COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.967   0.001   1.232  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.485   0.093   1.407  1.00  0.00           C  
HETATM    3  N   UNL     1     -10.144  -0.274   0.146  1.00  0.00           N  
HETATM    4  C   UNL     1     -11.606  -0.271   0.296  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.724   0.617  -0.944  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.206   0.524  -1.119  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.547   0.892   0.142  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.155   0.888  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.555   1.669  -0.980  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.181   1.666  -1.120  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.373   0.108   0.841  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.999   0.105   0.701  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.400   0.882  -0.282  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.006   0.878  -0.425  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.286  -0.275  -0.158  1.00  0.00           C  
HETATM   16  N   UNL     1       0.037  -0.231  -0.197  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.938  -1.390   0.135  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.287  -2.514   0.397  1.00  0.00           C  
HETATM   19  C   UNL     1       0.094  -2.519   0.363  1.00  0.00           C  
HETATM   20  C   UNL     1       0.758  -1.324   0.056  1.00  0.00           C  
HETATM   21  C   UNL     1       2.233  -1.276   0.011  1.00  0.00           C  
HETATM   22  N   UNL     1       2.992  -0.145  -0.177  1.00  0.00           N  
HETATM   23  C   UNL     1       2.467   1.210  -0.366  1.00  0.00           C  
HETATM   24  C   UNL     1       3.065  -2.342   0.156  1.00  0.00           C  
HETATM   25  C   UNL     1       4.391  -1.862   0.049  1.00  0.00           C  
HETATM   26  C   UNL     1       5.622  -2.662   0.142  1.00  0.00           C  
HETATM   27  O   UNL     1       6.707  -2.124   0.032  1.00  0.00           O  
HETATM   28  N   UNL     1       5.547  -3.992   0.350  1.00  0.00           N  
HETATM   29  C   UNL     1       4.309  -0.486  -0.158  1.00  0.00           C  
HETATM   30  C   UNL     1       5.449   0.437  -0.326  1.00  0.00           C  
HETATM   31  C   UNL     1       6.020   1.055   0.789  1.00  0.00           C  
HETATM   32  C   UNL     1       7.086   1.917   0.625  1.00  0.00           C  
HETATM   33 CL   UNL     1       7.798   2.687   2.008  1.00  0.00          Cl  
HETATM   34  C   UNL     1       7.588   2.168  -0.641  1.00  0.00           C  
HETATM   35  C   UNL     1       7.026   1.559  -1.748  1.00  0.00           C  
HETATM   36  C   UNL     1       5.964   0.691  -1.598  1.00  0.00           C  
HETATM   37  C   UNL     1       5.358   0.024  -2.806  1.00  0.00           C  
HETATM   38  H   UNL     1      -7.475   0.301   2.157  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.691  -1.026   0.989  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.802  -0.589   2.196  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.758   1.114   1.676  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.938   0.726   0.587  1.00  0.00           H  
HETATM   43  H   UNL     1     -12.068  -0.546  -0.652  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.894  -0.988   1.064  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.216   0.317  -1.869  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.000   1.643  -0.701  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.933  -0.496  -1.388  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.889   1.206  -1.908  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.163   2.278  -1.632  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.839  -0.496   1.605  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.715   2.273  -1.882  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.391  -0.502   1.355  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.546   1.683  -0.711  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.830  -3.416   0.635  1.00  0.00           H  
HETATM   55  H   UNL     1       0.649  -3.421   0.573  1.00  0.00           H  
HETATM   56  H   UNL     1       2.768  -3.366   0.322  1.00  0.00           H  
HETATM   57  H   UNL     1       2.268   1.662   0.605  1.00  0.00           H  
HETATM   58  H   UNL     1       3.200   1.812  -0.904  1.00  0.00           H  
HETATM   59  H   UNL     1       1.542   1.164  -0.942  1.00  0.00           H  
HETATM   60  H   UNL     1       4.681  -4.421   0.438  1.00  0.00           H  
HETATM   61  H   UNL     1       6.359  -4.519   0.411  1.00  0.00           H  
HETATM   62  H   UNL     1       5.629   0.860   1.777  1.00  0.00           H  
HETATM   63  H   UNL     1       8.422   2.844  -0.764  1.00  0.00           H  
HETATM   64  H   UNL     1       7.423   1.760  -2.733  1.00  0.00           H  
HETATM   65  H   UNL     1       4.559   0.650  -3.204  1.00  0.00           H  
HETATM   66  H   UNL     1       6.125  -0.115  -3.568  1.00  0.00           H  
HETATM   67  H   UNL     1       4.951  -0.946  -2.519  1.00  0.00           H  
CONECT    1    2    7   38   39                                       
CONECT    2    1    3   40   41                                       
CONECT    3    2    4    5                                            
CONECT    4    3   42   43   44                                       
CONECT    5    3    6   45   46                                       
CONECT    6    5    7   47   48                                       
CONECT    7    1    6    8                                            
CONECT    8    7    9   11   11                                       
CONECT    9    8   10   10   49                                       
CONECT   10    9    9   13   51                                       
CONECT   11    8    8   12   50                                       
CONECT   12   11   13   13   52                                       
CONECT   13   10   12   12   14                                       
CONECT   14   13   15   53                                            
CONECT   15   14   16   17   17                                       
CONECT   16   15   20   20                                            
CONECT   17   15   15   18                                            
CONECT   18   17   19   19   54                                       
CONECT   19   18   18   20   55                                       
CONECT   20   16   16   19   21                                       
CONECT   21   20   22   24   24                                       
CONECT   22   21   23   29                                            
CONECT   23   22   57   58   59                                       
CONECT   24   21   21   25   56                                       
CONECT   25   24   26   29   29                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   60   61                                            
CONECT   29   22   25   25   30                                       
CONECT   30   29   31   36   36                                       
CONECT   31   30   32   32   62                                       
CONECT   32   31   31   33   34                                       
CONECT   33   32                                                      
CONECT   34   32   35   35   63                                       
CONECT   35   34   34   36   64                                       
CONECT   36   30   30   35   37                                       
CONECT   37   36   65   66   67                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   24                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   31                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
