COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.688   1.314   0.352  1.00  0.00           C  
HETATM    2  S   UNL     1       3.704   1.665  -1.132  1.00  0.00           S  
HETATM    3  C   UNL     1       5.540   2.512   0.684  1.00  0.00           C  
HETATM    4  C   UNL     1       6.810   2.627   0.151  1.00  0.00           C  
HETATM    5  C   UNL     1       7.589   3.728   0.452  1.00  0.00           C  
HETATM    6  C   UNL     1       7.103   4.709   1.296  1.00  0.00           C  
HETATM    7  C   UNL     1       5.833   4.595   1.829  1.00  0.00           C  
HETATM    8  C   UNL     1       5.051   3.496   1.523  1.00  0.00           C  
HETATM    9  O   UNL     1       4.551   1.873  -2.254  1.00  0.00           O  
HETATM   10  O   UNL     1       2.653   2.572  -0.829  1.00  0.00           O  
HETATM   11  N   UNL     1       2.931   0.239  -1.461  1.00  0.00           N  
HETATM   12  C   UNL     1       1.968  -0.311  -0.503  1.00  0.00           C  
HETATM   13  C   UNL     1       2.070  -1.837  -0.497  1.00  0.00           C  
HETATM   14  C   UNL     1       3.441  -2.254   0.037  1.00  0.00           C  
HETATM   15  C   UNL     1       3.586  -3.774  -0.060  1.00  0.00           C  
HETATM   16  N   UNL     1       4.900  -4.174   0.451  1.00  0.00           N  
HETATM   17  C   UNL     1       5.258  -5.501   0.464  1.00  0.00           C  
HETATM   18  N   UNL     1       4.383  -6.454  -0.004  1.00  0.00           N  
HETATM   19  N   UNL     1       6.426  -5.857   0.919  1.00  0.00           N  
HETATM   20  C   UNL     1       0.573   0.098  -0.903  1.00  0.00           C  
HETATM   21  O   UNL     1       0.401   0.781  -1.890  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.482  -0.296  -0.163  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.838   0.101  -0.551  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.828  -0.464   0.435  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.440  -1.133   1.369  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.146  -0.226   0.277  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.108  -0.776   1.235  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.503  -0.367   0.836  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.240  -1.172  -0.015  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.519  -0.806  -0.379  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.065   0.383   0.103  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.436   0.784  -0.289  1.00  0.00           C  
HETATM   33  N   UNL     1     -10.943   1.895   0.163  1.00  0.00           N  
HETATM   34  N   UNL     1     -11.174  -0.018  -1.132  1.00  0.00           N  
HETATM   35  C   UNL     1      -8.316   1.193   0.956  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.039   0.813   1.317  1.00  0.00           C  
HETATM   37  H   UNL     1       5.330   0.452   0.166  1.00  0.00           H  
HETATM   38  H   UNL     1       4.022   1.099   1.187  1.00  0.00           H  
HETATM   39  H   UNL     1       7.192   1.858  -0.504  1.00  0.00           H  
HETATM   40  H   UNL     1       8.582   3.818   0.036  1.00  0.00           H  
HETATM   41  H   UNL     1       7.714   5.567   1.535  1.00  0.00           H  
HETATM   42  H   UNL     1       5.451   5.363   2.485  1.00  0.00           H  
HETATM   43  H   UNL     1       4.059   3.406   1.940  1.00  0.00           H  
HETATM   44  H   UNL     1       3.115  -0.233  -2.289  1.00  0.00           H  
HETATM   45  H   UNL     1       2.188   0.072   0.493  1.00  0.00           H  
HETATM   46  H   UNL     1       1.290  -2.251   0.143  1.00  0.00           H  
HETATM   47  H   UNL     1       1.945  -2.214  -1.512  1.00  0.00           H  
HETATM   48  H   UNL     1       4.222  -1.776  -0.554  1.00  0.00           H  
HETATM   49  H   UNL     1       3.535  -1.947   1.079  1.00  0.00           H  
HETATM   50  H   UNL     1       2.805  -4.252   0.531  1.00  0.00           H  
HETATM   51  H   UNL     1       3.493  -4.082  -1.102  1.00  0.00           H  
HETATM   52  H   UNL     1       5.516  -3.502   0.781  1.00  0.00           H  
HETATM   53  H   UNL     1       3.514  -6.189  -0.342  1.00  0.00           H  
HETATM   54  H   UNL     1       4.636  -7.390   0.005  1.00  0.00           H  
HETATM   55  H   UNL     1       6.679  -6.793   0.927  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.344  -0.842   0.627  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.911   1.189  -0.555  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.057  -0.282  -1.547  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.456   0.308  -0.470  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.036  -1.863   1.240  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.889  -0.393   2.232  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.814  -2.090  -0.391  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.095  -1.437  -1.040  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.841   2.158  -0.094  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.796  -0.845  -1.469  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.072   0.245  -1.389  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.733   2.115   1.332  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.458   1.439   1.978  1.00  0.00           H  
CONECT    1    3    2   37   38                                       
CONECT    2    1    9    9   11                                       
CONECT    2   10   10                                                 
CONECT    3    8    4    4    1                                       
CONECT    4    3    3    5   39                                       
CONECT    5    6    6    4   40                                       
CONECT    6    5    5    7   41                                       
CONECT    7    6    8    8   42                                       
CONECT    8    7    7    3   43                                       
CONECT    9    2    2                                                 
CONECT   10    2    2                                                 
CONECT   11    2   12   44                                            
CONECT   12   11   20   13   45                                       
CONECT   13   12   14   46   47                                       
CONECT   14   13   15   48   49                                       
CONECT   15   14   16   50   51                                       
CONECT   16   15   17   52                                            
CONECT   17   16   19   19   18                                       
CONECT   18   17   53   54                                            
CONECT   19   17   17   55                                            
CONECT   20   12   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   56                                            
CONECT   23   22   24   57   58                                       
CONECT   24   23   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   59                                            
CONECT   27   26   28   60   61                                       
CONECT   28   27   36   36   29                                       
CONECT   29   28   30   30   62                                       
CONECT   30   31   29   29   63                                       
CONECT   31   35   35   30   32                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32   64                                            
CONECT   34   32   65   66                                            
CONECT   35   36   31   31   67                                       
CONECT   36   28   28   35   68                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
