COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.253  -0.312  -5.764  1.00  0.00           C  
HETATM    2  O   UNL     1       2.560  -0.550  -5.956  1.00  0.00           O  
HETATM    3  O   UNL     1       0.509  -0.220  -6.712  1.00  0.00           O  
HETATM    4  C   UNL     1       0.713  -0.158  -4.365  1.00  0.00           C  
HETATM    5  C   UNL     1       1.409   1.017  -3.677  1.00  0.00           C  
HETATM    6  C   UNL     1       0.975  -1.440  -3.573  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.693   0.087  -4.422  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.131   0.157  -3.138  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.565  -0.988  -2.488  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.011  -0.915  -1.183  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.025   0.300  -0.523  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.146   1.375  -2.474  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.598   1.445  -1.170  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.511   0.377   0.900  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.352   0.166   1.839  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.240  -0.028   1.395  1.00  0.00           O  
HETATM   17  N   UNL     1      -1.550   0.193   3.172  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.460   0.093   4.044  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.598  -0.567   5.257  1.00  0.00           C  
HETATM   20  C   UNL     1       0.477  -0.660   6.118  1.00  0.00           C  
HETATM   21  C   UNL     1       1.694  -0.104   5.767  1.00  0.00           C  
HETATM   22  C   UNL     1       0.762   0.650   3.695  1.00  0.00           C  
HETATM   23  C   UNL     1       1.836   0.550   4.558  1.00  0.00           C  
HETATM   24  C   UNL     1       0.327  -1.372   7.437  1.00  0.00           C  
HETATM   25  C   UNL     1       3.164   1.154   4.180  1.00  0.00           C  
HETATM   26  H   UNL     1       2.906  -0.649  -6.854  1.00  0.00           H  
HETATM   27  H   UNL     1       1.121   1.947  -4.167  1.00  0.00           H  
HETATM   28  H   UNL     1       1.111   1.053  -2.629  1.00  0.00           H  
HETATM   29  H   UNL     1       2.489   0.890  -3.743  1.00  0.00           H  
HETATM   30  H   UNL     1       0.382  -2.253  -3.992  1.00  0.00           H  
HETATM   31  H   UNL     1       2.034  -1.694  -3.633  1.00  0.00           H  
HETATM   32  H   UNL     1       0.697  -1.287  -2.531  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.554  -1.938  -3.003  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.349  -1.807  -0.677  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.809   2.269  -2.977  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.610   2.393  -0.653  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.262  -0.393   1.070  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.951   1.358   1.081  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.449   0.282   3.527  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.548  -1.001   5.531  1.00  0.00           H  
HETATM   41  H   UNL     1       2.535  -0.182   6.440  1.00  0.00           H  
HETATM   42  H   UNL     1       0.874   1.162   2.751  1.00  0.00           H  
HETATM   43  H   UNL     1       0.016  -0.660   8.201  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.424  -2.156   7.343  1.00  0.00           H  
HETATM   45  H   UNL     1       1.281  -1.816   7.721  1.00  0.00           H  
HETATM   46  H   UNL     1       3.759   0.416   3.643  1.00  0.00           H  
HETATM   47  H   UNL     1       3.000   2.023   3.542  1.00  0.00           H  
HETATM   48  H   UNL     1       3.693   1.461   5.082  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    2    1   26                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5    6    7                                       
CONECT    5    4   27   28   29                                       
CONECT    6    4   30   31   32                                       
CONECT    7    4    8                                                 
CONECT    8    7    9    9   12                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9   11   11   34                                       
CONECT   11   10   10   13   14                                       
CONECT   12    8   13   13   35                                       
CONECT   13   11   12   12   36                                       
CONECT   14   11   15   37   38                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   39                                            
CONECT   18   17   19   19   22                                       
CONECT   19   18   18   20   40                                       
CONECT   20   19   21   21   24                                       
CONECT   21   20   20   23   41                                       
CONECT   22   18   23   23   42                                       
CONECT   23   21   22   22   25                                       
CONECT   24   20   43   44   45                                       
CONECT   25   23   46   47   48                                       
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
