0 mol 48 unq 0 iso 0 dist 8.69823 6.59044 5.73454 10.5978 3.65036 5.37439 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 8.69823 4.63625 8.2012 10.5978 3.65036 8.3714 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 8.69823 11.1749 7.1829 11.0048 3.60121 8.14245 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 8.69823 11.1749 7.1829 10.5978 3.65036 6.36817 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 8.69823 11.1749 7.1829 18.615 11.611 8.0812 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 8.69823 11.1749 7.1829 12.137 5.37655 4.17933 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 8.69823 11.1749 7.1829 15.112 8.48119 5.54893 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 8.44761 8.24064 9.87699 7.51631 3.56619 7.7485 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 5.20528 6.53227 8.04853 8.27154 5.22259 6.67137 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 5.20528 6.53227 8.04853 9.95742 7.66499 7.04244 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 4.76028 4.42089 5.54226 10.009 5.5693 9.51764 numMergedOcc 0
11 mol 109 unq 1 iso 0 dist 4.76028 4.42089 5.54226 12.0402 11.1265 9.29327 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 8.49444 6.04365 7.40338 10.0952 6.29259 5.31126 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 8.49444 6.04365 7.40338 12.2124 7.08122 7.16619 numMergedOcc 0
14 mol 113 unq 2 iso 0 dist 5.55446 3.71942 5.35711 8.01535 3.52111 7.02358 numMergedOcc 0
15 mol 113 unq 3 iso 0 dist 5.55446 6.04365 6.23759 10.0952 8.17309 5.31126 numMergedOcc 0
16 mol 113 unq 4 iso 0 dist 5.55446 6.04365 6.23759 12.2124 9.30967 7.16619 numMergedOcc 0
17 mol 128 unq 0 iso 0 dist 4.89256 5.43682 7.4442 7.66528 6.30769 6.08651 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 9.63085 7.75948 7.84546 11.3663 4.94367 7.53342 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 9.03552 6.399 7.85698 10.0981 6.28646 5.10589 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 5.77897 3.61063 5.41121 8.29054 3.83687 6.96715 numMergedOcc 0
21 mol 169 unq 2 iso 0 dist 5.77897 6.399 6.35799 10.0981 7.83748 5.10589 numMergedOcc 0
22 mol 169 unq 3 iso 0 dist 8.59976 15.445 7.85698 14.6623 6.28646 5.10589 numMergedOcc 0
23 mol 169 unq 4 iso 0 dist 9.71763 12.9917 5.41121 7.07933 3.83687 6.96715 numMergedOcc 0
24 mol 169 unq 5 iso 0 dist 9.71763 15.445 6.35799 14.6623 7.83748 5.10589 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.41708 9.15827 8.72743 13.7516 14.2269 7.25595 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 8.41708 9.15827 8.72743 16.3985 9.76301 9.94825 numMergedOcc 0
27 mol 198 unq 0 iso 0 dist 9.75046 6.88195 8.78623 9.84293 5.92533 7.38825 numMergedOcc 0
28 mol 198 unq 1 iso 0 dist 6.73371 5.73959 8.78623 5.84588 5.92533 7.38825 numMergedOcc 0
29 mol 213 unq 0 iso 0 dist 9.65238 10.9151 9.34602 17.4452 11.5458 7.93317 numMergedOcc 0
30 mol 260 unq 0 iso 0 dist 4.76698 9.77348 6.49413 11.0968 7.28821 8.62655 numMergedOcc 0
31 mol 260 unq 1 iso 0 dist 4.76698 8.11438 6.12343 4.54064 3.60349 7.04263 numMergedOcc 0
32 mol 260 unq 2 iso 0 dist 4.76698 3.43932 4.52405 4.54064 3.60349 6.48099 numMergedOcc 0
33 mol 281 unq 0 iso 0 dist 9.42297 7.60311 6.18742 7.8046 3.78169 7.90368 numMergedOcc 0
34 mol 281 unq 1 iso 0 dist 9.42297 7.60311 6.18742 11.1901 11.7772 6.69267 numMergedOcc 0
35 mol 281 unq 2 iso 0 dist 9.42297 11.1675 6.8089 16.2764 10.3992 5.33372 numMergedOcc 0
36 mol 281 unq 3 iso 0 dist 9.42297 11.1675 6.8089 11.1901 11.7772 6.56886 numMergedOcc 0
