 43 
 
   C    0.414401836    0.714051486   -1.726155859 
   C    1.678603368    0.152400249   -1.444530369 
   C    2.486189613   -0.353710123   -2.457019610 
   C    2.054721684   -0.299526108   -3.776655913 
   C    0.817258177    0.268107212   -4.106242701 
   C   -0.022571441    0.790919558   -3.086811516 
   C    0.417696741    0.319937123   -5.452229436 
   C   -0.799965795    0.886348166   -5.819993157 
   C   -1.633459698    1.410651874   -4.843796079 
   C   -1.250340752    1.364540771   -3.500172406 
   C   -0.434720419    1.276567233   -0.585085390 
   N   -0.166106784    0.641303676    0.695961236 
   C   -0.175989394    2.750644912   -0.380501220 
   C   -1.131339961    3.664215639   -0.154427184 
   C   -0.870936426   -0.464227727    1.110377569 
   C   -0.483456994   -1.045955420    2.423327663 
   O   -1.795372230   -0.968552645    0.486366796 
   C   -1.469098346   -1.704748836    3.172340406 
   C   -1.136646250   -2.283630473    4.404547932 
   C    0.173325144   -2.220932933    4.897590186 
   C    1.151062997   -1.572090106    4.132398749 
   C    0.833101452   -0.987136809    2.896530501 
   N   -2.175248407   -2.962390462    5.190578641 
   O   -1.808307167   -3.616694926    6.175450876 
   O   -3.350362210   -2.831213311    4.825766158 
   N    2.533254885   -1.502217114    4.626246255 
   O    2.802569546   -2.112772814    5.668002049 
   O    3.339702045   -0.829689355    3.969522429 
   H    3.452740033   -0.789913783   -2.219033841 
   H    2.700810428   -0.702179276   -4.554035123 
   H    1.059651158   -0.083912805   -6.232521127 
   H   -1.093811286    0.917598553   -6.865506689 
   H   -2.585391567    1.856009846   -5.120993909 
   H   -1.940882739    1.792837184   -2.778805385 
   H   -1.493517273    1.098668727   -0.802312204 
   H    0.505642082    1.089620143    1.299359465 
   H    0.856367767    3.086656406   -0.457113780 
   H   -0.880882173    4.714256960   -0.037197956 
   H   -2.179259704    3.387044572   -0.084202945 
   H   -2.486602598   -1.761069878    2.783102478 
   H    0.426820419   -2.672090879    5.856587844 
   H    1.610570346   -0.520167842    2.296074135 
   H    2.049780286    0.102444186   -0.424787211 
