COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.311  -2.757  -0.553  1.00  0.00           C  
HETATM    2  O   UNL     1       9.330  -3.328  -1.248  1.00  0.00           O  
HETATM    3  C   UNL     1       8.973  -4.214  -2.311  1.00  0.00           C  
HETATM    4  C   UNL     1       8.585  -1.887   0.492  1.00  0.00           C  
HETATM    5  C   UNL     1       7.548  -1.307   1.197  1.00  0.00           C  
HETATM    6  C   UNL     1       6.238  -1.594   0.862  1.00  0.00           C  
HETATM    7  C   UNL     1       5.962  -2.461  -0.179  1.00  0.00           C  
HETATM    8  C   UNL     1       6.995  -3.039  -0.891  1.00  0.00           C  
HETATM    9  S   UNL     1       4.917  -0.854   1.764  1.00  0.00           S  
HETATM   10  O   UNL     1       3.776  -1.672   1.548  1.00  0.00           O  
HETATM   11  O   UNL     1       5.429  -0.559   3.056  1.00  0.00           O  
HETATM   12  N   UNL     1       4.590   0.603   1.047  1.00  0.00           N  
HETATM   13  C   UNL     1       5.356   1.793   1.424  1.00  0.00           C  
HETATM   14  C   UNL     1       6.139   2.302   0.212  1.00  0.00           C  
HETATM   15  C   UNL     1       6.861   3.599   0.580  1.00  0.00           C  
HETATM   16  C   UNL     1       7.165   1.249  -0.210  1.00  0.00           C  
HETATM   17  C   UNL     1       3.535   0.701   0.035  1.00  0.00           C  
HETATM   18  C   UNL     1       2.232   1.149   0.699  1.00  0.00           C  
HETATM   19  O   UNL     1       2.389   2.474   1.211  1.00  0.00           O  
HETATM   20  C   UNL     1       1.102   1.131  -0.332  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.168   1.444   0.329  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.329   1.016  -0.204  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.323   0.369  -1.234  1.00  0.00           O  
HETATM   24  C   UNL     1       1.383   2.175  -1.415  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.824   2.819  -2.404  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.782   2.731  -3.396  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.579   1.897  -4.480  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.419   1.151  -4.571  1.00  0.00           C  
HETATM   29  C   UNL     1       0.539   1.240  -3.578  1.00  0.00           C  
HETATM   30  C   UNL     1       0.336   2.074  -2.494  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.610   1.332   0.463  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.619   2.074   1.646  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.814   2.370   2.270  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.008   1.935   1.730  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.014   1.192   0.548  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.812   0.894  -0.090  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.816   3.171   3.546  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.293   0.726  -0.029  1.00  0.00           C  
HETATM   39  O   UNL     1      -6.440   0.692  -1.235  1.00  0.00           O  
HETATM   40  N   UNL     1      -7.297   0.339   0.784  1.00  0.00           N  
HETATM   41  C   UNL     1      -7.167   0.495   2.234  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.518  -0.238   0.215  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.364  -1.734   0.110  1.00  0.00           C  
HETATM   44  N   UNL     1      -8.695  -2.634   1.052  1.00  0.00           N  
HETATM   45  C   UNL     1      -8.420  -3.826   0.605  1.00  0.00           C  
HETATM   46  O   UNL     1      -7.909  -3.717  -0.628  1.00  0.00           O  
HETATM   47  C   UNL     1      -7.878  -2.408  -0.946  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.380  -1.812  -2.237  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.635  -5.116   1.355  1.00  0.00           C  
HETATM   50  H   UNL     1       8.389  -5.044  -1.912  1.00  0.00           H  
HETATM   51  H   UNL     1       8.380  -3.675  -3.050  1.00  0.00           H  
HETATM   52  H   UNL     1       9.877  -4.599  -2.782  1.00  0.00           H  
HETATM   53  H   UNL     1       9.609  -1.663   0.754  1.00  0.00           H  
HETATM   54  H   UNL     1       7.761  -0.630   2.011  1.00  0.00           H  
HETATM   55  H   UNL     1       4.937  -2.684  -0.439  1.00  0.00           H  
HETATM   56  H   UNL     1       6.779  -3.716  -1.704  1.00  0.00           H  
HETATM   57  H   UNL     1       4.673   2.570   1.768  1.00  0.00           H  
HETATM   58  H   UNL     1       6.050   1.540   2.225  1.00  0.00           H  
HETATM   59  H   UNL     1       5.451   2.490  -0.612  1.00  0.00           H  
HETATM   60  H   UNL     1       7.549   3.411   1.404  1.00  0.00           H  
HETATM   61  H   UNL     1       7.419   3.962  -0.284  1.00  0.00           H  
HETATM   62  H   UNL     1       6.130   4.350   0.881  1.00  0.00           H  
HETATM   63  H   UNL     1       7.781   1.645  -1.018  1.00  0.00           H  
HETATM   64  H   UNL     1       7.799   0.997   0.640  1.00  0.00           H  
HETATM   65  H   UNL     1       6.647   0.354  -0.554  1.00  0.00           H  
HETATM   66  H   UNL     1       3.826   1.428  -0.723  1.00  0.00           H  
HETATM   67  H   UNL     1       3.389  -0.273  -0.433  1.00  0.00           H  
HETATM   68  H   UNL     1       1.988   0.470   1.516  1.00  0.00           H  
HETATM   69  H   UNL     1       2.607   3.132   0.538  1.00  0.00           H  
HETATM   70  H   UNL     1       1.040   0.143  -0.787  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.172   1.960   1.150  1.00  0.00           H  
