COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.324  -2.778   0.105  1.00  0.00           N  
HETATM    2  N   UNL     1       8.095  -0.396   0.048  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.077  -0.687  -0.161  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.398  -1.855   0.775  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.844  -3.787   1.053  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.029  -5.096   0.263  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.554  -4.772  -1.172  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.792   0.058   0.379  1.00  0.00           C  
HETATM    9  C   UNL     1       3.305  -1.734  -0.922  1.00  0.00           C  
HETATM   10  C   UNL     1       3.089   0.209   0.488  1.00  0.00           C  
HETATM   11  C   UNL     1       5.371  -0.598  -0.099  1.00  0.00           C  
HETATM   12  C   UNL     1       7.564  -1.374  -0.661  1.00  0.00           C  
HETATM   13  C   UNL     1       6.195  -1.512  -0.762  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.058   2.765  -0.216  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.198   4.789  -1.164  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.973   5.467  -0.664  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.988   4.575  -0.519  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.228   3.881  -1.015  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.857   2.555   0.436  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.822   3.458   0.287  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.677   1.341   1.311  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.154   0.234   0.507  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.632  -3.544  -0.963  1.00  0.00           C  
HETATM   24  S   UNL     1       0.427   1.084   1.122  1.00  0.00           S  
HETATM   25  C   UNL     1       1.706   0.103   0.411  1.00  0.00           C  
HETATM   26  C   UNL     1       1.114  -0.924  -0.333  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.232  -0.885  -0.299  1.00  0.00           N  
HETATM   28  C   UNL     1       3.894  -0.707  -0.178  1.00  0.00           C  
HETATM   29  C   UNL     1       1.953  -1.843  -1.001  1.00  0.00           C  
HETATM   30  C   UNL     1       7.353   0.487   0.689  1.00  0.00           C  
HETATM   31  C   UNL     1       5.976   0.422   0.641  1.00  0.00           C  
HETATM   32  H   UNL     1      -2.616  -1.068  -1.072  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.997  -0.160  -0.412  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.860  -1.474   1.686  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.478  -2.382   1.027  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.129  -3.940   1.862  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.801  -3.459   1.457  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.416  -5.888   0.695  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.078  -5.390   0.257  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.993  -5.608  -1.591  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.400  -4.519  -1.810  1.00  0.00           H  
HETATM   42  H   UNL     1       3.931  -2.446  -1.440  1.00  0.00           H  
HETATM   43  H   UNL     1       3.539   1.005   1.064  1.00  0.00           H  
HETATM   44  H   UNL     1       8.209  -2.075  -1.170  1.00  0.00           H  
HETATM   45  H   UNL     1       5.767  -2.315  -1.344  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.867   2.059  -0.097  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.332   5.660  -1.788  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.974   6.174  -0.004  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.168   4.042  -1.523  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.881   3.289   0.789  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.976   1.572   2.112  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.638   1.057   1.739  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.565  -2.954  -1.877  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.642  -3.858  -0.632  1.00  0.00           H  
HETATM   55  H   UNL     1       1.514  -2.642  -1.581  1.00  0.00           H  
HETATM   56  H   UNL     1       7.831   1.271   1.258  1.00  0.00           H  
HETATM   57  H   UNL     1       5.375   1.149   1.168  1.00  0.00           H  
CONECT    1    4    5   23                                            
CONECT    2   30   30   12                                            
CONECT    3   22    4   32   33                                       
CONECT    4    3    1   34   35                                       
CONECT    5    1    6   36   37                                       
CONECT    6    5    7   38   39                                       
CONECT    7    6   23   40   41                                       
CONECT    8   27   27   24   22                                       
CONECT    9   28   28   29   42                                       
CONECT   10   28   25   25   43                                       
CONECT   11   31   31   13   28                                       
CONECT   12    2   13   13   44                                       
CONECT   13   12   12   11   45                                       
CONECT   14   18   19   19   46                                       
CONECT   15   18   18   17   47                                       
CONECT   16   17   48                                                 
CONECT   17   15   16   20   20                                       
CONECT   18   15   15   14   49                                       
CONECT   19   14   14   20   21                                       
CONECT   20   17   17   19   50                                       
CONECT   21   19   22   51   52                                       
CONECT   22   21    8    3                                            
CONECT   23    1    7   53   54                                       
CONECT   24   25    8                                                 
CONECT   25   10   10   26   24                                       
CONECT   26   29   29   25   27                                       
CONECT   27   26    8    8                                            
CONECT   28   11    9    9   10                                       
CONECT   29    9   26   26   55                                       
CONECT   30    2    2   31   56                                       
CONECT   31   30   11   11   57                                       
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
