COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.961   3.380   0.518  1.00  0.00           C  
HETATM    2  C   UNL     1       4.850   2.446   0.005  1.00  0.00           C  
HETATM    3  C   UNL     1       4.743   1.119   0.371  1.00  0.00           C  
HETATM    4  C   UNL     1       3.752   0.720   1.249  1.00  0.00           C  
HETATM    5  C   UNL     1       2.865   1.648   1.762  1.00  0.00           C  
HETATM    6  C   UNL     1       2.967   2.977   1.398  1.00  0.00           C  
HETATM    7  S   UNL     1       3.618  -0.974   1.713  1.00  0.00           S  
HETATM    8  O   UNL     1       4.801  -1.614   1.255  1.00  0.00           O  
HETATM    9  O   UNL     1       3.198  -0.990   3.070  1.00  0.00           O  
HETATM   10  N   UNL     1       2.350  -1.607   0.814  1.00  0.00           N  
HETATM   11  C   UNL     1       1.364  -0.767   0.129  1.00  0.00           C  
HETATM   12  C   UNL     1       0.000  -0.929   0.803  1.00  0.00           C  
HETATM   13  O   UNL     1       0.064  -0.421   2.137  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.055  -0.154   0.011  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.379  -0.405   0.586  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.481  -0.274  -0.178  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.377   0.053  -1.344  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.698  -0.505   0.350  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.840  -0.345  -0.532  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.186  -1.682  -1.210  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.486  -2.074  -0.748  1.00  0.00           O  
HETATM   22  C   UNL     1      -8.198  -0.883  -0.362  1.00  0.00           C  
HETATM   23  O   UNL     1      -9.103  -1.210   0.702  1.00  0.00           O  
HETATM   24  C   UNL     1      -8.448  -1.088   1.969  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.002  -0.622   1.705  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.100   0.020   0.281  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.745   1.343   0.079  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.906   2.555  -0.278  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.789   3.251  -1.082  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.477   3.487  -2.408  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.282   3.028  -2.930  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.398   2.332  -2.125  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.711   2.096  -0.799  1.00  0.00           C  
HETATM   34  O   UNL     1       4.067   4.688   0.163  1.00  0.00           O  
HETATM   35  C   UNL     1       3.118   5.593   0.730  1.00  0.00           C  
HETATM   36  C   UNL     1       2.313  -3.098   0.772  1.00  0.00           C  
HETATM   37  C   UNL     1       2.400  -3.533  -0.692  1.00  0.00           C  
HETATM   38  C   UNL     1       3.551  -4.527  -0.861  1.00  0.00           C  
HETATM   39  C   UNL     1       4.354  -4.170  -2.113  1.00  0.00           C  
HETATM   40  C   UNL     1       5.708   0.104  -0.187  1.00  0.00           C  
HETATM   41  O   UNL     1       5.686   0.162  -1.615  1.00  0.00           O  
HETATM   42  C   UNL     1       6.382  -0.911  -2.251  1.00  0.00           C  
HETATM   43  C   UNL     1       5.411  -2.018  -2.575  1.00  0.00           C  
HETATM   44  C   UNL     1       5.325  -3.063  -1.790  1.00  0.00           C  
HETATM   45  H   UNL     1       5.625   2.757  -0.680  1.00  0.00           H  
HETATM   46  H   UNL     1       2.092   1.335   2.448  1.00  0.00           H  
HETATM   47  H   UNL     1       2.274   3.702   1.799  1.00  0.00           H  
HETATM   48  H   UNL     1       1.675   0.276   0.184  1.00  0.00           H  
HETATM   49  H   UNL     1       1.292  -1.071  -0.915  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.269  -1.985   0.829  1.00  0.00           H  
HETATM   51  H   UNL     1       0.299   0.516   2.190  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.042  -0.481  -1.028  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.462  -0.666   1.516  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.636   0.420  -1.282  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.201  -1.556  -2.293  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.450  -2.438  -0.936  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.698  -0.403  -1.203  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.967  -0.353   2.584  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.440  -2.054   2.475  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.694   0.120   2.442  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.317  -1.470   1.699  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.339   1.084   0.292  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.845   1.688   1.108  1.00  0.00           H  
