COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.049   1.510   0.464  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.743   1.826  -1.002  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.610   1.794   0.027  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.683   0.661  -0.023  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.357   0.869   0.102  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.931   1.997   0.256  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.421  -0.274   0.051  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.050  -0.060   0.180  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.909  -1.571  -0.121  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.035  -2.640  -0.169  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.676  -2.434  -0.047  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.730  -3.607  -0.100  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.175  -1.143   0.131  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.717  -0.924   0.262  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.071  -1.246   1.423  1.00  0.00           C  
HETATM   16  C   UNL     1       0.056  -0.364  -0.860  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.501  -0.076  -1.903  1.00  0.00           O  
HETATM   18  N   UNL     1       1.383  -0.172  -0.723  1.00  0.00           N  
HETATM   19  C   UNL     1       2.157   0.385  -1.835  1.00  0.00           C  
HETATM   20  C   UNL     1       2.291   1.899  -1.655  1.00  0.00           C  
HETATM   21  N   UNL     1       2.025  -0.502   0.473  1.00  0.00           N  
HETATM   22  C   UNL     1       1.324  -1.030   1.528  1.00  0.00           C  
HETATM   23  N   UNL     1       2.190  -1.235   2.505  1.00  0.00           N  
HETATM   24  N   UNL     1       3.365  -0.873   2.127  1.00  0.00           N  
HETATM   25  C   UNL     1       3.322  -0.419   0.886  1.00  0.00           C  
HETATM   26  C   UNL     1       4.463   0.084   0.097  1.00  0.00           C  
HETATM   27  C   UNL     1       4.982   1.357   0.345  1.00  0.00           C  
HETATM   28 CL   UNL     1       4.286   2.354   1.584  1.00  0.00          Cl  
HETATM   29  C   UNL     1       6.049   1.821  -0.398  1.00  0.00           C  
HETATM   30  C   UNL     1       6.606   1.029  -1.386  1.00  0.00           C  
HETATM   31  C   UNL     1       6.098  -0.233  -1.639  1.00  0.00           C  
HETATM   32  C   UNL     1       5.034  -0.714  -0.900  1.00  0.00           C  
HETATM   33  F   UNL     1       4.540  -1.947  -1.148  1.00  0.00           F  
HETATM   34  H   UNL     1      -9.558   2.276   1.048  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.306   0.480   0.713  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.797   1.005  -1.716  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.050   2.800  -1.381  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.173   2.747   0.324  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.023  -0.239  -0.147  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.667   0.941   0.317  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.971  -1.739  -0.217  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.418  -3.641  -0.302  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.427  -3.782  -1.132  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.850  -3.391   0.506  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.230  -4.494   0.288  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.621  -1.661   2.254  1.00  0.00           H  
HETATM   47  H   UNL     1       3.148  -0.068  -1.851  1.00  0.00           H  
HETATM   48  H   UNL     1       1.646   0.175  -2.775  1.00  0.00           H  
HETATM   49  H   UNL     1       2.866   2.313  -2.483  1.00  0.00           H  
HETATM   50  H   UNL     1       1.300   2.352  -1.639  1.00  0.00           H  
HETATM   51  H   UNL     1       2.802   2.109  -0.716  1.00  0.00           H  
HETATM   52  H   UNL     1       6.451   2.805  -0.207  1.00  0.00           H  
HETATM   53  H   UNL     1       7.440   1.398  -1.964  1.00  0.00           H  
HETATM   54  H   UNL     1       6.541  -0.847  -2.409  1.00  0.00           H  
CONECT    1    3    2   34   35                                       
CONECT    2    3    1   36   37                                       
CONECT    3    4    1    2   38                                       
CONECT    4    5    3   39                                            
CONECT    5    7    4    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    9    9    8    5                                       
CONECT    8   13   13    7   40                                       
CONECT    9   10    7    7   41                                       
CONECT   10   11   11    9   42                                       
CONECT   11   12   10   10   13                                       
CONECT   12   11   43   44   45                                       
CONECT   13   11   14    8    8                                       
CONECT   14   16   13   15   15                                       
CONECT   15   14   14   22   46                                       
CONECT   16   17   17   18   14                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   21                                            
CONECT   19   20   18   47   48                                       
CONECT   20   19   49   50   51                                       
CONECT   21   18   25   22                                            
CONECT   22   21   15   23   23                                       
CONECT   23   22   22   24                                            
CONECT   24   25   25   23                                            
CONECT   25   26   21   24   24                                       
CONECT   26   32   25   27   27                                       
CONECT   27   26   26   29   28                                       
CONECT   28   27                                                      
CONECT   29   30   30   27   52                                       
CONECT   30   31   29   29   53                                       
CONECT   31   32   32   30   54                                       
CONECT   32   33   31   31   26                                       
CONECT   33   32                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
