COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   1      -1.536   1.348  -0.662  1.00  0.00           N  
HETATM    2  C   UNK A   1      -3.947   1.414  -0.259  1.00  0.00           C  
HETATM    3  C   UNK A   1      -5.402  -0.706   0.894  1.00  0.00           C  
HETATM    4  C   UNK A   1      -5.609  -2.214   1.048  1.00  0.00           C  
HETATM    5  C   UNK A   1      -6.702  -2.476   2.086  1.00  0.00           C  
HETATM    6  C   UNK A   1      -6.909  -3.984   2.240  1.00  0.00           C  
HETATM    7  C   UNK A   1      -6.235  -4.320  -0.142  1.00  0.00           C  
HETATM    8  C   UNK A   0       1.156   1.615   1.155  1.00  0.00           C  
HETATM    9  C   UNK A   0       2.519   2.759   2.757  1.00  0.00           C  
HETATM   10  C   UNK A   0       2.131   5.167   3.319  1.00  0.00           C  
HETATM   11  C   UNK A   0       2.941  -0.156  -1.391  1.00  0.00           C  
HETATM   12  C   UNK A   0       3.317  -0.040  -0.050  1.00  0.00           C  
HETATM   13  C   UNK A   0       4.469  -0.647   0.396  1.00  0.00           C  
HETATM   14  C   UNK A   0       6.502  -2.030  -0.007  1.00  0.00           C  
HETATM   15  C   UNK A   0       8.450  -3.367  -0.434  1.00  0.00           C  
HETATM   16  C   UNK A   0       8.029  -2.535   1.776  1.00  0.00           C  
HETATM   17  O   UNK A   0      -0.616   1.430  -2.682  1.00  0.00           O  
HETATM   18  C   UNK A   0      -0.498   1.164  -1.502  1.00  0.00           C  
HETATM   19  C   UNK A   1      -2.806   1.869  -1.171  1.00  0.00           C  
HETATM   20  S   UNK A   1      -4.007  -0.399  -0.224  1.00  0.00           S  
HETATM   21  O   UNK A   1      -4.355  -0.865  -1.521  1.00  0.00           O  
HETATM   22  O   UNK A   1      -2.819  -0.880   0.390  1.00  0.00           O  
HETATM   23  C   UNK A   1      -6.028  -2.812  -0.296  1.00  0.00           C  
HETATM   24  C   UNK A   1      -7.329  -4.581   0.896  1.00  0.00           C  
HETATM   25  C   UNK A   1      -2.756   3.375  -1.200  1.00  0.00           C  
HETATM   26  O   UNK A   1      -1.761   3.954  -0.832  1.00  0.00           O  
HETATM   27  O   UNK A   1      -3.817   4.074  -1.633  1.00  0.00           O  
HETATM   28  N   UNK A   0       0.672   0.684  -1.033  1.00  0.00           N  
HETATM   29  C   UNK A   0       0.814   0.363   0.389  1.00  0.00           C  
HETATM   30  C   UNK A   0       0.421   2.769   0.956  1.00  0.00           C  
HETATM   31  C   UNK A   0       0.735   3.918   1.658  1.00  0.00           C  
HETATM   32  C   UNK A   0       1.784   3.913   2.559  1.00  0.00           C  
HETATM   33  C   UNK A   0       2.201   1.609   2.060  1.00  0.00           C  
HETATM   34  C   UNK A   0       1.709   0.500  -1.873  1.00  0.00           C  
HETATM   35  O   UNK A   0       1.631   0.873  -3.027  1.00  0.00           O  
HETATM   36  C   UNK A   0       3.736  -0.889  -2.277  1.00  0.00           C  
HETATM   37  C   UNK A   0       4.885  -1.499  -1.827  1.00  0.00           C  
HETATM   38  C   UNK A   0       5.261  -1.377  -0.489  1.00  0.00           C  
HETATM   39  C   UNK A   0       6.876  -1.921   1.332  1.00  0.00           C  
HETATM   40  C   UNK A   0       8.819  -3.249   0.894  1.00  0.00           C  
HETATM   41  C   UNK A   0       7.297  -2.761  -0.889  1.00  0.00           C  
HETATM   42  H   UNK A   1      -1.442   1.132   0.279  1.00  0.00           H  
HETATM   43  H   UNK A   1      -3.778   1.791   0.750  1.00  0.00           H  
HETATM   44  H   UNK A   1      -4.892   1.802  -0.637  1.00  0.00           H  
HETATM   45  H   UNK A   1      -6.305  -0.256   0.481  1.00  0.00           H  
HETATM   46  H   UNK A   1      -5.190  -0.267   1.868  1.00  0.00           H  
HETATM   47  H   UNK A   1      -4.678  -2.677   1.377  1.00  0.00           H  
HETATM   48  H   UNK A   1      -6.403  -2.050   3.044  1.00  0.00           H  
HETATM   49  H   UNK A   1      -7.633  -2.013   1.757  1.00  0.00           H  
HETATM   50  H   UNK A   1      -5.978  -4.446   2.569  1.00  0.00           H  
HETATM   51  H   UNK A   1      -7.688  -4.170   2.980  1.00  0.00           H  
HETATM   52  H   UNK A   1      -6.534  -4.746  -1.100  1.00  0.00           H  
HETATM   53  H   UNK A   1      -5.305  -4.783   0.187  1.00  0.00           H  
HETATM   54  H   UNK A   0       3.341   2.756   3.458  1.00  0.00           H  
HETATM   55  H   UNK A   0       2.856   5.748   2.750  1.00  0.00           H  
HETATM   56  H   UNK A   0       1.229   5.760   3.472  1.00  0.00           H  
