COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.454  -1.396  -0.266  1.00  0.00           O  
HETATM    2  C   UNL     1       0.493  -0.184  -0.364  1.00  0.00           C  
HETATM    3  N   UNL     1       1.673   0.438  -0.558  1.00  0.00           N  
HETATM    4  C   UNL     1       2.862  -0.299  -0.553  1.00  0.00           C  
HETATM    5  C   UNL     1       4.025   0.259  -0.037  1.00  0.00           C  
HETATM    6 CL   UNL     1       4.005   1.873   0.603  1.00  0.00          Cl  
HETATM    7  C   UNL     1       5.199  -0.473  -0.033  1.00  0.00           C  
HETATM    8 CL   UNL     1       6.653   0.222   0.612  1.00  0.00          Cl  
HETATM    9  C   UNL     1       5.214  -1.760  -0.542  1.00  0.00           C  
HETATM   10  C   UNL     1       4.058  -2.317  -1.056  1.00  0.00           C  
HETATM   11  C   UNL     1       2.882  -1.593  -1.058  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.644   0.535  -0.284  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.865  -0.109  -0.089  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.056  -1.451   0.038  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.424  -1.674   0.218  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.081  -3.018   0.401  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.805  -3.532   1.816  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.590  -2.881   0.193  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.513  -4.006  -0.620  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.039  -0.519   0.202  1.00  0.00           N  
HETATM   21  N   UNL     1      -3.083   0.488   0.015  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.337   1.865  -0.055  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.506   2.327  -0.643  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.421   2.768   0.468  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.674   4.124   0.397  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.838   4.582  -0.194  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.753   3.685  -0.711  1.00  0.00           C  
HETATM   28  H   UNL     1       1.697   1.397  -0.701  1.00  0.00           H  
HETATM   29  H   UNL     1       6.132  -2.330  -0.538  1.00  0.00           H  
HETATM   30  H   UNL     1       4.074  -3.321  -1.453  1.00  0.00           H  
HETATM   31  H   UNL     1       1.978  -2.031  -1.456  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.612   1.502  -0.363  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.287  -2.209   0.005  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.209  -2.828   2.543  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.280  -4.504   1.948  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.729  -3.630   1.964  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.786  -2.515  -0.814  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.065  -3.854   0.326  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.995  -2.178   0.921  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.437  -4.104  -0.472  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.987  -4.979  -0.487  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.709  -3.641  -1.628  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.222   1.627  -1.048  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.513   2.411   0.930  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.963   4.827   0.804  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.033   5.643  -0.248  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.663   4.045  -1.168  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4   28                                            
CONECT    4    3    5    5   11                                       
CONECT    5    4    4    6    7                                       
CONECT    6    5                                                      
CONECT    7    5    8    9    9                                       
CONECT    8    7                                                      
CONECT    9    7    7   10   29                                       
CONECT   10    9   11   11   30                                       
CONECT   11    4   10   10   31                                       
CONECT   12    2   13   32                                            
CONECT   13   12   14   14   21                                       
CONECT   14   13   13   15   33                                       
CONECT   15   14   16   20   20                                       
CONECT   16   15   17   18   19                                       
CONECT   17   16   34   35   36                                       
CONECT   18   16   37   38   39                                       
CONECT   19   16   40   41   42                                       
CONECT   20   15   15   21                                            
CONECT   21   13   20   22                                            
CONECT   22   21   23   24   24                                       
CONECT   23   22   27   27   43                                       
CONECT   24   22   22   25   44                                       
CONECT   25   24   26   26   45                                       
CONECT   26   25   25   27   46                                       
CONECT   27   23   23   26   47                                       
CONECT   28    3                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
