COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.949   3.592   2.725  1.00  0.00           C  
HETATM    2  C   UNL     1       0.179  -6.375   1.943  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.856  -5.447   1.294  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.865  -2.993   0.821  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.368  -2.974   0.727  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.024  -0.668   1.380  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.894   0.458   1.875  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.268   0.378   1.747  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.066   1.411   2.202  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.490   2.525   2.785  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.116   2.605   2.913  1.00  0.00           C  
HETATM   12  C   UNL     1       4.187   1.599   1.500  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.318   1.569   2.464  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.820   1.656   2.603  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.822  -1.190  -0.846  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.655   0.054  -1.021  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.035  -0.031  -1.008  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.800   1.109  -1.168  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.184   2.335  -1.341  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.805   2.420  -1.355  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.040   1.279  -1.196  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.536   1.373  -1.213  1.00  0.00           C  
HETATM   23  C   UNL     1       4.467   0.897   0.170  1.00  0.00           C  
HETATM   24  C   UNL     1       0.699   2.683  -2.373  1.00  0.00           C  
HETATM   25  C   UNL     1       1.679   1.707  -3.027  1.00  0.00           C  
HETATM   26  C   UNL     1       0.919   0.713  -3.866  1.00  0.00           C  
HETATM   27  C   UNL     1       2.984  -0.191  -2.342  1.00  0.00           C  
HETATM   28  C   UNL     1       3.590  -0.352   0.058  1.00  0.00           C  
HETATM   29  C   UNL     1       3.769  -0.979  -1.326  1.00  0.00           C  
HETATM   30  C   UNL     1       2.396  -2.682  -0.312  1.00  0.00           C  
HETATM   31  C   UNL     1       1.861  -4.088  -0.220  1.00  0.00           C  
HETATM   32  C   UNL     1       1.234  -4.302   1.160  1.00  0.00           C  
HETATM   33  C   UNL     1       1.538  -5.716   1.660  1.00  0.00           C  
HETATM   34  N   UNL     1       5.692   4.658   2.818  1.00  0.00           N  
HETATM   35  N   UNL     1       4.083   3.266   3.742  1.00  0.00           N  
HETATM   36  N   UNL     1       5.027   2.795   1.607  1.00  0.00           N  
HETATM   37  N   UNL     1       3.270  -2.369  -1.308  1.00  0.00           N  
HETATM   38  N   UNL     1      -0.219  -4.151   1.072  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.831  -1.589   0.568  1.00  0.00           N  
HETATM   40  N   UNL     1       0.494   1.056  -5.099  1.00  0.00           N  
HETATM   41  N   UNL     1       2.417   0.994  -1.957  1.00  0.00           N  
HETATM   42  O   UNL     1       2.052  -1.841   0.492  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.235  -1.968   0.669  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.476   2.857   3.298  1.00  0.00           O  
HETATM   45  O   UNL     1       0.689  -0.397  -3.433  1.00  0.00           O  
HETATM   46  O   UNL     1       2.857  -0.598  -3.478  1.00  0.00           O  
HETATM   47  S   UNL     1      -1.000   2.175  -2.750  1.00  0.00           S  
HETATM   48  H   UNL     1       0.007  -6.442   3.017  1.00  0.00           H  
HETATM   49  H   UNL     1       0.137  -7.366   1.491  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.181  -5.866   0.342  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.713  -5.329   1.957  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.686  -3.564  -0.132  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.795  -3.397   1.637  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.215  -0.262   0.772  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.605  -1.205   2.230  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.718  -0.492   1.292  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.139   1.349   2.102  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.113   3.332   3.139  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.666   3.473   3.372  1.00  0.00           H  
HETATM   60  H   UNL     1       3.137   1.888   1.545  1.00  0.00           H  
HETATM   61  H   UNL     1       4.413   0.921   2.323  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.457   0.795   3.164  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.363   1.666   1.614  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.237  -1.994  -1.453  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.798  -0.988  -1.161  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.516  -0.989  -0.873  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.878   1.042  -1.158  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.782   3.226  -1.466  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.324   3.378  -1.491  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.199   1.960  -0.359  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.109   0.371  -1.158  1.00  0.00           H  
