COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.843   0.843  -0.599  1.00  0.00           C  
HETATM    2  N   UNL     1       2.781  -0.302   0.121  1.00  0.00           N  
HETATM    3  C   UNL     1       3.052   0.008   1.415  1.00  0.00           C  
HETATM    4  N   UNL     1       3.269   1.288   1.508  1.00  0.00           N  
HETATM    5  C   UNL     1       3.145   1.845   0.276  1.00  0.00           C  
HETATM    6  C   UNL     1       3.311   3.271  -0.056  1.00  0.00           C  
HETATM    7  O   UNL     1       3.173   3.648  -1.204  1.00  0.00           O  
HETATM    8  N   UNL     1       3.617   4.157   0.912  1.00  0.00           N  
HETATM    9  C   UNL     1       2.481  -1.637  -0.403  1.00  0.00           C  
HETATM   10  C   UNL     1       3.664  -2.569  -0.132  1.00  0.00           C  
HETATM   11  O   UNL     1       3.351  -3.883  -0.598  1.00  0.00           O  
HETATM   12  C   UNL     1       1.230  -2.186   0.286  1.00  0.00           C  
HETATM   13  C   UNL     1       0.021  -1.330  -0.096  1.00  0.00           C  
HETATM   14  C   UNL     1       4.902  -2.048  -0.865  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.132  -1.791   0.613  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.569   1.248  -0.424  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.332   1.465  -0.950  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.258   0.646  -0.562  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.482  -0.395   0.374  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.772  -0.588   0.896  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.788   0.225   0.496  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.967   0.841  -1.084  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.950   0.030  -0.687  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.168  -0.998   0.236  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.410  -1.218   0.760  1.00  0.00           C  
HETATM   26  H   UNL     1       2.678   0.945  -1.662  1.00  0.00           H  
HETATM   27  H   UNL     1       3.082  -0.694   2.235  1.00  0.00           H  
HETATM   28  H   UNL     1       3.727   3.856   1.827  1.00  0.00           H  
HETATM   29  H   UNL     1       3.726   5.096   0.693  1.00  0.00           H  
HETATM   30  H   UNL     1       2.307  -1.575  -1.478  1.00  0.00           H  
HETATM   31  H   UNL     1       3.862  -2.601   0.939  1.00  0.00           H  
HETATM   32  H   UNL     1       3.183  -3.810  -1.548  1.00  0.00           H  
HETATM   33  H   UNL     1       1.062  -3.215  -0.033  1.00  0.00           H  
HETATM   34  H   UNL     1       1.369  -2.158   1.366  1.00  0.00           H  
HETATM   35  H   UNL     1       0.215  -0.290   0.165  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.157  -1.409  -1.168  1.00  0.00           H  
HETATM   37  H   UNL     1       4.703  -2.016  -1.936  1.00  0.00           H  
HETATM   38  H   UNL     1       5.140  -1.046  -0.509  1.00  0.00           H  
HETATM   39  H   UNL     1       5.744  -2.712  -0.671  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.392   1.879  -0.725  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.177   2.262  -1.662  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.957  -1.376   1.610  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.779   0.075   0.898  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.784   1.631  -1.797  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.960   0.182  -1.091  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.567  -2.017   1.468  1.00  0.00           H  
CONECT    1    2    5    5   26                                       
CONECT    2    1    3    9                                            
CONECT    3    2    4    4   27                                       
CONECT    4    3    3    5                                            
CONECT    5    1    1    4    6                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   28   29                                            
CONECT    9    2   10   12   30                                       
CONECT   10    9   11   14   31                                       
CONECT   11   10   32                                                 
CONECT   12    9   13   33   34                                       
CONECT   13   12   15   35   36                                       
CONECT   14   10   37   38   39                                       
CONECT   15   13   24                                                 
CONECT   16   17   17   21   40                                       
CONECT   17   16   16   18   41                                       
CONECT   18   17   19   19   22                                       
CONECT   19   18   18   20   25                                       
CONECT   20   19   21   21   42                                       
CONECT   21   16   20   20   43                                       
CONECT   22   18   23   23   44                                       
CONECT   23   22   22   24   45                                       
CONECT   24   15   23   25   25                                       
CONECT   25   19   24   24   46                                       
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
