 40 
 
   C   -2.228191449   -0.189958094   -0.735290011 
   C   -2.130363065   -1.412172521   -1.420489182 
   C   -2.733996946   -2.566333308   -0.913309299 
   C   -3.427865781   -2.530489190    0.300492202 
   C   -3.526991815   -1.317760848    0.989585860 
   C   -2.925665006   -0.163128515    0.482514133 
   C   -4.103852251   -3.761278376    0.827681055 
   C   -1.552261757    1.077731789   -1.240150469 
   N   -0.147812685    1.041105873   -0.881934026 
   C   -1.703654431    1.274990817   -2.734054818 
   C   -0.751547261    1.500259396   -3.653104556 
   C    0.288167302    1.577155385    0.308168698 
   O   -0.411132916    2.235380862    1.067970280 
   C    1.701304621    1.297082100    0.680115939 
   C    2.690816955    1.092025726   -0.289444232 
   C    4.012568927    0.845922970    0.112871719 
   C    4.360142800    0.810101021    1.469615551 
   C    3.361859653    1.030457993    2.427992286 
   C    2.037504158    1.276890145    2.041326867 
   N    3.707487031    1.000090795    3.855768932 
   O    4.905357013    0.894528509    4.150478689 
   O    2.782279605    1.075505931    4.674032655 
   N    5.045449762    0.624040791   -0.908089683 
   O    6.220726604    0.548991061   -0.528747606 
   O    4.671763444    0.520430480   -2.084242021 
   H   -1.587793604   -1.477049074   -2.361048163 
   H   -2.656834298   -3.496121337   -1.472771702 
   H   -4.068997704   -1.262676672    1.931281987 
   H   -2.997383623    0.763423603    1.051166701 
   H   -3.560520281   -4.663862334    0.528747921 
   H   -4.137030837   -3.750412764    1.922219068 
   H   -5.126630325   -3.820141728    0.443003714 
   H   -2.024324988    1.946306555   -0.763145123 
   H    0.382474715    0.298248887   -1.310862286 
   H   -2.736354517    1.243049046   -3.082811401 
   H   -1.018276553    1.635204221   -4.697673701 
   H    0.299920581    1.578088048   -3.400616795 
   H    2.441245267    1.152840591   -1.346879722 
   H    5.388551841    0.617536571    1.774176590 
   H    1.259861814    1.453995594    2.785453949 
