COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.603   0.754   0.686  1.00  0.00           C  
HETATM    2  C   UNL     1       3.652   0.086   1.599  1.00  0.00           C  
HETATM    3  C   UNL     1       4.703  -0.465   0.659  1.00  0.00           C  
HETATM    4  O   UNL     1       0.356   1.703  -0.462  1.00  0.00           O  
HETATM    5  O   UNL     1       4.045   2.618   0.655  1.00  0.00           O  
HETATM    6  O   UNL     1       1.947   3.068   0.126  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.194   0.924   1.137  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.192   1.587   0.223  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.694   0.900  -0.875  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.645  -1.445  -0.275  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.814  -1.348   0.470  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.181  -2.378   1.315  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.387  -3.506   1.419  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.222  -3.606   0.679  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.849  -2.579  -0.168  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.614   1.515  -1.714  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.027   2.807  -1.455  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.526   3.488  -0.361  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.614   2.877   0.480  1.00  0.00           C  
HETATM   20  C   UNL     1       2.918   2.215   0.488  1.00  0.00           C  
HETATM   21  C   UNL     1       2.765  -0.030  -0.634  1.00  0.00           C  
HETATM   22  C   UNL     1       4.193  -0.531  -0.625  1.00  0.00           C  
HETATM   23  C   UNL     1       4.984  -1.008  -1.657  1.00  0.00           C  
HETATM   24  C   UNL     1       6.279  -1.418  -1.408  1.00  0.00           C  
HETATM   25  C   UNL     1       6.789  -1.352  -0.125  1.00  0.00           C  
HETATM   26  C   UNL     1       6.002  -0.875   0.906  1.00  0.00           C  
HETATM   27  N   UNL     1       1.254   0.584   1.230  1.00  0.00           N  
HETATM   28  C   UNL     1       0.193   1.099   0.577  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.273  -0.407  -1.135  1.00  0.00           N  
HETATM   30 CL   UNL     1      -0.387  -2.707  -1.096  1.00  0.00          Cl  
HETATM   31 CL   UNL     1      -4.812   0.067   0.341  1.00  0.00          Cl  
HETATM   32  H   UNL     1       4.094   0.822   2.270  1.00  0.00           H  
HETATM   33  H   UNL     1       3.195  -0.722   2.171  1.00  0.00           H  
HETATM   34  H   UNL     1       2.198   3.995   0.011  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.247   1.380   2.126  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.423  -0.139   1.215  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.089  -2.303   1.894  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.676  -4.309   2.079  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.604  -4.487   0.764  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.005   0.984  -2.569  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.742   3.286  -2.107  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.855   4.497  -0.158  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.225   3.412   1.334  1.00  0.00           H  
HETATM   44  H   UNL     1       2.070  -0.868  -0.663  1.00  0.00           H  
HETATM   45  H   UNL     1       2.601   0.628  -1.487  1.00  0.00           H  
HETATM   46  H   UNL     1       4.586  -1.059  -2.659  1.00  0.00           H  
HETATM   47  H   UNL     1       6.893  -1.789  -2.215  1.00  0.00           H  
HETATM   48  H   UNL     1       7.801  -1.671   0.072  1.00  0.00           H  
HETATM   49  H   UNL     1       6.401  -0.824   1.908  1.00  0.00           H  
HETATM   50  H   UNL     1       1.124   0.101   2.062  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.723  -0.594  -1.911  1.00  0.00           H  
CONECT    1   20   21   27    2                                       
CONECT    2    1    3   32   33                                       
CONECT    3    2   22   26   26                                       
CONECT    4   28   28                                                 
CONECT    5   20   20                                                 
CONECT    6   20   34                                                 
CONECT    7   28    8   35   36                                       
CONECT    8   19    7    9    9                                       
CONECT    9    8    8   16   29                                       
CONECT   10   29   11   11   15                                       
CONECT   11   31   10   10   12                                       
CONECT   12   11   13   13   37                                       
CONECT   13   12   12   14   38                                       
CONECT   14   15   15   13   39                                       
CONECT   15   10   30   14   14                                       
CONECT   16   17   17    9   40                                       
CONECT   17   18   16   16   41                                       
CONECT   18   19   19   17   42                                       
CONECT   19   18   18    8   43                                       
CONECT   20    5    5    6    1                                       
CONECT   21    1   22   44   45                                       
CONECT   22   21   23   23    3                                       
CONECT   23   22   22   24   46                                       
CONECT   24   23   25   25   47                                       
CONECT   25   24   24   26   48                                       
CONECT   26    3    3   25   49                                       
CONECT   27    1   28   50                                            
CONECT   28   27    4    4    7                                       
CONECT   29    9   10   51                                            
CONECT   30   15                                                      
CONECT   31   11                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
