 46 
 
   C   -1.069095520    1.449260486   -1.226064545 
   C   -0.297700635    2.631310670   -1.422369505 
   C    0.047278277    3.022218283   -2.723759227 
   C   -0.306922826    2.251999385   -3.823944669 
   C   -1.001635801    1.053679681   -3.663482370 
   C   -1.383393284    0.618134684   -2.367333257 
   C   -1.305814698    0.289504894   -4.803520972 
   C   -1.974725863   -0.925258943   -4.699028586 
   C   -2.340874171   -1.392060592   -3.448332111 
   C   -2.048149013   -0.636834231   -2.307427402 
   C    0.161367764    3.541192607   -0.311538059 
   C   -1.530353332    0.998764880    0.169549878 
   N   -0.440856865    0.307584356    0.830684646 
   C   -2.092580885    2.091795835    1.054291750 
   C   -1.819925508    2.344086499    2.344478707 
   C   -0.553542503   -0.986549575    1.274125889 
   C    0.669265105   -1.590880795    1.866870901 
   O   -1.580920844   -1.650571754    1.223223953 
   C    0.509520517   -2.573260225    2.854737631 
   C    1.638172336   -3.180196296    3.422180490 
   C    2.928710077   -2.822981735    3.010066614 
   C    3.072531600   -1.849811916    2.012629790 
   C    1.952397743   -1.234385918    1.433135998 
   N    1.466146142   -4.200319823    4.465237943 
   O    2.477136444   -4.808156487    4.840947364 
   O    0.325542547   -4.382618092    4.909193117 
   N    4.416681755   -1.463768346    1.564861872 
   O    4.513517793   -0.448703429    0.862402739 
   O    5.366007176   -2.170653355    1.925422200 
   H    0.607039615    3.940579967   -2.893904161 
   H   -0.014457369    2.594733457   -4.814456617 
   H   -1.014870358    0.636762881   -5.793124684 
   H   -2.199751971   -1.505435235   -5.589409390 
   H   -2.852750308   -2.345900249   -3.348120164 
   H   -2.346020020   -1.077904688   -1.359193864 
   H   -0.652023144    4.201333381    0.002965152 
   H    0.545006766    2.975476708    0.540532154 
   H    0.990936012    4.177837234   -0.641146192 
   H   -2.380496802    0.319675667    0.067996025 
   H    0.406936303    0.835165111    0.960405374 
   H   -2.833968675    2.724070475    0.565318914 
   H   -2.318734932    3.157841436    2.862892380 
   H   -1.122197933    1.745408102    2.919308746 
   H   -0.496348878   -2.855371565    3.168563827 
   H    3.804331989   -3.295065133    3.454914296 
   H    2.079590001   -0.511687203    0.629233976 
