COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -4.596  -1.606  -2.558  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.058  -0.472  -1.821  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.160   0.140  -1.003  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.867  -0.340  -0.914  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.543   1.255  -0.260  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.813   1.728  -0.352  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.138   2.874   0.438  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.629   1.882   0.575  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.338   1.405   0.672  1.00  0.00           C  
HETATM   10 CL   UNL     1      -1.197   2.192   1.717  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -1.948   0.291  -0.075  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.562  -0.219   0.023  1.00  0.00           C  
HETATM   13  N   UNL     1       0.477   0.580  -0.214  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.311  -1.553   0.374  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.147  -2.716   0.709  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.577  -2.758   0.760  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.712  -2.792   0.800  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.289  -3.745   0.961  1.00  0.00           C  
HETATM   19  N   UNL     1       0.994  -3.319   0.811  1.00  0.00           N  
HETATM   20  C   UNL     1       1.022  -1.995   0.456  1.00  0.00           C  
HETATM   21  N   UNL     1       1.997  -1.128   0.196  1.00  0.00           N  
HETATM   22  C   UNL     1       1.720   0.125  -0.126  1.00  0.00           C  
HETATM   23  S   UNL     1       3.053   1.231  -0.452  1.00  0.00           S  
HETATM   24  C   UNL     1       4.456   0.116  -0.196  1.00  0.00           C  
HETATM   25  C   UNL     1       5.742   0.867  -0.426  1.00  0.00           C  
HETATM   26  O   UNL     1       5.713   2.039  -0.734  1.00  0.00           O  
HETATM   27  N   UNL     1       6.924   0.235  -0.291  1.00  0.00           N  
HETATM   28  C   UNL     1       8.175   0.964  -0.516  1.00  0.00           C  
HETATM   29  C   UNL     1       6.959  -1.182   0.081  1.00  0.00           C  
HETATM   30  H   UNL     1      -5.409  -1.998  -3.169  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.769  -1.308  -3.203  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.257  -2.376  -1.866  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.568  -1.201  -1.493  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.987   2.643   1.492  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.494   3.706   0.152  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.180   3.147   0.271  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.930   2.746   1.149  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.584  -4.747   1.238  1.00  0.00           H  
HETATM   39  H   UNL     1       1.780  -3.874   0.939  1.00  0.00           H  
HETATM   40  H   UNL     1       4.435  -0.264   0.826  1.00  0.00           H  
HETATM   41  H   UNL     1       4.391  -0.717  -0.895  1.00  0.00           H  
HETATM   42  H   UNL     1       8.511   1.406   0.422  1.00  0.00           H  
HETATM   43  H   UNL     1       8.935   0.276  -0.886  1.00  0.00           H  
HETATM   44  H   UNL     1       8.009   1.752  -1.250  1.00  0.00           H  
HETATM   45  H   UNL     1       6.432  -1.768  -0.671  1.00  0.00           H  
HETATM   46  H   UNL     1       7.995  -1.516   0.142  1.00  0.00           H  
HETATM   47  H   UNL     1       6.477  -1.316   1.049  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3                                                 
CONECT    3    2    5    5    4                                       
CONECT    4    3   11   11   33                                       
CONECT    5    6    3    3    8                                       
CONECT    6    7    5                                                 
CONECT    7    6   34   35   36                                       
CONECT    8    5    9    9   37                                       
CONECT    9    8    8   11   10                                       
CONECT   10    9                                                      
CONECT   11    4    4    9   12                                       
CONECT   12   14   11   13   13                                       
CONECT   13   12   12   22                                            
CONECT   14   15   20   20   12                                       
CONECT   15   16   18   18   14                                       
CONECT   16   17   17   17   15                                       
CONECT   17   16   16   16                                            
CONECT   18   15   15   19   38                                       
CONECT   19   18   20   39                                            
CONECT   20   19   14   14   21                                       
CONECT   21   20   22   22                                            
CONECT   22   21   21   13   23                                       
CONECT   23   22   24                                                 
CONECT   24   25   23   40   41                                       
CONECT   25   26   26   27   24                                       
CONECT   26   25   25                                                 
CONECT   27   29   25   28                                            
CONECT   28   27   42   43   44                                       
CONECT   29   27   45   46   47                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   28                                                      
CONECT   43   28                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
