COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.124   0.189  -0.822  1.00  0.00           C  
HETATM    2  C   UNL     1       5.549   0.861  -1.972  1.00  0.00           C  
HETATM    3  C   UNL     1       5.857   0.306   0.361  1.00  0.00           C  
HETATM    4  C   UNL     1       6.692   1.632  -1.937  1.00  0.00           C  
HETATM    5  C   UNL     1       7.002   1.080   0.388  1.00  0.00           C  
HETATM    6  C   UNL     1       7.423   1.742  -0.763  1.00  0.00           C  
HETATM    7  C   UNL     1       1.827  -2.641  -0.711  1.00  0.00           C  
HETATM    8  N   UNL     1       3.537  -1.235   0.217  1.00  0.00           N  
HETATM    9  C   UNL     1       3.144  -0.740  -2.153  1.00  0.00           C  
HETATM   10  C   UNL     1       3.902  -0.635  -0.857  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.600  -0.660   1.735  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.025   0.900   2.649  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.574  -1.574   1.533  1.00  0.00           C  
HETATM   14  C   UNL     1       0.994  -0.012   2.447  1.00  0.00           C  
HETATM   15  C   UNL     1       0.720  -1.247   1.889  1.00  0.00           C  
HETATM   16  C   UNL     1       7.228   0.490   2.681  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.042  -0.330   0.689  1.00  0.00           O  
HETATM   18  C   UNL     1      -7.307   0.226  -0.009  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.197   1.363  -0.514  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.496   1.965  -0.980  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.807   2.684   0.334  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.599  -0.124  -1.814  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.915  -0.901  -1.754  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.341   1.095   0.749  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.751  -0.034   0.933  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.886   0.749   0.209  1.00  0.00           C  
HETATM   27  N   UNL     1      -9.562   0.860  -0.724  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.913  -0.990   1.380  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.321   0.580   2.295  1.00  0.00           C  
HETATM   30  C   UNL     1       1.834  -2.238   1.671  1.00  0.00           C  
HETATM   31  N   UNL     1       2.411  -2.038   0.339  1.00  0.00           N  
HETATM   32  S   UNL     1       2.492  -2.421  -2.330  1.00  0.00           S  
HETATM   33  O   UNL     1       0.846  -3.340  -0.545  1.00  0.00           O  
HETATM   34  O   UNL     1       7.718   1.196   1.539  1.00  0.00           O  
HETATM   35  O   UNL     1       8.549   2.502  -0.735  1.00  0.00           O  
HETATM   36  C   UNL     1       8.920   3.158  -1.949  1.00  0.00           C  
HETATM   37  H   UNL     1       4.982   0.776  -2.887  1.00  0.00           H  
HETATM   38  H   UNL     1       5.530  -0.208   1.253  1.00  0.00           H  
HETATM   39  H   UNL     1       7.019   2.150  -2.826  1.00  0.00           H  
HETATM   40  H   UNL     1       2.318  -0.029  -2.150  1.00  0.00           H  
HETATM   41  H   UNL     1       3.811  -0.519  -2.986  1.00  0.00           H  
HETATM   42  H   UNL     1       0.192   1.865   3.085  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.788  -2.539   1.097  1.00  0.00           H  
HETATM   44  H   UNL     1       2.007   0.241   2.725  1.00  0.00           H  
HETATM   45  H   UNL     1       7.890   0.667   3.529  1.00  0.00           H  
HETATM   46  H   UNL     1       6.225   0.842   2.923  1.00  0.00           H  
HETATM   47  H   UNL     1       7.196  -0.577   2.462  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.703  -0.154   0.933  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.290  -0.577  -0.746  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.215   2.166   0.223  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.801   1.743  -1.456  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.418   1.569  -1.405  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.045   2.667  -1.681  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.157   1.961   1.070  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.905   3.172   0.704  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.581   3.433   0.164  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.763  -0.815  -1.708  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.524   0.392  -2.772  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.019  -1.365  -0.773  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.748  -0.219  -1.924  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.916  -1.674  -2.523  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.904   1.552   0.947  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.490   1.129  -0.732  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.220  -1.907   1.456  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.117   1.293   2.453  1.00  0.00           H  
HETATM   66  H   UNL     1       2.605  -2.090   2.427  1.00  0.00           H  
HETATM   67  H   UNL     1       1.439  -3.251   1.748  1.00  0.00           H  
HETATM   68  H   UNL     1       9.089   2.414  -2.727  1.00  0.00           H  
HETATM   69  H   UNL     1       8.120   3.831  -2.257  1.00  0.00           H  
HETATM   70  H   UNL     1       9.834   3.730  -1.789  1.00  0.00           H  
CONECT    1    2   10    3    3                                       
CONECT    2    4    4    1   37                                       
CONECT    3    1    1    5   38                                       
CONECT    4    2    2    6   39                                       
CONECT    5    6    6    3   34                                       
CONECT    6    4   35    5    5                                       
CONECT    7   31   33   33   32                                       
CONECT    8   31   10   10                                            
CONECT    9   10   32   40   41                                       
CONECT   10    8    8    1    9                                       
CONECT   11   28   13   13   29                                       
CONECT   12   29   29   14   42                                       
CONECT   13   11   11   15   43                                       
CONECT   14   15   15   12   44                                       
CONECT   15   13   30   14   14                                       
CONECT   16   34   45   46   47                                       
CONECT   17   26   25                                                 
CONECT   18   19   26   48   49                                       
CONECT   19   27   18   50   51                                       
CONECT   20   21   27   52   53                                       
CONECT   21   20   54   55   56                                       
CONECT   22   27   23   57   58                                       
CONECT   23   22   59   60   61                                       
CONECT   24   25   25                                                 
CONECT   25   17   28   24   24                                       
CONECT   26   17   18   62   63                                       
CONECT   27   20   19   22                                            
CONECT   28   25   11   64                                            
CONECT   29   11   12   12   65                                       
CONECT   30   15   31   66   67                                       
CONECT   31   30    8    7                                            
CONECT   32    7    9                                                 
CONECT   33    7    7                                                 
CONECT   34    5   16                                                 
CONECT   35   36    6                                                 
CONECT   36   35   68   69   70                                       
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
