COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       2.368  -0.432  -0.553  1.00  0.00           C  
HETATM    2  N   UNK A   1       2.868   0.861  -0.542  1.00  0.00           N  
HETATM    3  C   UNK A   1       3.997   1.147   0.357  1.00  0.00           C  
HETATM    4  C   UNK A   1       4.569   2.530   0.038  1.00  0.00           C  
HETATM    5  O   UNK A   1       3.590   3.529   0.332  1.00  0.00           O  
HETATM    6  C   UNK A   1       5.077   0.081   0.147  1.00  0.00           C  
HETATM    7  O   UNK A   1       6.150   0.303   1.064  1.00  0.00           O  
HETATM    8  C   UNK A   1       4.478  -1.307   0.388  1.00  0.00           C  
HETATM    9  O   UNK A   1       5.499  -2.298   0.246  1.00  0.00           O  
HETATM   10  C   UNK A   0       3.368  -1.566  -0.631  1.00  0.00           C  
HETATM   11  O   UNK A   0       2.720  -2.804  -0.332  1.00  0.00           O  
HETATM   12  N   UNK A   0       1.097  -0.661  -0.495  1.00  0.00           N  
HETATM   13 CL   UNK A   0      -7.617  -0.400   0.437  1.00  0.00          Cl  
HETATM   14  C   UNK A   0      -5.940  -0.005   0.221  1.00  0.00           C  
HETATM   15  C   UNK A   0      -4.964  -0.801   0.795  1.00  0.00           C  
HETATM   16  C   UNK A   0      -3.629  -0.488   0.626  1.00  0.00           C  
HETATM   17  C   UNK A   0      -5.582   1.101  -0.529  1.00  0.00           C  
HETATM   18  C   UNK A   0      -4.249   1.418  -0.701  1.00  0.00           C  
HETATM   19  C   UNK A   0      -3.268   0.625  -0.121  1.00  0.00           C  
HETATM   20  N   UNK A   0      -1.916   0.944  -0.294  1.00  0.00           N  
HETATM   21  C   UNK A   0      -0.996  -0.038  -0.369  1.00  0.00           C  
HETATM   22  O   UNK A   0      -1.348  -1.201  -0.385  1.00  0.00           O  
HETATM   23  O   UNK A   0       0.313   0.269  -0.428  1.00  0.00           O  
HETATM   24  H   UNK A   1       3.656   1.123   1.391  1.00  0.00           H  
HETATM   25  H   UNK A   1       5.459   2.704   0.642  1.00  0.00           H  
HETATM   26  H   UNK A   1       4.832   2.579  -1.019  1.00  0.00           H  
HETATM   27  H   UNK A   1       3.885   4.433   0.153  1.00  0.00           H  
HETATM   28  H   UNK A   1       5.453   0.142  -0.874  1.00  0.00           H  
HETATM   29  H   UNK A   1       6.871  -0.336   0.987  1.00  0.00           H  
HETATM   30  H   UNK A   1       4.063  -1.354   1.395  1.00  0.00           H  
HETATM   31  H   UNK A   1       5.190  -3.203   0.386  1.00  0.00           H  
HETATM   32  H   UNK A   0       3.792  -1.606  -1.634  1.00  0.00           H  
HETATM   33  H   UNK A   0       2.003  -3.030  -0.941  1.00  0.00           H  
HETATM   34  H   UNK A   0      -5.246  -1.666   1.376  1.00  0.00           H  
HETATM   35  H   UNK A   0      -2.868  -1.109   1.074  1.00  0.00           H  
HETATM   36  H   UNK A   0      -6.346   1.718  -0.979  1.00  0.00           H  
HETATM   37  H   UNK A   0      -3.970   2.282  -1.285  1.00  0.00           H  
HETATM   38  H   UNK A   0      -1.641   1.872  -0.359  1.00  0.00           H  
HETATM   39  H   UNK A   1       2.487   1.552  -1.106  1.00  0.00           H  
CONECT    1   12   12    2   10                                       
CONECT    2    1    3   39                                            
CONECT    3    2   24    4    6                                       
CONECT    4    3    5   25   26                                       
CONECT    5    4   27                                                 
CONECT    6    3    8   28    7                                       
CONECT    7    6   29                                                 
CONECT    8    6   10   30    9                                       
CONECT    9    8   31                                                 
CONECT   10    8    1   11   32                                       
CONECT   11   10   33                                                 
CONECT   12    1    1   23                                            
CONECT   13   14                                                      
CONECT   14   13   15   15   17                                       
CONECT   15   14   14   34   16                                       
CONECT   16   15   35   19   19                                       
CONECT   17   14   36   18   18                                       
CONECT   18   17   17   37   19                                       
CONECT   19   16   16   18   20                                       
CONECT   20   19   38   21                                            
CONECT   21   20   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   12   21                                                 
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39    2                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
