COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.006   1.138   0.421  1.00  0.00           C  
HETATM    2  C   UNL     1       1.604   2.392   0.269  1.00  0.00           C  
HETATM    3  C   UNL     1       0.813   3.522   0.287  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.496   3.440   0.445  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.393   1.089   0.581  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.110   2.287   0.592  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.559   1.909   0.786  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.592   0.445   0.886  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.339  -0.024   0.758  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.793  -0.370   1.080  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.370  -0.742  -0.262  1.00  0.00           C  
HETATM   12  C   UNL     1       1.455   4.876   0.124  1.00  0.00           C  
HETATM   13  C   UNL     1       1.817  -0.101   0.407  1.00  0.00           C  
HETATM   14  C   UNL     1       3.096   2.508   0.088  1.00  0.00           C  
HETATM   15  N   UNL     1       3.421   2.455  -1.343  1.00  0.00           N  
HETATM   16  C   UNL     1       2.340  -0.609   1.597  1.00  0.00           C  
HETATM   17  C   UNL     1       3.094  -1.764   1.578  1.00  0.00           C  
HETATM   18  C   UNL     1       3.334  -2.419   0.382  1.00  0.00           C  
HETATM   19  C   UNL     1       2.818  -1.921  -0.802  1.00  0.00           C  
HETATM   20  C   UNL     1       2.056  -0.769  -0.795  1.00  0.00           C  
HETATM   21 CL   UNL     1       1.403  -0.149  -2.279  1.00  0.00          Cl  
HETATM   22 CL   UNL     1       4.285  -3.871   0.368  1.00  0.00          Cl  
HETATM   23  N   UNL     1      -5.485  -1.496  -0.331  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.137  -1.953   0.899  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.830  -0.364  -1.280  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.029  -1.199   0.797  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.045  -1.858  -1.635  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.943   2.356   1.703  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.149   2.239  -0.069  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.533  -1.276   1.627  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.531   0.198   1.647  1.00  0.00           H  
HETATM   32  H   UNL     1       1.491   5.135  -0.934  1.00  0.00           H  
HETATM   33  H   UNL     1       0.869   5.622   0.661  1.00  0.00           H  
HETATM   34  H   UNL     1       2.467   4.849   0.526  1.00  0.00           H  
HETATM   35  H   UNL     1       3.440   3.455   0.504  1.00  0.00           H  
HETATM   36  H   UNL     1       3.590   1.684   0.604  1.00  0.00           H  
HETATM   37  H   UNL     1       2.924   3.170  -1.854  1.00  0.00           H  
HETATM   38  H   UNL     1       4.417   2.532  -1.491  1.00  0.00           H  
HETATM   39  H   UNL     1       2.154  -0.099   2.530  1.00  0.00           H  
HETATM   40  H   UNL     1       3.499  -2.157   2.499  1.00  0.00           H  
HETATM   41  H   UNL     1       3.008  -2.436  -1.732  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.875  -1.216   1.215  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.633  -2.907   0.715  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.389  -2.078   1.682  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.609  -2.799  -1.970  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.126  -1.970  -1.548  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.818  -1.074  -2.358  1.00  0.00           H  
CONECT    1    5    5    2   13                                       
CONECT    2    3    3   14    1                                       
CONECT    3   12    4    2    2                                       
CONECT    4    6    6    3                                            
CONECT    5    6    9    1    1                                       
CONECT    6    4    4    7    5                                       
CONECT    7    6    8   28   29                                       
CONECT    8    7   10    9                                            
CONECT    9    8    5   26   26                                       
CONECT   10   11    8   30   31                                       
CONECT   11   25   25   23   10                                       
CONECT   12    3   32   33   34                                       
CONECT   13    1   16   16   20                                       
CONECT   14    2   15   35   36                                       
CONECT   15   14   37   38                                            
CONECT   16   13   13   17   39                                       
CONECT   17   16   18   18   40                                       
CONECT   18   17   17   19   22                                       
CONECT   19   20   20   18   41                                       
CONECT   20   13   21   19   19                                       
CONECT   21   20                                                      
CONECT   22   18                                                      
CONECT   23   24   11   27                                            
CONECT   24   23   42   43   44                                       
CONECT   25   11   11                                                 
CONECT   26    9    9                                                 
CONECT   27   23   45   46   47                                       
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
