COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.106  -0.025   1.127  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.470  -0.649  -0.088  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.815  -0.306  -1.194  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.520  -1.586   0.058  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.951  -2.143  -1.156  1.00  0.00           C  
HETATM    6  C   UNL     1       0.107  -3.187  -0.792  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.498  -4.233   0.169  1.00  0.00           C  
HETATM    8  C   UNL     1       0.668  -4.515   1.153  1.00  0.00           C  
HETATM    9  C   UNL     1       1.325  -3.117   1.266  1.00  0.00           C  
HETATM   10  N   UNL     1       1.224  -2.542  -0.087  1.00  0.00           N  
HETATM   11  C   UNL     1       2.024  -1.583  -0.595  1.00  0.00           C  
HETATM   12  C   UNL     1       3.136  -1.008   0.243  1.00  0.00           C  
HETATM   13  N   UNL     1       3.855   0.008  -0.529  1.00  0.00           N  
HETATM   14  C   UNL     1       4.897   0.662   0.022  1.00  0.00           C  
HETATM   15  O   UNL     1       5.557   1.596  -0.689  1.00  0.00           O  
HETATM   16  C   UNL     1       6.669   2.260  -0.032  1.00  0.00           C  
HETATM   17  C   UNL     1       7.722   1.222   0.362  1.00  0.00           C  
HETATM   18  C   UNL     1       7.291   3.280  -0.987  1.00  0.00           C  
HETATM   19  C   UNL     1       6.166   2.977   1.223  1.00  0.00           C  
HETATM   20  O   UNL     1       5.240   0.409   1.159  1.00  0.00           O  
HETATM   21  O   UNL     1       1.849  -1.184  -1.727  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.133   0.989   0.692  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.444   0.601   0.491  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.387   1.532   0.092  1.00  0.00           C  
HETATM   25 CL   UNL     1      -8.034   1.046  -0.161  1.00  0.00          Cl  
HETATM   26  C   UNL     1      -6.016   2.850  -0.105  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.704   3.237   0.097  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.764   2.307   0.501  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.589  -0.800   1.722  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.340   0.468   1.726  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.739  -2.614  -1.743  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.490  -1.347  -1.740  1.00  0.00           H  
HETATM   33  H   UNL     1       0.469  -3.678  -1.695  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.357  -3.821   0.697  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.774  -5.139  -0.372  1.00  0.00           H  
HETATM   36  H   UNL     1       0.291  -4.850   2.119  1.00  0.00           H  
HETATM   37  H   UNL     1       1.365  -5.241   0.735  1.00  0.00           H  
HETATM   38  H   UNL     1       0.782  -2.500   1.982  1.00  0.00           H  
HETATM   39  H   UNL     1       2.370  -3.211   1.562  1.00  0.00           H  
HETATM   40  H   UNL     1       2.717  -0.553   1.141  1.00  0.00           H  
HETATM   41  H   UNL     1       3.826  -1.803   0.527  1.00  0.00           H  
HETATM   42  H   UNL     1       3.581   0.211  -1.438  1.00  0.00           H  
HETATM   43  H   UNL     1       8.080   0.711  -0.532  1.00  0.00           H  
HETATM   44  H   UNL     1       8.557   1.720   0.855  1.00  0.00           H  
HETATM   45  H   UNL     1       7.279   0.495   1.043  1.00  0.00           H  
HETATM   46  H   UNL     1       6.541   4.019  -1.268  1.00  0.00           H  
HETATM   47  H   UNL     1       8.125   3.778  -0.494  1.00  0.00           H  
HETATM   48  H   UNL     1       7.649   2.769  -1.881  1.00  0.00           H  
HETATM   49  H   UNL     1       5.723   2.250   1.904  1.00  0.00           H  
HETATM   50  H   UNL     1       7.000   3.475   1.716  1.00  0.00           H  
HETATM   51  H   UNL     1       5.416   3.716   0.942  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.732  -0.428   0.644  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.752   3.577  -0.417  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.415   4.266  -0.057  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.740   2.611   0.663  1.00  0.00           H  
CONECT    1    2   22   29   30                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5                                                 
CONECT    5    4    6   31   32                                       
CONECT    6    5    7   10   33                                       
CONECT    7    6    8   34   35                                       
CONECT    8    7    9   36   37                                       
CONECT    9    8   10   38   39                                       
CONECT   10    6    9   11                                            
CONECT   11   10   12   21   21                                       
CONECT   12   11   13   40   41                                       
CONECT   13   12   14   42                                            
CONECT   14   13   15   20   20                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   18   19                                       
CONECT   17   16   43   44   45                                       
CONECT   18   16   46   47   48                                       
CONECT   19   16   49   50   51                                       
CONECT   20   14   14                                                 
CONECT   21   11   11                                                 
CONECT   22    1   23   23   28                                       
CONECT   23   22   22   24   52                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24                                                      
CONECT   26   24   24   27   53                                       
CONECT   27   26   28   28   54                                       
CONECT   28   22   27   27   55                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   23                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
