COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.030   5.083   0.294  1.00  0.00           O  
HETATM    2  C   UNL     1       1.444  -2.285   1.532  1.00  0.00           C  
HETATM    3  C   UNL     1       0.085  -1.666   1.330  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.674  -1.297   2.427  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.218   0.277  -0.485  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.918  -0.729   2.250  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.412  -0.526   0.960  1.00  0.00           C  
HETATM    8  N   UNL     1      -8.018   1.673  -0.999  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.744   0.082   0.762  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.511   0.751  -0.671  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.050   0.854  -1.953  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.340   1.332  -2.086  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.253   1.113   0.371  1.00  0.00           N  
HETATM   14  C   UNL     1      -7.479   1.563   0.199  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.641  -0.900  -0.143  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.396  -1.462   0.049  1.00  0.00           C  
HETATM   17  N   UNL     1       3.749   3.313   0.696  1.00  0.00           N  
HETATM   18  C   UNL     1       4.722   3.946   0.006  1.00  0.00           C  
HETATM   19  C   UNL     1       5.424   3.235  -1.122  1.00  0.00           C  
HETATM   20  O   UNL     1       5.476   1.832  -0.847  1.00  0.00           O  
HETATM   21  C   UNL     1       3.438   1.989   0.372  1.00  0.00           C  
HETATM   22  C   UNL     1       4.324   1.252  -0.416  1.00  0.00           C  
HETATM   23  C   UNL     1       4.032  -0.056  -0.742  1.00  0.00           C  
HETATM   24  C   UNL     1       2.257   1.413   0.820  1.00  0.00           C  
HETATM   25  C   UNL     1       1.956   0.110   0.487  1.00  0.00           C  
HETATM   26  C   UNL     1       2.848  -0.639  -0.282  1.00  0.00           C  
HETATM   27  C   UNL     1       2.524  -2.035  -0.638  1.00  0.00           C  
HETATM   28  O   UNL     1       2.801  -2.460  -1.742  1.00  0.00           O  
HETATM   29  N   UNL     1       1.922  -2.837   0.262  1.00  0.00           N  
HETATM   30  C   UNL     1       1.745  -4.262  -0.030  1.00  0.00           C  
HETATM   31  C   UNL     1       2.979  -5.050  -0.475  1.00  0.00           C  
HETATM   32  C   UNL     1       1.885  -4.707  -1.487  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.413   0.407   1.724  1.00  0.00           O  
HETATM   34  H   UNL     1       2.141  -1.525   1.883  1.00  0.00           H  
HETATM   35  H   UNL     1       1.373  -3.083   2.271  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.290  -1.454   3.424  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.656   0.086  -1.252  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.509  -0.442   3.107  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.473   0.569  -2.821  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.791   1.425  -3.063  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.059   1.850   1.063  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.017  -0.746  -1.143  1.00  0.00           H  
HETATM   43  H   UNL     1       0.203  -1.748  -0.803  1.00  0.00           H  
HETATM   44  H   UNL     1       3.274   3.769   1.408  1.00  0.00           H  
HETATM   45  H   UNL     1       4.880   3.402  -2.051  1.00  0.00           H  
HETATM   46  H   UNL     1       6.438   3.623  -1.220  1.00  0.00           H  
HETATM   47  H   UNL     1       4.716  -0.628  -1.352  1.00  0.00           H  
HETATM   48  H   UNL     1       1.574   1.987   1.429  1.00  0.00           H  
HETATM   49  H   UNL     1       1.041  -0.339   0.843  1.00  0.00           H  
HETATM   50  H   UNL     1       1.012  -4.781   0.587  1.00  0.00           H  
HETATM   51  H   UNL     1       3.922  -4.509  -0.549  1.00  0.00           H  
HETATM   52  H   UNL     1       3.057  -6.088  -0.150  1.00  0.00           H  
HETATM   53  H   UNL     1       1.243  -5.519  -1.830  1.00  0.00           H  
HETATM   54  H   UNL     1       2.109  -3.940  -2.229  1.00  0.00           H  
CONECT    1   18   18                                                 
CONECT    2    3   29   34   35                                       
CONECT    3    4    2   16   16                                       
CONECT    4    6    6    3   36                                       
CONECT    5    9   10   37                                            
CONECT    6    4    4    7   38                                       
CONECT    7    6    9   15   15                                       
CONECT    8   12   12   14                                            
CONECT    9   33   33    7    5                                       
CONECT   10    5   11   11   13                                       
CONECT   11   10   10   12   39                                       
CONECT   12   11    8    8   40                                       
CONECT   13   10   14   14                                            
CONECT   14   13   13    8   41                                       
CONECT   15    7    7   16   42                                       
CONECT   16    3    3   15   43                                       
CONECT   17   21   18   44                                            
CONECT   18   17   19    1    1                                       
CONECT   19   20   18   45   46                                       
CONECT   20   22   19                                                 
CONECT   21   24   24   22   17                                       
CONECT   22   23   23   21   20                                       
CONECT   23   26   22   22   47                                       
CONECT   24   25   21   21   48                                       
CONECT   25   26   26   24   49                                       
CONECT   26   27   25   25   23                                       
CONECT   27   28   28   29   26                                       
CONECT   28   27   27                                                 
CONECT   29    2   27   30                                            
CONECT   30   32   29   31   50                                       
CONECT   31   32   30   51   52                                       
CONECT   32   30   31   53   54                                       
CONECT   33    9    9                                                 
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
