COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.790   0.335   9.042  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.512   0.212   8.819  1.00  0.00           C  
HETATM    3  N   UNL     1       0.369   0.180   9.874  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.045   0.114   7.530  1.00  0.00           N  
HETATM    5  O   UNL     1      -0.952   0.146   6.444  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.174   0.025   5.251  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.100   0.054   4.033  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.266  -0.075   2.757  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.131  -0.049   1.619  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.338  -0.167   0.521  1.00  0.00           C  
HETATM   11  C   UNL     1       1.036  -0.282   0.667  1.00  0.00           C  
HETATM   12  C   UNL     1       1.848  -0.404  -0.446  1.00  0.00           C  
HETATM   13  C   UNL     1       1.293  -0.411  -1.711  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.088  -0.295  -1.867  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.905  -0.178  -0.742  1.00  0.00           C  
HETATM   16 CL   UNL     1       3.567  -0.548  -0.253  1.00  0.00          Cl  
HETATM   17  C   UNL     1      -0.685  -0.302  -3.219  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.690  -0.951  -3.437  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.115   0.409  -4.211  1.00  0.00           N  
HETATM   20  C   UNL     1       1.110   1.169  -3.956  1.00  0.00           C  
HETATM   21  C   UNL     1       2.277   0.473  -4.609  1.00  0.00           C  
HETATM   22  C   UNL     1       2.991   1.098  -5.512  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.722   0.424  -5.545  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.021   1.257  -5.525  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.975   0.495  -6.478  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.648  -0.987  -6.175  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.121  -1.002  -5.958  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.412   0.357   8.298  1.00  0.00           H  
HETATM   29  H   UNL     1       0.039   0.249  10.784  1.00  0.00           H  
HETATM   30  H   UNL     1       1.320   0.085   9.709  1.00  0.00           H  
HETATM   31  H   UNL     1       0.906   0.022   7.364  1.00  0.00           H  
HETATM   32  H   UNL     1       0.373  -0.916   5.269  1.00  0.00           H  
HETATM   33  H   UNL     1       0.530   0.854   5.192  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.648   0.996   4.015  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.804  -0.775   4.093  1.00  0.00           H  
HETATM   36  H   UNL     1       0.281  -1.017   2.775  1.00  0.00           H  
HETATM   37  H   UNL     1       0.438   0.753   2.697  1.00  0.00           H  
HETATM   38  H   UNL     1       1.475  -0.277   1.654  1.00  0.00           H  
HETATM   39  H   UNL     1       1.929  -0.505  -2.579  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.975  -0.089  -0.856  1.00  0.00           H  
HETATM   41  H   UNL     1       1.281   1.234  -2.882  1.00  0.00           H  
HETATM   42  H   UNL     1       1.009   2.173  -4.370  1.00  0.00           H  
HETATM   43  H   UNL     1       2.525  -0.540  -4.332  1.00  0.00           H  
HETATM   44  H   UNL     1       3.827   0.599  -5.979  1.00  0.00           H  
HETATM   45  H   UNL     1       2.744   2.112  -5.789  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.022   0.841  -6.269  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.436   1.292  -4.517  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.834   2.264  -5.897  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.754   0.735  -7.518  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.015   0.718  -6.242  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.920  -1.618  -7.021  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.165  -1.315  -5.273  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.615  -1.278  -6.883  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.863  -1.706  -5.167  1.00  0.00           H  
CONECT    1    2    2   28                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   29   30                                            
CONECT    4    2    5   31                                            
CONECT    5    4    6                                                 
CONECT    6    5    7   32   33                                       
CONECT    7    6    8   34   35                                       
CONECT    8    7    9   36   37                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   38                                       
CONECT   12   11   13   13   16                                       
CONECT   13   12   12   14   39                                       
CONECT   14   13   15   15   17                                       
CONECT   15   10   14   14   40                                       
CONECT   16   12                                                      
CONECT   17   14   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   23                                            
CONECT   20   19   21   41   42                                       
CONECT   21   20   22   22   43                                       
CONECT   22   21   21   44   45                                       
CONECT   23   19   24   27   46                                       
CONECT   24   23   25   47   48                                       
CONECT   25   24   26   49   50                                       
CONECT   26   25   27   51   52                                       
CONECT   27   23   26   53   54                                       
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