HETATM   72  H   UNL     1       1.357   3.171  -0.975  1.00  0.00           H  
HETATM   73  H   UNL     1       2.368   1.994  -1.847  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.980   3.474  -1.559  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.688   3.314  -3.325  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.328   1.828  -5.255  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.261   0.499  -5.417  1.00  0.00           H  
HETATM   78  H   UNL     1       1.446   0.657  -3.649  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.688   2.417   2.073  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.940   2.169   2.224  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.811   0.320  -1.005  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.886   4.233   3.309  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.669   2.879   4.158  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.893   2.982   4.095  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.527   1.482   2.527  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.757  -0.271   2.737  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.120   0.392   2.519  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.365  -0.005   0.861  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.690   0.180  -0.776  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.040  -2.609  -2.898  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.189  -1.261  -2.718  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.553  -1.133  -2.029  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.310  -5.953   0.738  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.057  -5.099   2.279  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.693  -5.227   1.591  1.00  0.00           H  
CONECT    1    8    2    4    4                                       
CONECT    2    1    3                                                 
CONECT    3    2   50   51   52                                       
CONECT    4    1    1    5   53                                       
CONECT    5    6    6    4   54                                       
CONECT    6    7    5    5    9                                       
CONECT    7    8    8    6   55                                       
CONECT    8    7    7    1   56                                       
CONECT    9   10   10    6   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   17   13                                            
CONECT   13   12   14   57   58                                       
CONECT   14   13   15   16   59                                       
CONECT   15   14   60   61   62                                       
CONECT   16   14   63   64   65                                       
CONECT   17   12   18   66   67                                       
CONECT   18   20   17   19   68                                       
CONECT   19   18   69                                                 
CONECT   20   24   21   18   70                                       
CONECT   21   20   22   71                                            
CONECT   22   21   23   23   31                                       
CONECT   23   22   22                                                 
CONECT   24   30   20   72   73                                       
CONECT   25   26   26   30   74                                       
CONECT   26   27   25   25   75                                       
CONECT   27   28   28   26   76                                       
CONECT   28   27   27   29   77                                       
CONECT   29   28   30   30   78                                       
CONECT   30   29   29   25   24                                       
CONECT   31   36   22   32   32                                       
CONECT   32   31   31   33   79                                       
CONECT   33   34   34   32   37                                       
CONECT   34   35   33   33   80                                       
CONECT   35   38   36   36   34                                       
CONECT   36   35   35   31   81                                       
CONECT   37   33   82   83   84                                       
CONECT   38   40   39   39   35                                       
CONECT   39   38   38                                                 
CONECT   40   42   41   38                                            
CONECT   41   40   85   86   87                                       
CONECT   42   43   40   88   89                                       
CONECT   43   44   47   47   42                                       
CONECT   44   45   45   43                                            
CONECT   45   49   46   44   44                                       
CONECT   46   45   47                                                 
CONECT   47   46   48   43   43                                       
CONECT   48   47   90   91   92                                       
CONECT   49   45   93   94   95                                       
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   48                                                      
CONECT   91   48                                                      
CONECT   92   48                                                      
CONECT   93   49                                                      
CONECT   94   49                                                      
CONECT   95   49                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
