0 mol 17 unq 0 iso 0 dist 9.78918 8.32923 7.82406 6.80314 7.31113 9.877 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.80314 8.32923 9.877 9.78918 7.31113 7.82406 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.98417 10.7786 5.497 13.3003 4.36675 6.15893 numMergedOcc 0
3 mol 27 unq 0 iso 0 dist 7.96312 15.4799 7.60283 14.1773 9.51391 8.71752 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 7.67129 14.1714 7.60283 12.632 9.51391 8.71752 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 9.18836 6.26099 6.73801 6.07294 10.1421 6.42834 numMergedOcc 0
6 mol 41 unq 1 iso 0 dist 6.07294 6.26099 6.42834 9.18836 10.1421 6.73801 numMergedOcc 0
7 mol 45 unq 0 iso 0 dist 4.5673 11.1279 9.62637 9.72013 5.69343 7.21995 numMergedOcc 0
8 mol 45 unq 1 iso 0 dist 4.5673 5.59308 6.01423 9.72013 5.69343 7.70625 numMergedOcc 0
9 mol 87 unq 0 iso 0 dist 8.59105 5.5768 7.2268 10.562 5.17492 9.69219 numMergedOcc 0
10 mol 87 unq 1 iso 0 dist 8.59105 4.56692 8.31175 11.8663 6.04216 9.28624 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 7.31426 9.81259 7.1539 12.1756 6.34272 5.39745 numMergedOcc 0
12 mol 92 unq 1 iso 0 dist 6.15654 7.31722 5.39745 11.9868 6.34272 7.1539 numMergedOcc 0
13 mol 128 unq 0 iso 0 dist 7.61237 10.8984 6.98158 14.3492 10.8727 7.75012 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 8.36723 5.73251 6.71555 10.9439 9.63809 7.41399 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 8.36723 5.73251 6.71555 12.7942 12.3323 8.21165 numMergedOcc 0
16 mol 133 unq 2 iso 0 dist 8.36723 5.73251 6.71555 13.0257 5.75201 8.97945 numMergedOcc 0
17 mol 133 unq 3 iso 0 dist 8.36723 5.73251 6.71555 10.7389 5.98781 9.50664 numMergedOcc 0
18 mol 146 unq 0 iso 0 dist 8.68292 7.14836 6.50043 10.7403 5.54669 9.44952 numMergedOcc 0
19 mol 148 unq 0 iso 0 dist 6.86997 6.43817 8.73468 7.46919 4.32771 9.73927 numMergedOcc 0
20 mol 148 unq 1 iso 0 dist 7.46919 6.43817 9.73927 6.86997 4.32771 8.73468 numMergedOcc 0
21 mol 150 unq 0 iso 0 dist 6.79381 6.48058 8.73558 7.36989 4.39943 9.66129 numMergedOcc 0
22 mol 150 unq 1 iso 0 dist 7.36989 6.48058 9.66129 6.79381 4.39943 8.73558 numMergedOcc 0
23 mol 173 unq 0 iso 0 dist 9.31172 8.94838 6.64779 15.8158 7.69792 8.41245 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 8.79832 10.2578 5.4997 14.4708 6.75531 6.99693 numMergedOcc 0
25 mol 239 unq 0 iso 0 dist 9.85821 10.9858 5.88802 13.931 11.3911 7.02079 numMergedOcc 0
26 mol 256 unq 0 iso 0 dist 9.65136 5.34142 7.48269 9.47921 6.10011 6.71249 numMergedOcc 0
27 mol 256 unq 1 iso 0 dist 9.65136 5.34142 7.48269 13.6758 12.5562 9.18903 numMergedOcc 0
28 mol 256 unq 2 iso 0 dist 7.54955 8.04009 7.48269 11.9361 6.10011 6.71249 numMergedOcc 0
29 mol 256 unq 3 iso 0 dist 7.54955 8.04009 7.48269 15.3583 12.5562 9.18903 numMergedOcc 0
30 mol 280 unq 0 iso 0 dist 9.38952 12.7222 7.82157 17.7021 8.52019 9.18069 numMergedOcc 0
31 mol 280 unq 1 iso 0 dist 7.42529 11.9982 7.82157 11.1876 8.52019 9.18069 numMergedOcc 0
