 46 
 
   C    0.276171366    0.257552329   -1.879528845 
   C   -0.174906589   -0.740479292   -2.792070891 
   C   -0.001478491   -0.554523956   -4.168113865 
   C    0.597555754    0.597364115   -4.661610127 
   C    1.041475538    1.601882020   -3.800164192 
   C    0.890713625    1.459548294   -2.395202965 
   C    1.637231833    2.749393374   -4.351599155 
   C    2.097583171    3.782642591   -3.542565210 
   C    1.965377259    3.678589847   -2.168745197 
   C    1.373644061    2.541148089   -1.609419692 
   C   -0.839004535   -2.020268253   -2.347631589 
   C    0.076917508    0.022663565   -0.375628416 
   N    1.327701789    0.119172812    0.364969371 
   C   -0.954864696    0.945326702    0.229238801 
   C   -2.182503241    0.568995775    0.619300677 
   C    1.615158794   -0.218267854    1.657501613 
   C    0.572038241   -0.797995929    2.519199988 
   O    2.728402815   -0.030883842    2.134862716 
   C    0.064254222   -2.072048317    2.253123351 
   C   -0.914062344   -2.603318114    3.102369371 
   C   -1.368285233   -1.888258514    4.219534567 
   C   -0.822720265   -0.622472495    4.480564475 
   C    0.153070443   -0.073517037    3.639517397 
   N   -1.479442252   -3.923712451    2.806044416 
   O   -2.129225837   -4.482187650    3.698574609 
   O   -1.280125743   -4.387220379    1.674987467 
   N   -1.287036740    0.142266784    5.645247022 
   O   -0.874189077    1.302150270    5.772951288 
   O   -2.071370045   -0.419010372    6.421350870 
   H   -0.335789701   -1.310851087   -4.876028617 
   H    0.711718800    0.701860330   -5.738917498 
   H    1.748429509    2.848000820   -5.429932358 
   H    2.556030001    4.662297343   -3.985719930 
   H    2.320966961    4.478518648   -1.524082977 
   H    1.303279825    2.526817731   -0.525933474 
   H   -0.140973426   -2.628234314   -1.763305174 
   H   -1.734071260   -1.802551336   -1.756571930 
   H   -1.161172149   -2.627036578   -3.201096669 
   H   -0.256284709   -1.002696407   -0.210881258 
   H    2.143402999    0.428062946   -0.150961396 
   H   -0.684080419    1.989884483    0.357849219 
   H   -2.874577516    1.294369848    1.038392643 
   H   -2.535234036   -0.451371718    0.507800831 
   H    0.440106556   -2.635969730    1.401135507 
   H   -2.131354815   -2.309596629    4.873499876 
   H    0.591522049    0.903963562    3.837695353 
