COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.759  -0.180   2.537  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.840   0.193   1.373  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.477   0.019   1.766  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.714   0.363   0.699  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.312   0.785  -0.478  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.534   1.135  -1.563  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.152   1.074  -1.484  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.540   0.664  -0.320  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.315   0.306   0.786  1.00  0.00           C  
HETATM   10  S   UNL     1      -0.173   1.525  -2.878  1.00  0.00           S  
HETATM   11  O   UNL     1      -0.996   2.369  -3.671  1.00  0.00           O  
HETATM   12  O   UNL     1       1.102   1.872  -2.358  1.00  0.00           O  
HETATM   13  C   UNL     1       2.694  -2.940  -6.821  1.00  0.00           C  
HETATM   14  N   UNL     1       0.065   0.155  -3.778  1.00  0.00           N  
HETATM   15  C   UNL     1       1.225  -0.716  -3.540  1.00  0.00           C  
HETATM   16  C   UNL     1       1.900  -1.007  -4.880  1.00  0.00           C  
HETATM   17  N   UNL     1       0.923  -1.584  -5.810  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.065  -0.542  -6.109  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.873  -0.223  -4.847  1.00  0.00           C  
HETATM   20  C   UNL     1       1.642  -1.856  -7.062  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.667  -0.133   2.034  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.199  -1.132   2.706  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.655  -1.575   3.855  1.00  0.00           C  
HETATM   24  C   UNL     1       0.564  -0.928   4.357  1.00  0.00           C  
HETATM   25  N   UNL     1       1.101   0.118   3.631  1.00  0.00           N  
HETATM   26  N   UNL     1       0.462   0.510   2.450  1.00  0.00           N  
HETATM   27  O   UNL     1      -1.161  -2.501   4.464  1.00  0.00           O  
HETATM   28  C   UNL     1       1.364  -1.101   5.440  1.00  0.00           C  
HETATM   29  N   UNL     1       2.347  -0.199   5.366  1.00  0.00           N  
HETATM   30  C   UNL     1       2.197   0.528   4.287  1.00  0.00           C  
HETATM   31  C   UNL     1       1.177  -2.126   6.530  1.00  0.00           C  
HETATM   32  C   UNL     1       3.105   1.650   3.856  1.00  0.00           C  
HETATM   33  C   UNL     1       4.217   1.092   2.964  1.00  0.00           C  
HETATM   34  C   UNL     1       5.140   2.232   2.526  1.00  0.00           C  
HETATM   35  H   UNL     1      -6.798  -0.048   2.237  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.591  -1.221   2.813  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.543   0.461   3.391  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.008   1.234   1.097  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.056  -0.448   0.519  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.389   0.835  -0.548  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.005   1.459  -2.479  1.00  0.00           H  
HETATM   42  H   UNL     1       0.537   0.619  -0.263  1.00  0.00           H  
HETATM   43  H   UNL     1       3.228  -3.141  -7.750  1.00  0.00           H  
HETATM   44  H   UNL     1       3.400  -2.598  -6.064  1.00  0.00           H  
HETATM   45  H   UNL     1       2.205  -3.851  -6.477  1.00  0.00           H  
HETATM   46  H   UNL     1       1.930  -0.219  -2.874  1.00  0.00           H  
HETATM   47  H   UNL     1       0.889  -1.650  -3.088  1.00  0.00           H  
HETATM   48  H   UNL     1       2.718  -1.712  -4.730  1.00  0.00           H  
HETATM   49  H   UNL     1       2.293  -0.079  -5.295  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.738  -0.894  -6.891  1.00  0.00           H  
HETATM   51  H   UNL     1       0.446   0.357  -6.449  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.440  -1.103  -4.542  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.555   0.602  -5.046  1.00  0.00           H  
HETATM   54  H   UNL     1       0.936  -2.197  -7.819  1.00  0.00           H  
HETATM   55  H   UNL     1       2.131  -0.944  -7.406  1.00  0.00           H  
HETATM   56  H   UNL     1       0.822   1.242   1.926  1.00  0.00           H  
HETATM   57  H   UNL     1       0.559  -1.704   7.323  1.00  0.00           H  
HETATM   58  H   UNL     1       0.688  -3.009   6.118  1.00  0.00           H  
HETATM   59  H   UNL     1       2.149  -2.405   6.936  1.00  0.00           H  
HETATM   60  H   UNL     1       2.530   2.390   3.299  1.00  0.00           H  
HETATM   61  H   UNL     1       3.546   2.119   4.735  1.00  0.00           H  
HETATM   62  H   UNL     1       4.792   0.352   3.521  1.00  0.00           H  
HETATM   63  H   UNL     1       3.776   0.623   2.085  1.00  0.00           H  
HETATM   64  H   UNL     1       5.931   1.834   1.891  1.00  0.00           H  
HETATM   65  H   UNL     1       4.564   2.971   1.970  1.00  0.00           H  
HETATM   66  H   UNL     1       5.580   2.701   3.406  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    1    3   38   39                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   40                                       
CONECT    6    5    7    7   41                                       
CONECT    7    6    6    8   10                                       
CONECT    8    7    9    9   42                                       
CONECT    9    4    8    8   21                                       
CONECT   10    7   11   11   12                                       
CONECT   10   12   14                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   20   43   44   45                                       
CONECT   14   10   15   19                                            
CONECT   15   14   16   46   47                                       
CONECT   16   15   17   48   49                                       
CONECT   17   16   18   20                                            
CONECT   18   17   19   50   51                                       
CONECT   19   14   18   52   53                                       
CONECT   20   13   17   54   55                                       
CONECT   21    9   22   22   26                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   27   27                                       
CONECT   24   23   25   28   28                                       
CONECT   25   24   26   30                                            
CONECT   26   21   25   56                                            
CONECT   27   23   23                                                 
CONECT   28   24   24   29   31                                       
CONECT   29   28   30   30                                            
CONECT   30   25   29   29   32                                       
CONECT   31   28   57   58   59                                       
CONECT   32   30   33   60   61                                       
CONECT   33   32   34   62   63                                       
CONECT   34   33   64   65   66                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   26                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
