COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.645   0.588  -0.026  1.00  0.00           C  
HETATM    2  C   UNL     1       4.598   0.365   1.149  1.00  0.00           C  
HETATM    3  C   UNL     1       3.856   0.620   2.463  1.00  0.00           C  
HETATM    4  C   UNL     1       4.778   0.402   3.642  1.00  0.00           C  
HETATM    5  C   UNL     1       3.446   2.107   2.573  1.00  0.00           C  
HETATM    6  C   UNL     1       4.423   0.493  -1.340  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.775   1.319   0.208  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.784   0.068  -0.198  1.00  0.00           C  
HETATM    9  C   UNL     1       0.284  -1.197  -0.443  1.00  0.00           C  
HETATM   10  C   UNL     1       0.722  -2.395  -1.289  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.308  -3.518  -1.155  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.628  -3.078  -1.794  1.00  0.00           C  
HETATM   13  C   UNL     1       0.209  -4.771  -1.864  1.00  0.00           C  
HETATM   14  C   UNL     1       1.362  -0.145  -0.465  1.00  0.00           C  
HETATM   15  C   UNL     1       3.635   2.376   4.082  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.447   2.429  -0.603  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.394   3.353  -1.158  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.980   4.449  -0.425  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.014   5.297  -0.935  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.462   5.048  -2.177  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.875   3.951  -2.910  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.838   3.101  -2.399  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.847   0.454   0.874  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.179  -0.561   1.803  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.251  -1.426   2.470  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.049  -2.166   1.395  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.718  -1.151   0.466  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.646  -0.286  -0.200  1.00  0.00           C  
HETATM   29  F   UNL     1      -7.029  -2.957   2.004  1.00  0.00           F  
HETATM   30  F   UNL     1      -5.188  -2.981   0.653  1.00  0.00           F  
HETATM   31  N   UNL     1      -0.954  -0.639  -0.991  1.00  0.00           N  
HETATM   32  N   UNL     1       2.596  -0.435  -0.005  1.00  0.00           N  
HETATM   33  N   UNL     1       4.638   1.402   4.530  1.00  0.00           N  
HETATM   34  O   UNL     1      -1.463   0.320   0.946  1.00  0.00           O  
HETATM   35  O   UNL     1       5.534  -0.538   3.769  1.00  0.00           O  
HETATM   36  O   UNL     1       3.558   0.815  -2.431  1.00  0.00           O  
HETATM   37  O   UNL     1       1.121   0.962  -0.896  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.969   0.495  -0.674  1.00  0.00           O  
HETATM   39  H   UNL     1       3.191   1.576   0.056  1.00  0.00           H  
HETATM   40  H   UNL     1       4.963  -0.662   1.132  1.00  0.00           H  
HETATM   41  H   UNL     1       5.441   1.052   1.069  1.00  0.00           H  
HETATM   42  H   UNL     1       2.980  -0.024   2.537  1.00  0.00           H  
HETATM   43  H   UNL     1       4.105   2.739   1.978  1.00  0.00           H  
HETATM   44  H   UNL     1       2.405   2.247   2.279  1.00  0.00           H  
HETATM   45  S   UNL     1       5.055  -1.195  -1.547  1.00  0.00           S  
HETATM   46  H   UNL     1       5.258   1.193  -1.319  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.139   1.763   0.974  1.00  0.00           H  
HETATM   48  H   UNL     1       0.113  -1.521   0.584  1.00  0.00           H  
HETATM   49  H   UNL     1       0.797  -2.093  -2.334  1.00  0.00           H  
HETATM   50  H   UNL     1       1.693  -2.749  -0.942  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.471  -3.738  -0.100  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.323  -3.917  -1.803  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.055  -2.258  -1.217  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.444  -2.747  -2.816  1.00  0.00           H  
HETATM   55  H   UNL     1       1.149  -5.084  -1.409  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.525  -5.571  -1.769  1.00  0.00           H  
HETATM   57  H   UNL     1       0.371  -4.551  -2.919  1.00  0.00           H  
HETATM   58  H   UNL     1       3.998   3.391   4.242  1.00  0.00           H  
HETATM   59  H   UNL     1       2.696   2.224   4.613  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.013   1.988  -1.423  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.122   2.993   0.042  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.411   4.644   0.546  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.691   6.154  -0.362  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.707   5.710  -2.575  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.444   3.756  -3.881  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.158   2.242  -2.969  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.518   1.089   1.453  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.508  -1.196   1.225  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.610  -0.034   2.569  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.774  -2.149   3.132  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.922  -0.791   3.048  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.287  -1.679  -0.299  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.389  -0.516   1.045  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.122   0.437  -0.862  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.975  -0.921  -0.779  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.177  -0.778  -1.925  1.00  0.00           H  
HETATM   77  H   UNL     1       2.789  -1.321   0.340  1.00  0.00           H  
HETATM   78  H   UNL     1       5.135   1.470   5.360  1.00  0.00           H  
HETATM   79  H   UNL     1       2.792   0.231  -2.511  1.00  0.00           H  
HETATM   80  O   UNL     1       6.063  -1.472  -0.585  1.00  0.00           O  
HETATM   81  O   UNL     1       3.986  -2.104  -1.771  1.00  0.00           O  
HETATM   82  O   UNL     1       5.801  -1.161  -2.873  1.00  0.00           O  
HETATM   83  H   UNL     1       6.200  -2.006  -3.122  1.00  0.00           H  
CONECT    1    2   32    6   39                                       
CONECT    2    3    1   40   41                                       
CONECT    3    4    2    5   42                                       
CONECT    4   35   35   33    3                                       
CONECT    5    3   15   43   44                                       
CONECT    6    1   36   45   46                                       
CONECT    7   23   16   38   47                                       
CONECT    8   34   34   38   31                                       
CONECT    9   31   14   10   48                                       
CONECT   10    9   11   49   50                                       
CONECT   11   12   10   13   51                                       
CONECT   12   11   52   53   54                                       
CONECT   13   11   55   56   57                                       
CONECT   14    9   32   37   37                                       
CONECT   15   33    5   58   59                                       
CONECT   16    7   17   60   61                                       
CONECT   17   16   22   22   18                                       
CONECT   18   17   19   19   62                                       
CONECT   19   18   18   20   63                                       
CONECT   20   21   21   19   64                                       
CONECT   21   22   20   20   65                                       
CONECT   22   17   17   21   66                                       
CONECT   23   24   28    7   67                                       
CONECT   24   25   23   68   69                                       
CONECT   25   26   24   70   71                                       
CONECT   26   30   29   25   27                                       
CONECT   27   26   28   72   73                                       
CONECT   28   27   23   74   75                                       
CONECT   29   26                                                      
CONECT   30   26                                                      
CONECT   31    8    9   76                                            
CONECT   32   14    1   77                                            
CONECT   33    4   15   78                                            
CONECT   34    8    8                                                 
CONECT   35    4    4                                                 
CONECT   36    6   79                                                 
CONECT   37   14   14                                                 
CONECT   38    7    8                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6   80   80   81                                       
CONECT   45   81   82                                                 
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   36                                                      
CONECT   80   45   45                                                 
CONECT   81   45   45                                                 
CONECT   82   45   83                                                 
CONECT   83   82                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