HETATM   72  H   UNL     1       4.240   1.575  -0.653  1.00  0.00           H  
HETATM   73  H   UNL     1       5.517   0.609   0.125  1.00  0.00           H  
HETATM   74  H   UNL     1       0.849   2.680  -1.293  1.00  0.00           H  
HETATM   75  H   UNL     1       0.872   3.687  -2.762  1.00  0.00           H  
HETATM   76  H   UNL     1       2.382   2.257  -3.653  1.00  0.00           H  
HETATM   77  H   UNL     1       3.882  -1.071   0.823  1.00  0.00           H  
HETATM   78  H   UNL     1       2.545  -0.075   0.199  1.00  0.00           H  
HETATM   79  H   UNL     1       4.825  -0.971  -1.596  1.00  0.00           H  
HETATM   80  H   UNL     1       1.105  -4.241  -0.991  1.00  0.00           H  
HETATM   81  H   UNL     1       2.676  -4.798  -0.363  1.00  0.00           H  
HETATM   82  H   UNL     1       1.638  -3.568   1.860  1.00  0.00           H  
HETATM   83  H   UNL     1       2.130  -5.671   2.574  1.00  0.00           H  
HETATM   84  H   UNL     1       2.074  -6.277   0.895  1.00  0.00           H  
HETATM   85  H   UNL     1       5.637   5.220   3.606  1.00  0.00           H  
HETATM   86  H   UNL     1       3.527   2.475   3.671  1.00  0.00           H  
HETATM   87  H   UNL     1       4.028   3.829   4.531  1.00  0.00           H  
HETATM   88  H   UNL     1       5.638   3.024   0.890  1.00  0.00           H  
HETATM   89  H   UNL     1       3.549  -3.022  -1.968  1.00  0.00           H  
HETATM   90  H   UNL     1       0.678   1.943  -5.445  1.00  0.00           H  
HETATM   91  H   UNL     1       0.005   0.416  -5.639  1.00  0.00           H  
HETATM   92  H   UNL     1       2.493   1.340  -1.054  1.00  0.00           H  
HETATM   93  H   UNL     1       0.468   2.943   3.491  1.00  0.00           H  
CONECT    1   34   34   36   35                                       
CONECT    2    3   33   48   49                                       
CONECT    3   38    2   50   51                                       
CONECT    4   43   43    5   38                                       
CONECT    5   39    4   52   53                                       
CONECT    6    7   39   54   55                                       
CONECT    7   13    6    8    8                                       
CONECT    8    7    7    9   56                                       
CONECT    9   10   10    8   57                                       
CONECT   10   11    9    9   58                                       
CONECT   11   13   13   10   59                                       
CONECT   12   23   36   60   61                                       
CONECT   13   14   11   11    7                                       
CONECT   14   44   13   62   63                                       
CONECT   15   16   39   64   65                                       
CONECT   16   21   21   17   15                                       
CONECT   17   18   18   16   66                                       
CONECT   18   19   17   17   67                                       
CONECT   19   20   20   18   68                                       
CONECT   20   19   19   21   69                                       
CONECT   21   20   22   16   16                                       
CONECT   22   21   47   70   71                                       
CONECT   23   28   12   72   73                                       
CONECT   24   47   25   74   75                                       
CONECT   25   24   26   41   76                                       
CONECT   26   45   45   25   40                                       
CONECT   27   41   46   46   29                                       
CONECT   28   29   23   77   78                                       
CONECT   29   27   28   37   79                                       
CONECT   30   42   42   37   31                                       
CONECT   31   30   32   80   81                                       
CONECT   32   38   33   31   82                                       
CONECT   33    2   32   83   84                                       
CONECT   34    1    1   85                                            
CONECT   35    1   86   87                                            
CONECT   36   12    1   88                                            
CONECT   37   29   30   89                                            
CONECT   38    4    3   32                                            
CONECT   39   15    6    5                                            
CONECT   40   26   90   91                                            
CONECT   41   25   27   92                                            
CONECT   42   30   30                                                 
CONECT   43    4    4                                                 
CONECT   44   14   93                                                 
CONECT   45   26   26                                                 
CONECT   46   27   27                                                 
CONECT   47   22   24                                                 
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   44                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
