMergedOcc 0
8 mol 55 unq 4 iso 0 dist 8.34632 7.87739 4.60627 13.3483 12.774 8.97965 numMergedOcc 0
9 mol 55 unq 5 iso 0 dist 8.34632 7.87739 4.60627 5.33255 11.2187 8.94235 numMergedOcc 0
10 mol 55 unq 6 iso 0 dist 5.62629 7.87739 5.55161 9.41439 10.1677 6.65254 numMergedOcc 0
11 mol 55 unq 7 iso 0 dist 5.62629 7.87739 5.55161 13.3483 13.9687 8.97965 numMergedOcc 0
12 mol 55 unq 8 iso 0 dist 5.62629 7.87739 5.55161 5.33255 9.70148 8.94235 numMergedOcc 0
13 mol 68 unq 0 iso 0 dist 8.06263 5.48997 6.94076 9.32604 15.572 9.40333 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 7.02351 6.7939 5.4653 10.3774 7.26679 7.23812 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 7.02351 6.7939 5.4653 10.539 9.75201 5.36012 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 7.02351 6.85356 4.63063 10.539 9.75201 6.3777 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 7.53504 5.68894 7.92924 9.64124 6.89722 7.23812 numMergedOcc 0
18 mol 73 unq 4 iso 0 dist 7.53504 5.68894 7.92924 4.91508 11.1478 5.36012 numMergedOcc 0
19 mol 73 unq 5 iso 0 dist 7.53504 7.32265 8.30433 4.91508 11.1478 6.3777 numMergedOcc 0
20 mol 73 unq 6 iso 0 dist 8.66342 5.68894 5.4653 9.64124 7.26679 7.23812 numMergedOcc 0
21 mol 73 unq 7 iso 0 dist 8.66342 5.68894 5.4653 4.91508 9.75201 5.36012 numMergedOcc 0
22 mol 73 unq 8 iso 0 dist 8.66342 7.32265 4.63063 4.91508 9.75201 6.3777 numMergedOcc 0
23 mol 73 unq 9 iso 0 dist 7.21285 5.68894 7.09483 9.64124 10.1503 7.23812 numMergedOcc 0
24 mol 73 unq 10 iso 0 dist 7.21285 5.68894 7.09483 4.91508 9.02288 5.36012 numMergedOcc 0
25 mol 73 unq 11 iso 0 dist 7.21285 7.32265 4.68175 4.91508 9.02288 6.3777 numMergedOcc 0
26 mol 73 unq 12 iso 0 dist 6.95094 5.68894 11.341 9.64124 14.918 7.23812 numMergedOcc 0
27 mol 73 unq 13 iso 0 dist 6.95094 5.68894 11.341 4.91508 9.58544 5.36012 numMergedOcc 0
28 mol 73 unq 14 iso 0 dist 6.95094 7.32265 10.0459 4.91508 9.58544 6.3777 numMergedOcc 0
29 mol 114 unq 0 iso 0 dist 8.592 8.75093 5.53478 4.24853 7.25166 8.14429 numMergedOcc 0
30 mol 131 unq 0 iso 0 dist 7.8034 6.45169 10.1774 6.92535 13.7959 8.88233 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 6.89564 9.82274 5.32245 15.3123 13.1006 9.1146 numMergedOcc 0
32 mol 152 unq 0 iso 0 dist 8.84852 9.27341 7.53439 9.50073 9.10619 8.41774 numMergedOcc 0
33 mol 156 unq 0 iso 0 dist 6.47989 5.50879 4.68339 10.9993 12.407 8.50926 numMergedOcc 0
34 mol 205 unq 0 iso 0 dist 5.94835 7.09439 5.16703 5.30941 7.07183 9.74671 numMergedOcc 0
35 mol 205 unq 1 iso 0 dist 6.76947 7.09439 6.81258 5.30941 11.098 9.74671 numMergedOcc 0
36 mol 209 unq 0 iso 0 dist 7.757 8.8886 8.13817 11.2558 15.6294 9.62543 numMergedOcc 0
37 mol 209 unq 1 iso 0 dist 9.56015 8.78565 8.13817 12.9345 15.6294 9.62543 numMergedOcc 0
38 mol 220 unq 0 iso 0 dist 9.56271 9.57625 13.0906 13.0808 17.4342 5.39218 numMergedOcc 0
39 mol 222 unq 0 iso 0 dist 7.10689 7.99609 9.50337 5.01062 8.7347 7.73634 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 9.06201 8.96263 9.9943 11.9904 9.34636 7.49783 numMergedOcc 0
41 mol 226 unq 0 iso 0 dist 9.05082 8.24741 12.3913 12.6212 14.3079 9.30975 numMergedOcc 0
42 mol 226 unq 1 iso 0 dist 9.05082 8.24741 12.3913 10.78 9.5723 9.14028 numMergedOcc 0
43 mol 239 unq 0 iso 0 dist 8.01565 7.10828 5.94643 12.7533 12.985 7.78671 numMergedOcc 0
44 mol 248 unq 0 iso 0 dist 7.83878 7.51278 4.13513 6.14956 11.8859 9.27041 numMergedOcc 0
45 mol 248 unq 1 iso 0 dist 7.83878 7.51278 4.13513 5.68749 7.66519 8.98788 numMergedOcc 0
46 mol 258 unq 0 iso 0 dist 6.59521 8.73425 5.27718 5.13233 8.58088 9.04358 numMergedOcc 0
47 mol 259 unq 0 iso 0 dist 5.96276 9.78704 7.53628 5.55516 5.90381 6.11671 numMergedOcc 0
48 mol 267 unq 0 iso 0 dist 5.32643 6.79491 9.17078 5.75453 10.9869 9.44648 numMergedOcc 0
49 mol 273 unq 0 iso 0 dist 9.36052 7.85797 5.78379 6.69098 12.8035 9.37841 numMergedOcc 0
50 mol 280 unq 0 iso 0 dist 9.047 6.38295 14.0927 8.30978 16.7212 5.41639 numMergedOcc 0
51 mol 280 unq 1 iso 0 dist 9.047 6.38295 14.0927 5.80223 13.1827 7.96485 numMergedOcc 0
52 mol 280 unq 2 iso 0 dist 9.9227 6.38295 11.4101 8.30978 11.1402 5.41639 numMergedOcc 0
53 mol 280 unq 3 iso 0 dist 9.9227 6.38295 11.4101 5.80223 8.85762 7.96485 numMergedOcc 0
