COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.270  -0.147   8.767  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.294  -0.081   7.788  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.019   0.006   8.164  1.00  0.00           N  
HETATM    4  C   UNL     1       0.959   0.073   7.278  1.00  0.00           C  
HETATM    5  O   UNL     1       2.249   0.162   7.676  1.00  0.00           O  
HETATM    6  C   UNL     1       0.627   0.049   5.903  1.00  0.00           C  
HETATM    7  N   UNL     1       1.288   0.094   4.760  1.00  0.00           N  
HETATM    8  N   UNL     1       0.441   0.034   3.792  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.769  -0.048   4.224  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.750  -0.046   5.545  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.666  -0.113   6.524  1.00  0.00           N  
HETATM   12  C   UNL     1       0.792   0.058   2.436  1.00  0.00           C  
HETATM   13  C   UNL     1       2.129   0.151   2.066  1.00  0.00           C  
HETATM   14  C   UNL     1       2.481   0.174   0.730  1.00  0.00           C  
HETATM   15  C   UNL     1       1.507   0.106  -0.246  1.00  0.00           C  
HETATM   16  C   UNL     1       0.162   0.013   0.115  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.192  -0.016   1.463  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.882  -0.059  -0.928  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.053  -0.140  -0.611  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.537  -0.036  -2.230  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.572  -0.108  -3.264  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.927  -0.064  -4.625  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.719   1.149  -5.252  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.121   1.191  -6.500  1.00  0.00           C  
HETATM   25 CL   UNL     1       0.145   2.716  -7.284  1.00  0.00          Cl  
HETATM   26  C   UNL     1       0.257   0.016  -7.124  1.00  0.00           C  
HETATM   27  C   UNL     1       0.044  -1.198  -6.498  1.00  0.00           C  
HETATM   28 CL   UNL     1       0.519  -2.673  -7.281  1.00  0.00          Cl  
HETATM   29  C   UNL     1      -0.548  -1.238  -5.249  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.019  -0.129   9.704  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.205  -0.208   8.517  1.00  0.00           H  
HETATM   32  H   UNL     1       2.579  -0.742   7.759  1.00  0.00           H  
HETATM   33  H   UNL     1       2.895   0.205   2.825  1.00  0.00           H  
HETATM   34  H   UNL     1       3.521   0.246   0.448  1.00  0.00           H  
HETATM   35  H   UNL     1       1.786   0.125  -1.289  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.231  -0.088   1.749  1.00  0.00           H  
HETATM   37  H   UNL     1       0.397   0.028  -2.483  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.252   0.736  -3.157  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.129  -1.039  -3.156  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.015   2.066  -4.765  1.00  0.00           H  
HETATM   41  H   UNL     1       0.720   0.048  -8.099  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.715  -2.187  -4.760  1.00  0.00           H  
CONECT    1    2   30   31                                            
CONECT    2    1    3   11   11                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    6                                       
CONECT    5    4   32                                                 
CONECT    6    4    7    7   10                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9   12                                            
CONECT    9    8   10   10                                            
CONECT   10    6    9    9   11                                       
CONECT   11    2    2   10                                            
CONECT   12    8   13   17   17                                       
CONECT   13   12   14   14   33                                       
CONECT   14   13   13   15   34                                       
CONECT   15   14   16   16   35                                       
CONECT   16   15   15   17   18                                       
CONECT   17   12   12   16   36                                       
CONECT   18   16   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   37                                            
CONECT   21   20   22   38   39                                       
CONECT   22   21   23   29   29                                       
CONECT   23   22   24   24   40                                       
CONECT   24   23   23   25   26                                       
CONECT   25   24                                                      
CONECT   26   24   27   27   41                                       
CONECT   27   26   26   28   29                                       
CONECT   28   27                                                      
CONECT   29   22   22   27   42                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    5                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   26                                                      
CONECT   42   29                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
