COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.478   3.906  -0.477  1.00  0.00           C  
HETATM    2  C   UNL     1       3.412  -2.991   1.170  1.00  0.00           C  
HETATM    3  C   UNL     1       2.475  -3.644   0.393  1.00  0.00           C  
HETATM    4  C   UNL     1       1.194  -3.131   0.268  1.00  0.00           C  
HETATM    5  C   UNL     1       0.854  -1.959   0.925  1.00  0.00           C  
HETATM    6  C   UNL     1       1.795  -1.309   1.711  1.00  0.00           C  
HETATM    7  O   UNL     1       0.178  -1.450  -2.062  1.00  0.00           O  
HETATM    8  C   UNL     1       3.071  -1.821   1.826  1.00  0.00           C  
HETATM    9  C   UNL     1       2.791   3.409   0.344  1.00  0.00           C  
HETATM   10  C   UNL     1       3.688   2.631   1.055  1.00  0.00           C  
HETATM   11  C   UNL     1       3.246   1.507   1.729  1.00  0.00           C  
HETATM   12  C   UNL     1       1.911   1.160   1.693  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.584  -4.081   1.377  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.469   1.308   1.934  1.00  0.00           C  
HETATM   15  C   UNL     1       1.010   1.935   0.978  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.735  -2.091   0.396  1.00  0.00           O  
HETATM   17  C   UNL     1       1.421  -0.050   2.446  1.00  0.00           C  
HETATM   18  C   UNL     1       0.190  -3.861  -0.583  1.00  0.00           C  
HETATM   19  C   UNL     1       1.838  -1.387  -3.791  1.00  0.00           C  
HETATM   20  C   UNL     1       0.453  -1.841  -3.409  1.00  0.00           C  
HETATM   21  C   UNL     1       0.375   2.070  -3.507  1.00  0.00           C  
HETATM   22  C   UNL     1       1.456   3.061   0.300  1.00  0.00           C  
HETATM   23  S   UNL     1       5.040  -3.647   1.325  1.00  0.00           S  
HETATM   24  C   UNL     1       1.762   1.759  -4.007  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.074   1.848   2.119  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.316  -1.707   1.862  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.050  -3.037  -0.783  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.000  -1.867  -1.527  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.157  -1.124  -1.723  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.349  -1.549  -1.172  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.396  -2.712  -0.427  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.248  -3.453  -0.233  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.684  -1.204   1.480  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.107   0.142  -2.537  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.052   1.337  -1.625  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.862   2.039  -1.477  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.814   3.144  -0.641  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.945   3.547   0.039  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.127   2.846  -0.105  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.178   1.740  -0.935  1.00  0.00           C  
HETATM   41  O   UNL     1      -0.305   1.593   0.942  1.00  0.00           O  
HETATM   42  O   UNL     1       2.559  -0.883  -2.962  1.00  0.00           O  
HETATM   43  O   UNL     1       2.272  -1.543  -5.051  1.00  0.00           O  
HETATM   44  O   UNL     1       0.251   1.643  -2.149  1.00  0.00           O  
HETATM   45  O   UNL     1      -2.859   1.006   0.831  1.00  0.00           O  
HETATM   46  O   UNL     1      -3.279   1.163   2.995  1.00  0.00           O  
HETATM   47  O   UNL     1       2.573   1.258  -3.265  1.00  0.00           O  
HETATM   48  O   UNL     1       5.634   3.863  -0.054  1.00  0.00           O  
HETATM   49  O   UNL     1       5.588   3.991   2.299  1.00  0.00           O  
HETATM   50  O   UNL     1       6.108   1.879   1.391  1.00  0.00           O  
HETATM   51  O   UNL     1       2.096   2.039  -5.277  1.00  0.00           O  
HETATM   52  O   UNL     1      -4.115   4.101   1.892  1.00  0.00           O  
HETATM   53  O   UNL     1      -5.308   4.347  -0.126  1.00  0.00           O  
HETATM   54  O   UNL     1      -5.403   2.215   0.875  1.00  0.00           O  
HETATM   55  O   UNL     1      -2.860  -0.694   0.399  1.00  0.00           O  
HETATM   56  O   UNL     1      -3.707  -1.321   2.342  1.00  0.00           O  
HETATM   57  O   UNL     1       5.878  -3.043   0.207  1.00  0.00           O  
HETATM   58  O   UNL     1       5.565  -3.134   2.542  1.00  0.00           O  
HETATM   59  O   UNL     1       4.941  -5.037   1.046  1.00  0.00           O  
HETATM   60  O   UNL     1      -5.597  -4.146  -0.751  1.00  0.00           O  
HETATM   61  O   UNL     1      -0.398  -1.447   0.798  1.00  0.00           O  
HETATM   62  S   UNL     1      -4.920  -3.249   0.275  1.00  0.00           S  
HETATM   63  S   UNL     1       5.393   3.072   1.102  1.00  0.00           S  
HETATM   64  S   UNL     1      -4.569   3.361   0.767  1.00  0.00           S  
HETATM   65  H   UNL     1       0.287   4.833   0.064  1.00  0.00           H  
HETATM   66  H   UNL     1       0.892   4.136  -1.458  1.00  0.00           H  
HETATM   67  H   UNL     1       2.741  -4.557  -0.118  1.00  0.00           H  
HETATM   68  H   UNL     1       3.805  -1.309   2.431  1.00  0.00           H  
HETATM   69  H   UNL     1       3.136   4.290  -0.176  1.00  0.00           H  
HETATM   70  H   UNL     1       3.947   0.901   2.283  1.00  0.00           H  
HETATM   71  H   UNL     1       0.337   0.002   2.545  1.00  0.00           H  
HETATM   72  H   UNL     1       1.872  -0.064   3.438  1.00  0.00           H  
HETATM   73  H   UNL     1       0.635  -4.080  -1.553  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.079  -4.797  -0.094  1.00  0.00           H  
HETATM   75  H   UNL     1       0.389  -2.925  -3.493  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.277  -1.381  -4.077  1.00  0.00           H  
HETATM   77  H   UNL     1       0.198   3.144  -3.568  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.359   1.546  -4.121  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.121   2.922   2.297  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.605   1.358   2.972  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.980  -1.197   2.765  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.363  -2.781   2.047  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.248  -0.970  -1.322  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.285  -4.360   0.351  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.222   0.130  -3.172  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.998   0.205  -3.162  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.906   4.411   0.686  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.101   1.191  -1.043  1.00  0.00           H  
