COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.138   0.508   2.699  1.00  0.00           C  
HETATM    2  C   UNL     1       2.643   0.752   2.918  1.00  0.00           C  
HETATM    3  C   UNL     1       2.401   1.161   4.373  1.00  0.00           C  
HETATM    4  C   UNL     1       4.379   0.158   1.227  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.356  -1.649  -0.535  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.934  -1.974   0.705  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.004  -1.229   1.228  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.540  -1.573   2.432  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.042  -2.655   3.155  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.007  -3.400   2.679  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.428  -3.075   1.440  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.358  -3.820   0.916  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.824  -3.477  -0.287  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.321  -2.394  -1.010  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.708  -2.047  -2.342  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.640  -1.117  -2.147  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.987  -0.720  -3.355  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.885   0.256  -3.032  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.535   0.705  -1.804  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.057   0.844  -3.903  1.00  0.00           N  
HETATM   21  N   UNL     1      -2.251   1.611  -3.257  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.502   1.558  -1.996  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.789   2.292  -0.947  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.290   1.995  -1.045  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.064   0.603  -0.820  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.008   3.694  -1.115  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.375   4.506  -0.124  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.699   5.978  -0.386  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.101   6.195  -0.213  1.00  0.00           O  
HETATM   30  C   UNL     1       0.141   4.298  -0.188  1.00  0.00           C  
HETATM   31  O   UNL     1       0.772   5.065   0.840  1.00  0.00           O  
HETATM   32  C   UNL     1       0.454   2.813   0.016  1.00  0.00           C  
HETATM   33  O   UNL     1       1.860   2.598  -0.116  1.00  0.00           O  
HETATM   34  C   UNL     1       2.357   1.505   0.659  1.00  0.00           C  
HETATM   35  C   UNL     1       3.840   1.291   0.349  1.00  0.00           C  
HETATM   36  O   UNL     1       3.995   0.942  -1.028  1.00  0.00           O  
HETATM   37  O   UNL     1       2.200   1.797   2.049  1.00  0.00           O  
HETATM   38  O   UNL     1       0.996   1.276   4.608  1.00  0.00           O  
HETATM   39  O   UNL     1       4.572  -0.574   3.526  1.00  0.00           O  
HETATM   40  O   UNL     1       5.781   0.000   0.997  1.00  0.00           O  
HETATM   41  C   UNL     1       6.098  -0.922  -0.048  1.00  0.00           C  
HETATM   42  O   UNL     1       5.681  -2.235   0.332  1.00  0.00           O  
HETATM   43  C   UNL     1       5.929  -3.235  -0.659  1.00  0.00           C  
HETATM   44  C   UNL     1       5.418  -4.587  -0.157  1.00  0.00           C  
HETATM   45  O   UNL     1       3.997  -4.538  -0.018  1.00  0.00           O  
HETATM   46  C   UNL     1       7.434  -3.325  -0.925  1.00  0.00           C  
HETATM   47  O   UNL     1       7.680  -4.283  -1.956  1.00  0.00           O  
HETATM   48  C   UNL     1       7.948  -1.952  -1.370  1.00  0.00           C  
HETATM   49  O   UNL     1       9.365  -2.008  -1.550  1.00  0.00           O  
HETATM   50  C   UNL     1       7.610  -0.919  -0.291  1.00  0.00           C  
HETATM   51  O   UNL     1       8.020   0.379  -0.726  1.00  0.00           O  
HETATM   52  H   UNL     1       4.696   1.409   2.955  1.00  0.00           H  
HETATM   53  H   UNL     1       2.089  -0.161   2.701  1.00  0.00           H  
HETATM   54  H   UNL     1       2.820   0.406   5.037  1.00  0.00           H  
HETATM   55  H   UNL     1       2.882   2.121   4.565  1.00  0.00           H  
HETATM   56  H   UNL     1       3.862  -0.770   0.983  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.734  -0.816  -1.108  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.400  -0.387   0.679  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.362  -0.999   2.832  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.485  -2.907   4.107  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.631  -4.235   3.251  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.962  -4.661   1.466  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.002  -4.051  -0.687  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.320  -2.951  -2.811  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.465  -1.600  -2.986  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.564  -1.597  -3.844  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.709  -0.246  -4.019  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.988   0.437  -0.862  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.159   1.981   0.030  1.00  0.00           H  
HETATM   70  H   UNL     1       0.071   2.269  -2.036  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.510   0.024  -1.453  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.739   4.224   0.864  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.146   6.603   0.315  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.415   6.237  -1.406  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.380   7.108  -0.363  1.00  0.00           H  
