COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.909   0.430   0.700  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.328   0.274   0.304  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.043  -1.069  -0.594  1.00  0.00           C  
HETATM    4  C   UNL     1       5.283   0.893  -1.365  1.00  0.00           C  
HETATM    5  C   UNL     1       6.470   0.297  -1.737  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.046  -0.234  -0.117  1.00  0.00           C  
HETATM    7  C   UNL     1       4.428   0.247  -0.473  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.358  -0.116  -2.285  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.938  -1.097  -1.189  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.719  -0.337   0.121  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.432  -0.860   1.370  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.342  -0.627  -0.203  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.725  -0.663  -0.502  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.453   0.586   0.067  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.512   1.369   0.517  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.754   0.939   0.421  1.00  0.00           N  
HETATM   17  C   UNL     1       0.945   1.069   0.189  1.00  0.00           C  
HETATM   18  C   UNL     1       1.250   2.265   0.737  1.00  0.00           C  
HETATM   19  S   UNL     1       3.001   2.458   0.694  1.00  0.00           S  
HETATM   20  C   UNL     1       3.156   0.880  -0.072  1.00  0.00           C  
HETATM   21  N   UNL     1       1.975   0.356  -0.224  1.00  0.00           N  
HETATM   22  C   UNL     1       6.820  -0.945  -1.235  1.00  0.00           C  
HETATM   23  C   UNL     1       5.987  -1.604  -0.355  1.00  0.00           C  
HETATM   24  C   UNL     1       4.786  -1.014   0.043  1.00  0.00           C  
HETATM   25  C   UNL     1       3.894  -1.711   0.987  1.00  0.00           C  
HETATM   26  O   UNL     1       4.170  -2.974   1.368  1.00  0.00           O  
HETATM   27  O   UNL     1       2.909  -1.147   1.421  1.00  0.00           O  
HETATM   28  H   UNL     1      -7.702   1.370   1.212  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.849   0.393   0.148  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.272   1.218  -0.238  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.147   0.453   1.364  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.290  -2.027  -1.028  1.00  0.00           H  
HETATM   33  H   UNL     1       5.017   1.862  -1.761  1.00  0.00           H  
HETATM   34  H   UNL     1       7.131   0.803  -2.425  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.243   0.431  -1.963  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.545   0.586  -2.474  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.582  -0.666  -3.199  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.722  -1.842  -1.049  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.013  -1.594  -1.480  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.910  -0.769   2.322  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.057  -1.746   1.258  1.00  0.00           H  
HETATM   42  H   UNL     1       0.074  -1.294  -0.860  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.313   2.335   0.958  1.00  0.00           H  
HETATM   44  H   UNL     1       0.543   2.979   1.133  1.00  0.00           H  
HETATM   45  H   UNL     1       7.753  -1.401  -1.534  1.00  0.00           H  
HETATM   46  H   UNL     1       6.267  -2.573   0.032  1.00  0.00           H  
HETATM   47  H   UNL     1       3.556  -3.389   1.989  1.00  0.00           H  
CONECT    1   11   10   28   29                                       
CONECT    2   10   12   30   31                                       
CONECT    3    6   13   13   32                                       
CONECT    4    7    7    5   33                                       
CONECT    5    4   22   22   34                                       
CONECT    6   12   16   16    3                                       
CONECT    7   20    4    4   24                                       
CONECT    8    9   35   36   37                                       
CONECT    9   10    8   38   39                                       
CONECT   10   11    1    9    2                                       
CONECT   11    1   10   40   41                                       
CONECT   12    2    6                                                 
CONECT   13    3    3   14   42                                       
CONECT   14   15   15   13   17                                       
CONECT   15   16   14   14   43                                       
CONECT   16    6    6   15                                            
CONECT   17   14   18   18   21                                       
CONECT   18   17   17   19   44                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   21    7                                       
CONECT   21   17   20   20                                            
CONECT   22    5    5   23   45                                       
CONECT   23   24   24   22   46                                       
CONECT   24    7   25   23   23                                       
CONECT   25   27   27   26   24                                       
CONECT   26   25   47                                                 
CONECT   27   25   25                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