HETATM   64  H   UNL     1       0.273   1.519  -0.266  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.148   2.374   0.759  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.723   3.609  -0.675  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.167   4.030  -3.037  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.038   3.212  -3.966  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.465   1.974  -2.532  1.00  0.00           H  
HETATM   70  H   UNL     1       3.314   6.601   0.365  1.00  0.00           H  
HETATM   71  H   UNL     1       2.111   5.291   0.440  1.00  0.00           H  
HETATM   72  H   UNL     1       3.204   5.576   1.816  1.00  0.00           H  
HETATM   73  H   UNL     1       3.159  -3.503   1.328  1.00  0.00           H  
HETATM   74  H   UNL     1       1.380  -3.456   1.208  1.00  0.00           H  
HETATM   75  H   UNL     1       1.464  -4.008  -0.986  1.00  0.00           H  
HETATM   76  H   UNL     1       2.578  -2.661  -1.320  1.00  0.00           H  
HETATM   77  H   UNL     1       4.202  -4.481   0.013  1.00  0.00           H  
HETATM   78  H   UNL     1       3.149  -5.535  -0.962  1.00  0.00           H  
HETATM   79  H   UNL     1       4.903  -5.047  -2.455  1.00  0.00           H  
HETATM   80  H   UNL     1       3.674  -3.838  -2.898  1.00  0.00           H  
HETATM   81  H   UNL     1       6.714   0.324   0.170  1.00  0.00           H  
HETATM   82  H   UNL     1       5.416  -0.893   0.141  1.00  0.00           H  
HETATM   83  H   UNL     1       6.842  -0.551  -3.171  1.00  0.00           H  
HETATM   84  H   UNL     1       7.155  -1.290  -1.583  1.00  0.00           H  
HETATM   85  H   UNL     1       4.787  -1.950  -3.454  1.00  0.00           H  
HETATM   86  H   UNL     1       5.949  -3.133  -0.911  1.00  0.00           H  
CONECT    1   34    6    6    2                                       
CONECT    2    1    3    3   45                                       
CONECT    3    2    2    4   40                                       
CONECT    4    5    5    3    7                                       
CONECT    5    6    4    4   46                                       
CONECT    6    1    1    5   47                                       
CONECT    7    8    8    4    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11   36                                            
CONECT   11   10   12   48   49                                       
CONECT   12   14   11   13   50                                       
CONECT   13   12   51                                                 
CONECT   14   27   15   12   52                                       
CONECT   15   14   16   53                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19                                                 
CONECT   19   26   18   20   54                                       
CONECT   20   19   21   55   56                                       
CONECT   21   22   20                                                 
CONECT   22   26   23   21   57                                       
CONECT   23   24   22                                                 
CONECT   24   25   23   58   59                                       
CONECT   25   24   26   60   61                                       
CONECT   26   25   22   19   62                                       
CONECT   27   33   14   63   64                                       
CONECT   28   29   29   33   65                                       
CONECT   29   30   28   28   66                                       
CONECT   30   31   31   29   67                                       
CONECT   31   30   30   32   68                                       
CONECT   32   31   33   33   69                                       
CONECT   33   32   32   28   27                                       
CONECT   34   35    1                                                 
CONECT   35   34   70   71   72                                       
CONECT   36   10   37   73   74                                       
CONECT   37   36   38   75   76                                       
CONECT   38   37   39   77   78                                       
CONECT   39   44   38   79   80                                       
CONECT   40    3   41   81   82                                       
CONECT   41   40   42                                                 
CONECT   42   41   43   83   84                                       
CONECT   43   42   44   44   85                                       
CONECT   44   43   43   39   86                                       
CONECT   45    2                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   42                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
