COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.569   5.941  -0.533  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.879   4.716   0.071  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.656   4.352  -0.774  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.976   3.146  -0.179  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.425   2.629   0.822  1.00  0.00           O  
HETATM    6  N   UNL     1      -0.869   2.642  -0.759  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.182   1.583  -0.154  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.886   0.598   0.525  1.00  0.00           C  
HETATM    9  C   UNL     1       1.200   1.516  -0.240  1.00  0.00           C  
HETATM   10  C   UNL     1       1.884   0.460   0.363  1.00  0.00           C  
HETATM   11  C   UNL     1       3.359   0.386   0.275  1.00  0.00           C  
HETATM   12  C   UNL     1       4.039  -0.618   0.845  1.00  0.00           C  
HETATM   13  S   UNL     1       5.744  -0.294   0.483  1.00  0.00           S  
HETATM   14  C   UNL     1       5.415   1.194  -0.424  1.00  0.00           C  
HETATM   15  O   UNL     1       6.225   1.927  -0.962  1.00  0.00           O  
HETATM   16  N   UNL     1       4.078   1.336  -0.397  1.00  0.00           N  
HETATM   17  C   UNL     1       1.174  -0.524   1.050  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.209  -0.454   1.127  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.921  -1.443   1.810  1.00  0.00           N  
HETATM   20  S   UNL     1      -2.287  -2.094   1.137  1.00  0.00           S  
HETATM   21  O   UNL     1      -2.752  -3.081   2.047  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.082  -0.998   0.705  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.792  -2.954  -0.319  1.00  0.00           C  
HETATM   24  S   UNL     1      -1.697  -2.251  -1.929  1.00  0.00           S  
HETATM   25  C   UNL     1      -1.157  -3.785  -2.599  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.082  -4.696  -1.628  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.427  -4.236  -0.369  1.00  0.00           C  
HETATM   28  H   UNL     1      -5.440   6.200   0.068  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.874   6.780  -0.547  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.885   5.714  -1.552  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.563   4.943   1.089  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.574   3.877   0.084  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.972   4.126  -1.792  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.961   5.191  -0.787  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.548   3.013  -1.596  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.963   0.651   0.587  1.00  0.00           H  
HETATM   37  H   UNL     1       1.747   2.280  -0.773  1.00  0.00           H  
HETATM   38  H   UNL     1       3.635  -1.448   1.405  1.00  0.00           H  
HETATM   39  H   UNL     1       1.701  -1.343   1.518  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.615  -1.749   2.678  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.923  -3.962  -3.639  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.767  -5.713  -1.808  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.409  -4.869   0.506  1.00  0.00           H  
HETATM   44  H   UNL     1       3.641   2.084  -0.833  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    3    1   31   32                                       
CONECT    3    4    2   33   34                                       
CONECT    4    6    3    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    7    4   35                                            
CONECT    7    8    6    9    9                                       
CONECT    8   18   18    7   36                                       
CONECT    9    7    7   10   37                                       
CONECT   10   17   17    9   11                                       
CONECT   11   10   16   12   12                                       
CONECT   12   11   11   13   38                                       
CONECT   13   14   12                                                 
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   11   14   44                                            
CONECT   17   18   10   10   39                                       
CONECT   18   19    8    8   17                                       
CONECT   19   20   18   40                                            
CONECT   20   22   22   23   21                                       
CONECT   20   21   19                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   27   27   20   24                                       
CONECT   24   25   23                                                 
CONECT   25   26   26   24   41                                       
CONECT   26   27   25   25   42                                       
CONECT   27   26   23   23   43                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   12                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   16                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