HETATM   76  H   UNL     1       0.512   4.620  -1.161  1.00  0.00           H  
HETATM   77  H   UNL     1       0.612   6.016   0.776  1.00  0.00           H  
HETATM   78  H   UNL     1       0.128   2.504   1.009  1.00  0.00           H  
HETATM   79  H   UNL     1       1.799   0.602   0.412  1.00  0.00           H  
HETATM   80  H   UNL     1       4.392   2.207   0.558  1.00  0.00           H  
HETATM   81  H   UNL     1       3.673   1.617  -1.643  1.00  0.00           H  
HETATM   82  H   UNL     1       0.769   1.533   5.512  1.00  0.00           H  
HETATM   83  H   UNL     1       4.444  -0.421   4.472  1.00  0.00           H  
HETATM   84  H   UNL     1       5.583  -0.627  -0.962  1.00  0.00           H  
HETATM   85  H   UNL     1       5.411  -2.970  -1.580  1.00  0.00           H  
HETATM   86  H   UNL     1       5.687  -5.365  -0.872  1.00  0.00           H  
HETATM   87  H   UNL     1       5.871  -4.811   0.809  1.00  0.00           H  
HETATM   88  H   UNL     1       3.604  -5.363   0.298  1.00  0.00           H  
HETATM   89  H   UNL     1       7.948  -3.629  -0.014  1.00  0.00           H  
HETATM   90  H   UNL     1       8.615  -4.392  -2.178  1.00  0.00           H  
HETATM   91  H   UNL     1       7.471  -1.670  -2.309  1.00  0.00           H  
HETATM   92  H   UNL     1       9.758  -1.171  -1.832  1.00  0.00           H  
HETATM   93  H   UNL     1       8.127  -1.174   0.634  1.00  0.00           H  
HETATM   94  H   UNL     1       7.832   1.085  -0.093  1.00  0.00           H  
CONECT    1    4   39    2   52                                       
CONECT    2    1   37    3   53                                       
CONECT    3    2   38   54   55                                       
CONECT    4   40   35    1   56                                       
CONECT    5    6   14   14   57                                       
CONECT    6    7    7   11    5                                       
CONECT    7    8    6    6   58                                       
CONECT    8    9    9    7   59                                       
CONECT    9    8    8   10   60                                       
CONECT   10    9   11   11   61                                       
CONECT   11   10   10    6   12                                       
CONECT   12   11   13   13   62                                       
CONECT   13   12   12   14   63                                       
CONECT   14    5    5   13   15                                       
CONECT   15   14   16   64   65                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   66   67                                       
CONECT   18   17   20   19   19                                       
CONECT   19   18   18   22   68                                       
CONECT   20   18   21   21                                            
CONECT   21   20   20   22                                            
CONECT   22   19   21   23                                            
CONECT   23   22   24   26   69                                       
CONECT   24   25   23   32   70                                       
CONECT   25   24   71                                                 
CONECT   26   23   27                                                 
CONECT   27   26   30   28   72                                       
CONECT   28   27   29   73   74                                       
CONECT   29   28   75                                                 
CONECT   30   32   27   31   76                                       
CONECT   31   30   77                                                 
CONECT   32   24   33   30   78                                       
CONECT   33   34   32                                                 
CONECT   34   35   33   37   79                                       
CONECT   35   36    4   34   80                                       
CONECT   36   35   81                                                 
CONECT   37   34    2                                                 
CONECT   38    3   82                                                 
CONECT   39    1   83                                                 
CONECT   40   41    4                                                 
CONECT   41   42   50   40   84                                       
CONECT   42   43   41                                                 
CONECT   43   44   46   42   85                                       
CONECT   44   45   43   86   87                                       
CONECT   45   44   88                                                 
CONECT   46   47   43   48   89                                       
CONECT   47   46   90                                                 
CONECT   48   46   49   50   91                                       
CONECT   49   48   92                                                 
CONECT   50   48   41   51   93                                       
CONECT   51   50   94                                                 
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   19                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   41                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
CONECT   91   48                                                      
CONECT   92   49                                                      
CONECT   93   50                                                      
CONECT   94   51                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