HETATM   57  H   UNK A   0       2.557   4.899   4.286  1.00  0.00           H  
HETATM   58  H   UNK A   0       2.704   0.527   0.635  1.00  0.00           H  
HETATM   59  H   UNK A   0       4.759  -0.557   1.433  1.00  0.00           H  
HETATM   60  H   UNK A   0       9.066  -3.934  -1.117  1.00  0.00           H  
HETATM   61  H   UNK A   0       8.322  -2.446   2.812  1.00  0.00           H  
HETATM   62  H   UNK A   1      -2.976   1.492  -2.180  1.00  0.00           H  
HETATM   63  H   UNK A   1      -6.959  -2.349  -0.625  1.00  0.00           H  
HETATM   64  H   UNK A   1      -5.249  -2.626  -1.036  1.00  0.00           H  
HETATM   65  H   UNK A   1      -7.476  -5.656   1.006  1.00  0.00           H  
HETATM   66  H   UNK A   1      -8.259  -4.119   0.567  1.00  0.00           H  
HETATM   67  H   UNK A   1      -3.738   5.038  -1.633  1.00  0.00           H  
HETATM   68  H   UNK A   0       1.610  -0.370   0.518  1.00  0.00           H  
HETATM   69  H   UNK A   0      -0.123  -0.048   0.765  1.00  0.00           H  
HETATM   70  H   UNK A   0      -0.398   2.773   0.253  1.00  0.00           H  
HETATM   71  H   UNK A   0       0.161   4.820   1.503  1.00  0.00           H  
HETATM   72  H   UNK A   0       2.775   0.707   2.215  1.00  0.00           H  
HETATM   73  H   UNK A   0       3.449  -0.976  -3.315  1.00  0.00           H  
HETATM   74  H   UNK A   0       5.499  -2.065  -2.511  1.00  0.00           H  
HETATM   75  H   UNK A   0       6.264  -1.355   2.020  1.00  0.00           H  
HETATM   76  H   UNK A   0       9.721  -3.729   1.246  1.00  0.00           H  
HETATM   77  H   UNK A   0       7.009  -2.854  -1.926  1.00  0.00           H  
CONECT    1   18   19   42                                            
CONECT    2   19   20   43   44                                       
CONECT    3    4   20   45   46                                       
CONECT    4   23    5    3   47                                       
CONECT    5    6    4   48   49                                       
CONECT    6   24    5   50   51                                       
CONECT    7   24   23   52   53                                       
CONECT    8   33   33   30   29                                       
CONECT    9   32   32   33   54                                       
CONECT   10   32   55   56   57                                       
CONECT   11   12   12   36   34                                       
CONECT   12   13   11   11   58                                       
CONECT   13   38   38   12   59                                       
CONECT   14   39   39   41   38                                       
CONECT   15   40   41   41   60                                       
CONECT   16   40   40   39   61                                       
CONECT   17   18   18                                                 
CONECT   18   28   17   17    1                                       
CONECT   19    1   25    2   62                                       
CONECT   20    3   22   22    2                                       
CONECT   20   21   21                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23    7    4   63   64                                       
CONECT   24    7    6   65   66                                       
CONECT   25   19   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   67                                                 
CONECT   28   29   34   18                                            
CONECT   29    8   28   68   69                                       
CONECT   30   31   31    8   70                                       
CONECT   31   32   30   30   71                                       
CONECT   32    9    9   10   31                                       
CONECT   33    9    8    8   72                                       
CONECT   34   11   28   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   37   37   11   73                                       
CONECT   37   38   36   36   74                                       
CONECT   38   14   13   13   37                                       
CONECT   39   16   14   14   75                                       
CONECT   40   16   16   15   76                                       
CONECT   41   15   15   14   77                                       
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   19                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
