COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.577   0.276   0.393  1.00  0.00           C  
HETATM    2  C   UNL     1       0.969   1.566   0.063  1.00  0.00           C  
HETATM    3  C   UNL     1       2.298   1.867  -0.141  1.00  0.00           C  
HETATM    4  C   UNL     1       3.259   0.870  -0.015  1.00  0.00           C  
HETATM    5  C   UNL     1       2.858  -0.438   0.320  1.00  0.00           C  
HETATM    6  C   UNL     1       1.504  -0.719   0.527  1.00  0.00           C  
HETATM    7  C   UNL     1       3.877  -1.481   0.450  1.00  0.00           C  
HETATM    8  C   UNL     1       5.175  -1.148   0.243  1.00  0.00           C  
HETATM    9  C   UNL     1       5.010   2.504  -0.563  1.00  0.00           C  
HETATM   10  C   UNL     1       3.492  -2.893   0.808  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.883  -0.029   0.610  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.146  -0.007  -0.065  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.795   0.840  -0.943  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.721   1.751  -0.468  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.997   1.814   0.885  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.349   0.965   1.763  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.422   0.056   1.288  1.00  0.00           C  
HETATM   18  C   UNL     1       5.524   0.178  -0.091  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.493  -0.429  -0.660  1.00  0.00           N  
HETATM   20  N   UNL     1       4.596   1.143  -0.214  1.00  0.00           N  
HETATM   21  O   UNL     1      -2.905  -2.214   0.294  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.298  -1.398  -2.035  1.00  0.00           O  
HETATM   23  O   UNL     1       6.697   0.456  -0.274  1.00  0.00           O  
HETATM   24  S   UNL     1      -2.972  -1.173  -0.671  1.00  0.00           S  
HETATM   25  H   UNL     1       0.224   2.342  -0.036  1.00  0.00           H  
HETATM   26  H   UNL     1       2.593   2.874  -0.398  1.00  0.00           H  
HETATM   27  H   UNL     1       1.191  -1.720   0.785  1.00  0.00           H  
HETATM   28  H   UNL     1       5.944  -1.900   0.333  1.00  0.00           H  
HETATM   29  H   UNL     1       6.094   2.535  -0.680  1.00  0.00           H  
HETATM   30  H   UNL     1       4.535   2.800  -1.498  1.00  0.00           H  
HETATM   31  H   UNL     1       4.711   3.189   0.230  1.00  0.00           H  
HETATM   32  H   UNL     1       3.296  -3.458  -0.103  1.00  0.00           H  
HETATM   33  H   UNL     1       4.306  -3.363   1.360  1.00  0.00           H  
HETATM   34  H   UNL     1       2.594  -2.879   1.426  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.981  -0.840   1.332  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.387   0.859   0.991  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.579   0.791  -2.000  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.227   2.414  -1.154  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.720   2.526   1.256  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.565   1.015   2.820  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.915  -0.606   1.974  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.030  -0.258  -1.496  1.00  0.00           H  
CONECT    1    2    2    6   11                                       
CONECT    2    3    1    1   25                                       
CONECT    3    4    4    2   26                                       
CONECT    4   20    3    3    5                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5    1   27                                       
CONECT    7    8    8    5   10                                       
CONECT    8   18    7    7   28                                       
CONECT    9   20   29   30   31                                       
CONECT   10    7   32   33   34                                       
CONECT   11    1   19   35   36                                       
CONECT   12   24   13   13   17                                       
CONECT   13   12   12   14   37                                       
CONECT   14   13   15   15   38                                       
CONECT   15   14   14   16   39                                       
CONECT   16   17   17   15   40                                       
CONECT   17   12   16   16   41                                       
CONECT   18   23   23   20    8                                       
CONECT   19   11   24   42                                            
CONECT   20    9   18    4                                            
CONECT   21   24   24                                                 
CONECT   22   24   24                                                 
CONECT   23   18   18                                                 
CONECT   24   19   22   22   12                                       
CONECT   24   21   21                                                 
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
