COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.184   0.860   0.058  1.00  0.00           C  
HETATM    2  C   UNL     1       3.401   0.267  -0.317  1.00  0.00           C  
HETATM    3  C   UNL     1       4.380   0.990  -1.019  1.00  0.00           C  
HETATM    4  C   UNL     1       5.547   0.382  -1.366  1.00  0.00           C  
HETATM    5  C   UNL     1       5.788  -0.951  -1.035  1.00  0.00           C  
HETATM    6  C   UNL     1       4.863  -1.682  -0.356  1.00  0.00           C  
HETATM    7  C   UNL     1       3.646  -1.089   0.019  1.00  0.00           C  
HETATM    8  C   UNL     1       2.667  -1.812   0.721  1.00  0.00           C  
HETATM    9  C   UNL     1       1.500  -1.203   1.068  1.00  0.00           C  
HETATM   10  C   UNL     1       1.259   0.129   0.738  1.00  0.00           C  
HETATM   11  S   UNL     1      -0.262   0.880   1.214  1.00  0.00           S  
HETATM   12  O   UNL     1      -0.750   0.132   2.319  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.020   2.279   1.267  1.00  0.00           O  
HETATM   14  N   UNL     1      -1.336   0.638  -0.024  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.191  -0.556  -0.051  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.456   1.618  -1.112  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.926   2.031  -1.244  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.788   0.780  -1.426  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.651  -0.115  -0.197  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.524  -1.332  -0.360  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.031  -2.435  -0.355  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.850  -1.191  -0.511  1.00  0.00           O  
HETATM   23  H   UNL     1       1.985   1.893  -0.187  1.00  0.00           H  
HETATM   24  H   UNL     1       4.208   2.023  -1.282  1.00  0.00           H  
HETATM   25  H   UNL     1       6.298   0.940  -1.905  1.00  0.00           H  
HETATM   26  H   UNL     1       6.722  -1.410  -1.322  1.00  0.00           H  
HETATM   27  H   UNL     1       5.063  -2.714  -0.107  1.00  0.00           H  
HETATM   28  H   UNL     1       2.839  -2.845   0.984  1.00  0.00           H  
HETATM   29  H   UNL     1       0.749  -1.761   1.608  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.913  -1.185  -0.897  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.067  -1.115   0.876  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.850   2.495  -0.884  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.115   1.171  -2.046  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.237   2.559  -0.343  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.044   2.684  -2.109  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.832   1.072  -1.545  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.460   0.238  -2.314  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.958   0.438   0.691  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.369  -2.000  -0.613  1.00  0.00           H  
CONECT    1    2    2   10   23                                       
CONECT    2    7    3    1    1                                       
CONECT    3    4    4    2   24                                       
CONECT    4    5    3    3   25                                       
CONECT    5    6    6    4   26                                       
CONECT    6    5    5    7   27                                       
CONECT    7    6    8    8    2                                       
CONECT    8    7    7    9   28                                       
CONECT    9    8   10   10   29                                       
CONECT   10    9    9    1   11                                       
CONECT   11   14   10   12   12                                       
CONECT   11   13   13                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   16   15   11                                            
CONECT   15   19   14   30   31                                       
CONECT   16   17   14   32   33                                       
CONECT   17   18   16   34   35                                       
CONECT   18   17   19   36   37                                       
CONECT   19   18   20   15   38                                       
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   39                                                 
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   22                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
