COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.276   1.023   8.319  1.00  0.00           C  
HETATM    2  C   UNL     1       0.308   1.067   6.906  1.00  0.00           C  
HETATM    3  C   UNL     1       0.357   2.516   6.418  1.00  0.00           C  
HETATM    4  C   UNL     1       1.723   0.485   6.921  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.558   0.254   5.979  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.339   0.063   4.612  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.339  -0.728   4.136  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.493  -1.158   2.818  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.600  -0.788   1.879  1.00  0.00           C  
HETATM   10  O   UNL     1       0.340  -0.080   2.181  1.00  0.00           O  
HETATM   11  N   UNL     1      -0.750  -1.204   0.606  1.00  0.00           N  
HETATM   12  C   UNL     1       0.239  -0.922  -0.342  1.00  0.00           C  
HETATM   13  C   UNL     1       1.580  -0.957   0.019  1.00  0.00           C  
HETATM   14  C   UNL     1       2.554  -0.679  -0.919  1.00  0.00           C  
HETATM   15  C   UNL     1       2.196  -0.366  -2.218  1.00  0.00           C  
HETATM   16 CL   UNL     1       3.423  -0.017  -3.396  1.00  0.00          Cl  
HETATM   17  C   UNL     1       0.861  -0.330  -2.581  1.00  0.00           C  
HETATM   18  C   UNL     1       0.474   0.010  -3.997  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.948  -0.017  -4.122  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.235   0.296  -5.413  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.555   0.351  -5.849  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.798   0.675  -7.174  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.730   0.932  -8.013  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.490   0.871  -7.568  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.216   0.572  -6.313  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.117  -0.613  -1.648  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.155  -1.021   5.174  1.00  0.00           N  
HETATM   28  N   UNL     1      -1.641  -0.397   6.317  1.00  0.00           N  
HETATM   29  H   UNL     1       0.350   1.611   8.990  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.284   1.437   8.308  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.311  -0.008   8.666  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.650   2.930   6.407  1.00  0.00           H  
HETATM   33  H   UNL     1       0.984   3.104   7.089  1.00  0.00           H  
HETATM   34  H   UNL     1       0.774   2.547   5.412  1.00  0.00           H  
HETATM   35  H   UNL     1       1.688  -0.546   7.269  1.00  0.00           H  
HETATM   36  H   UNL     1       2.140   0.516   5.915  1.00  0.00           H  
HETATM   37  H   UNL     1       2.350   1.073   7.592  1.00  0.00           H  
HETATM   38  H   UNL     1       0.478   0.470   4.035  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.244  -1.724   2.578  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.543  -1.698   0.347  1.00  0.00           H  
HETATM   41  H   UNL     1       1.860  -1.201   1.033  1.00  0.00           H  
HETATM   42  H   UNL     1       3.597  -0.706  -0.638  1.00  0.00           H  
HETATM   43  H   UNL     1       0.841   1.007  -4.244  1.00  0.00           H  
HETATM   44  H   UNL     1       0.914  -0.717  -4.679  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.371   0.145  -5.172  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.810   0.726  -7.547  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.913   1.185  -9.047  1.00  0.00           H  
HETATM   48  H   UNL     1       0.811   0.532  -5.985  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.158  -0.585  -1.931  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.955  -1.569   5.134  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3    4    5                                       
CONECT    3    2   32   33   34                                       
CONECT    4    2   35   36   37                                       
CONECT    5    2    6   28   28                                       
CONECT    6    5    7    7   38                                       
CONECT    7    6    6    8   27                                       
CONECT    8    7    9   39                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   40                                            
CONECT   12   11   13   13   26                                       
CONECT   13   12   12   14   41                                       
CONECT   14   13   15   15   42                                       
CONECT   15   14   14   16   17                                       
CONECT   16   15                                                      
CONECT   17   15   18   26   26                                       
CONECT   18   17   19   43   44                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   45                                       
CONECT   22   21   23   23   46                                       
CONECT   23   22   22   24   47                                       
CONECT   24   23   25   25                                            
CONECT   25   20   24   24   48                                       
CONECT   26   12   17   17   49                                       
CONECT   27    7   28   50                                            
CONECT   28    5    5   27                                            
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