HETATM   89  H   UNL     1       3.168  -1.237  -5.249  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.164   0.813   2.827  1.00  0.00           H  
HETATM   91  H   UNL     1       2.998   1.822  -5.551  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.565  -0.983   2.052  1.00  0.00           H  
HETATM   93  H   UNL     1       6.498   4.295   2.418  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.123   4.695   0.262  1.00  0.00           H  
HETATM   95  H   UNL     1       6.798  -3.339   0.201  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.451  -4.498  -0.463  1.00  0.00           H  
CONECT    1   22   37   65   66                                       
CONECT    2    8   23    3    3                                       
CONECT    3    2    2    4   67                                       
CONECT    4    5    5    3   18                                       
CONECT    5    6   61    4    4                                       
CONECT    6   17    8    8    5                                       
CONECT    7   28   20                                                 
CONECT    8    6    6    2   68                                       
CONECT    9   10   10   22   69                                       
CONECT   10   63    9    9   11                                       
CONECT   11   10   12   12   70                                       
CONECT   12   11   11   15   17                                       
CONECT   13   62   62                                                 
CONECT   14   25   45   45   46                                       
CONECT   15   22   22   12   41                                       
CONECT   16   62   62                                                 
CONECT   17   12    6   71   72                                       
CONECT   18    4   27   73   74                                       
CONECT   19   42   42   20   43                                       
CONECT   20    7   19   75   76                                       
CONECT   21   44   24   77   78                                       
CONECT   22    9    1   15   15                                       
CONECT   23   58   58   59   59                                       
CONECT   23    2   57                                                 
CONECT   24   21   47   47   51                                       
CONECT   25   41   14   79   80                                       
CONECT   26   61   33   81   82                                       
CONECT   27   32   32   28   18                                       
CONECT   28   29   29   27    7                                       
CONECT   29   30   34   28   28                                       
CONECT   30   31   31   29   83                                       
CONECT   31   62   30   30   32                                       
CONECT   32   31   27   27   84                                       
CONECT   33   26   55   55   56                                       
CONECT   34   35   29   85   86                                       
CONECT   35   40   40   36   34                                       
CONECT   36   37   37   35   44                                       
CONECT   37    1   38   36   36                                       
CONECT   38   39   39   37   87                                       
CONECT   39   64   38   38   40                                       
CONECT   40   39   35   35   88                                       
CONECT   41   15   25                                                 
CONECT   42   19   19                                                 
CONECT   43   19   89                                                 
CONECT   44   36   21                                                 
CONECT   45   14   14                                                 
CONECT   46   14   90                                                 
CONECT   47   24   24                                                 
CONECT   48   63   63                                                 
CONECT   49   63   93                                                 
CONECT   50   63   63                                                 
CONECT   51   24   91                                                 
CONECT   52   64   64                                                 
CONECT   53   64   94                                                 
CONECT   54   64   64                                                 
CONECT   55   33   33                                                 
CONECT   56   33   92                                                 
CONECT   57   23   95                                                 
CONECT   58   23   23                                                 
CONECT   59   23   23                                                 
CONECT   60   62   96                                                 
CONECT   61    5   26                                                 
CONECT   62   16   16   13   13                                       
CONECT   62   31   60                                                 
CONECT   63   50   50   48   48                                       
CONECT   63   49   10                                                 
CONECT   64   54   54   52   52                                       
CONECT   64   53   39                                                 
CONECT   65    1                                                      
CONECT   66    1                                                      
CONECT   67    3                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70   11                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   30                                                      
CONECT   84   32                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   38                                                      
CONECT   88   40                                                      
CONECT   89   43                                                      
CONECT   90   46                                                      
CONECT   91   51                                                      
CONECT   92   56                                                      
CONECT   93   49                                                      
CONECT   94   53                                                      
CONECT   95   57                                                      
CONECT   96   60                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
