COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.248  -0.380  -0.098  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.283  -2.580  -0.972  1.00  0.00           N  
HETATM    3  O   UNL     1      -0.315   0.040  -1.087  1.00  0.00           O  
HETATM    4  S   UNL     1      -1.638  -3.490  -0.690  1.00  0.00           S  
HETATM    5  C   UNL     1      -3.727  -1.827  -1.123  1.00  0.00           C  
HETATM    6  N   UNL     1       0.769   0.483   0.797  1.00  0.00           N  
HETATM    7  O   UNL     1      -1.303   1.736   1.872  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.913  -2.385  -0.185  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.153   3.606   0.688  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.075  -2.095   1.169  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.050  -1.247   1.592  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.928   0.231   1.052  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.742   0.789   0.114  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.580   0.500  -1.239  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.601  -0.345  -1.663  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.746  -0.945  -0.724  1.00  0.00           C  
HETATM   17  C   UNL     1       0.362  -1.865   0.131  1.00  0.00           C  
HETATM   18  C   UNL     1       1.838  -2.259   0.201  1.00  0.00           C  
HETATM   19  C   UNL     1       3.405  -4.112   0.711  1.00  0.00           C  
HETATM   20  C   UNL     1       6.847   1.132  -0.984  1.00  0.00           C  
HETATM   21  C   UNL     1       1.954  -3.749   0.528  1.00  0.00           C  
HETATM   22  C   UNL     1       5.546   1.521  -0.393  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.910  -0.651   0.653  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.037  -4.017  -1.948  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.669   2.415   1.092  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.386   4.150   1.272  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.345  -4.306   0.436  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.357   4.499   0.140  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.664   5.437  -0.851  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.447   4.733  -1.457  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.455   4.387  -0.342  1.00  0.00           C  
HETATM   32  C   UNL     1       0.659   1.926   0.574  1.00  0.00           C  
HETATM   33  C   UNL     1       1.790   2.644   1.313  1.00  0.00           C  
HETATM   34  C   UNL     1       3.642   2.982  -0.336  1.00  0.00           C  
HETATM   35  C   UNL     1       3.793   1.149   1.205  1.00  0.00           C  
HETATM   36  C   UNL     1       4.854   2.625  -0.890  1.00  0.00           C  
HETATM   37  O   UNL     1       4.259  -3.266   0.593  1.00  0.00           O  
HETATM   38  C   UNL     1       5.006   0.781   0.658  1.00  0.00           C  
HETATM   39  C   UNL     1       3.114   2.248   0.711  1.00  0.00           C  
HETATM   40  N   UNL     1       7.347   1.821  -1.969  1.00  0.00           N  
HETATM   41  N   UNL     1       7.529   0.041  -0.491  1.00  0.00           N  
HETATM   42  H   UNL     1       0.083  -2.521  -1.869  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.587  -2.057  -2.169  1.00  0.00           H  
HETATM   44  H   UNL     1       1.216   0.147   1.590  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.416  -2.552   1.892  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.164  -1.032   2.645  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.065   0.465   2.098  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.524   1.466   0.424  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.239   0.956  -1.963  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.488  -0.561  -2.716  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.129  -2.126   1.069  1.00  0.00           H  
HETATM   52  H   UNL     1       2.313  -2.060  -0.760  1.00  0.00           H  
HETATM   53  H   UNL     1       2.333  -1.677   0.978  1.00  0.00           H  
HETATM   54  O   UNL     1       3.748  -5.376   1.006  1.00  0.00           O  
HETATM   55  H   UNL     1       1.406  -3.963   1.446  1.00  0.00           H  
HETATM   56  H   UNL     1       1.533  -4.334  -0.290  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.840   3.406   1.926  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.154   5.049   1.844  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.659   3.587  -0.374  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.237   4.992   0.553  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.360   5.707  -1.645  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.340   6.339  -0.331  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.767   3.819  -1.956  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.968   5.393  -2.180  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.069   5.307   0.097  1.00  0.00           H  
HETATM   66  H   UNL     1       0.369   3.801  -0.750  1.00  0.00           H  
HETATM   67  H   UNL     1       0.732   2.135  -0.493  1.00  0.00           H  
HETATM   68  H   UNL     1       1.657   3.722   1.221  1.00  0.00           H  
HETATM   69  H   UNL     1       1.771   2.364   2.366  1.00  0.00           H  
HETATM   70  H   UNL     1       3.105   3.837  -0.719  1.00  0.00           H  
HETATM   71  H   UNL     1       3.374   0.577   2.019  1.00  0.00           H  
HETATM   72  H   UNL     1       5.266   3.199  -1.707  1.00  0.00           H  
HETATM   73  H   UNL     1       5.535  -0.078   1.044  1.00  0.00           H  
HETATM   74  H   UNL     1       6.867   2.590  -2.316  1.00  0.00           H  
HETATM   75  H   UNL     1       8.382  -0.214  -0.878  1.00  0.00           H  
HETATM   76  H   UNL     1       7.157  -0.472   0.243  1.00  0.00           H  
HETATM   77  H   UNL     1       4.691  -5.561   1.115  1.00  0.00           H  
CONECT    1   17    3    3    6                                       
CONECT    2    4   42   17                                            
CONECT    3    1    1                                                 
CONECT    4    2    8   27   27                                       
CONECT    4   24   24                                                 
CONECT    5   16   43    8    8                                       
CONECT    6    1   44   32                                            
CONECT    7   25   25                                                 
CONECT    8    4    5    5   10                                       
CONECT    9   31   25   26                                            
CONECT   10    8   11   11   45                                       
CONECT   11   10   10   23   46                                       
CONECT   12   13   47   23   23                                       
CONECT   13   12   14   14   48                                       
CONECT   14   13   13   49   15                                       
CONECT   15   14   50   16   16                                       
CONECT   16    5   15   15   23                                       
CONECT   17    1    2   51   18                                       
CONECT   18   17   52   53   21                                       
CONECT   19   21   37   37   54                                       
CONECT   20   40   40   41   22                                       
CONECT   21   19   18   55   56                                       
CONECT   22   20   36   36   38                                       
CONECT   23   11   12   12   16                                       
CONECT   24    4    4                                                 
CONECT   25    7    7    9   32                                       
CONECT   26    9   28   57   58                                       
CONECT   27    4    4                                                 
CONECT   28   26   29   59   60                                       
CONECT   29   28   30   61   62                                       
CONECT   30   29   63   64   31                                       
CONECT   31    9   30   65   66                                       
CONECT   32   25    6   67   33                                       
CONECT   33   32   39   68   69                                       
CONECT   34   36   70   39   39                                       
CONECT   35   38   38   71   39                                       
CONECT   36   34   22   22   72                                       
CONECT   37   19   19                                                 
CONECT   38   35   35   22   73                                       
CONECT   39   33   34   34   35                                       
CONECT   40   20   20   74                                            
CONECT   41   20   75   76                                            
CONECT   42    2                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19   77                                                 
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   38                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   41                                                      
CONECT   77   54                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
