COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.683  -5.933   1.067  1.00  0.00           C  
HETATM    2  O   UNL     1       1.630  -6.578   1.464  1.00  0.00           O  
HETATM    3  N   UNL     1       0.356  -4.773   1.672  1.00  0.00           N  
HETATM    4  C   UNL     1       1.065  -4.328   2.881  1.00  0.00           C  
HETATM    5  C   UNL     1       1.822  -3.031   2.571  1.00  0.00           C  
HETATM    6  C   UNL     1       0.908  -2.105   1.808  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.220  -2.496   1.167  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.717  -3.917   1.135  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.796  -1.367   0.570  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.033  -0.329   0.852  1.00  0.00           N  
HETATM   11  N   UNL     1       1.043  -0.777   1.632  1.00  0.00           N  
HETATM   12  C   UNL     1       2.126   0.055   2.164  1.00  0.00           C  
HETATM   13  C   UNL     1       3.272   0.108   1.151  1.00  0.00           C  
HETATM   14  O   UNL     1       3.836  -1.197   1.002  1.00  0.00           O  
HETATM   15  C   UNL     1       4.348   1.075   1.650  1.00  0.00           C  
HETATM   16  N   UNL     1       5.465   1.098   0.696  1.00  0.00           N  
HETATM   17  C   UNL     1       6.478   2.083   1.096  1.00  0.00           C  
HETATM   18  C   UNL     1       7.689   1.978   0.166  1.00  0.00           C  
HETATM   19  C   UNL     1       7.243   2.233  -1.276  1.00  0.00           C  
HETATM   20  C   UNL     1       6.154   1.224  -1.651  1.00  0.00           C  
HETATM   21  C   UNL     1       4.987   1.351  -0.669  1.00  0.00           C  
HETATM   22  C   UNL     1       8.438   2.069  -2.218  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.043  -1.342  -0.235  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.363  -2.420  -1.059  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.523  -2.397  -1.808  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.370  -1.307  -1.744  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.058  -0.227  -0.925  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.897  -0.246  -0.166  1.00  0.00           C  
HETATM   29  S   UNL     1      -5.141   1.161  -0.847  1.00  0.00           S  
HETATM   30  C   UNL     1      -4.307   2.263   0.328  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.122   3.518   0.506  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.160   3.655  -0.099  1.00  0.00           O  
HETATM   33  N   UNL     1      -4.695   4.487   1.339  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.340   5.671   1.588  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.605   6.371   2.471  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.464   5.600   2.784  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.545   4.453   2.084  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.634  -1.288  -2.565  1.00  0.00           C  
HETATM   39  F   UNL     1      -5.728  -2.473  -3.303  1.00  0.00           F  
HETATM   40  F   UNL     1      -6.740  -1.177  -1.715  1.00  0.00           F  
HETATM   41  F   UNL     1      -5.606  -0.196  -3.439  1.00  0.00           F  
HETATM   42  O   UNL     1       8.953   0.741  -2.107  1.00  0.00           O  
HETATM   43  C   UNL     1      -0.125  -6.424  -0.107  1.00  0.00           C  
HETATM   44  C   UNL     1       7.990   2.324  -3.658  1.00  0.00           C  
HETATM   45  C   UNL     1       9.528   3.072  -1.837  1.00  0.00           C  
HETATM   46  H   UNL     1       0.346  -4.148   3.679  1.00  0.00           H  
HETATM   47  H   UNL     1       1.772  -5.097   3.192  1.00  0.00           H  
HETATM   48  H   UNL     1       2.129  -2.556   3.502  1.00  0.00           H  
HETATM   49  H   UNL     1       2.701  -3.256   1.967  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.945  -4.207   0.109  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.610  -4.009   1.754  1.00  0.00           H  
HETATM   52  H   UNL     1       1.754   1.063   2.344  1.00  0.00           H  
HETATM   53  H   UNL     1       2.487  -0.372   3.099  1.00  0.00           H  
HETATM   54  H   UNL     1       2.892   0.451   0.190  1.00  0.00           H  
HETATM   55  H   UNL     1       4.195  -1.566   1.821  1.00  0.00           H  
HETATM   56  H   UNL     1       3.925   2.075   1.737  1.00  0.00           H  
HETATM   57  H   UNL     1       4.709   0.746   2.624  1.00  0.00           H  
HETATM   58  H   UNL     1       6.055   3.086   1.030  1.00  0.00           H  
HETATM   59  H   UNL     1       6.790   1.888   2.122  1.00  0.00           H  
HETATM   60  H   UNL     1       8.434   2.720   0.453  1.00  0.00           H  
HETATM   61  H   UNL     1       8.120   0.980   0.242  1.00  0.00           H  
HETATM   62  H   UNL     1       6.847   3.245  -1.361  1.00  0.00           H  
HETATM   63  H   UNL     1       5.801   1.428  -2.663  1.00  0.00           H  
HETATM   64  H   UNL     1       6.561   0.214  -1.604  1.00  0.00           H  
HETATM   65  H   UNL     1       4.216   0.625  -0.924  1.00  0.00           H  
HETATM   66  H   UNL     1       4.571   2.357  -0.727  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.704  -3.274  -1.111  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.769  -3.233  -2.446  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.655   0.590   0.474  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.203   1.758   1.289  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.320   2.522  -0.054  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.276   5.987   1.151  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.844   7.347   2.869  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.672   5.878   3.463  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.827   3.647   2.104  1.00  0.00           H  
HETATM   76  H   UNL     1       8.314   0.051  -2.334  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.990  -6.980   0.255  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.462  -5.572  -0.698  1.00  0.00           H  
HETATM   79  H   UNL     1       0.493  -7.074  -0.726  1.00  0.00           H  
HETATM   80  H   UNL     1       7.597   3.338  -3.743  1.00  0.00           H  
HETATM   81  H   UNL     1       8.842   2.208  -4.329  1.00  0.00           H  
HETATM   82  H   UNL     1       7.213   1.610  -3.930  1.00  0.00           H  
HETATM   83  H   UNL     1       9.847   2.890  -0.811  1.00  0.00           H  
HETATM   84  H   UNL     1      10.379   2.955  -2.508  1.00  0.00           H  
HETATM   85  H   UNL     1       9.135   4.085  -1.921  1.00  0.00           H  
CONECT    1    2    2    3   43                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    8                                            
CONECT    4    3    5   46   47                                       
CONECT    5    4    6   48   49                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8    9                                       
CONECT    8    3    7   50   51                                       
CONECT    9    7   10   10   23                                       
CONECT   10    9    9   11                                            
CONECT   11    6   10   12                                            
CONECT   12   11   13   52   53                                       
CONECT   13   12   14   15   54                                       
CONECT   14   13   55                                                 
CONECT   15   13   16   56   57                                       
CONECT   16   15   17   21                                            
CONECT   17   16   18   58   59                                       
CONECT   18   17   19   60   61                                       
CONECT   19   18   20   22   62                                       
CONECT   20   19   21   63   64                                       
CONECT   21   16   20   65   66                                       
CONECT   22   19   42   44   45                                       
CONECT   23    9   24   24   28                                       
CONECT   24   23   23   25   67                                       
CONECT   25   24   26   26   68                                       
CONECT   26   25   25   27   38                                       
CONECT   27   26   28   28   29                                       
CONECT   28   23   27   27   69                                       
CONECT   29   27   30                                                 
CONECT   30   29   31   70   71                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   37                                            
CONECT   34   33   35   35   72                                       
CONECT   35   34   34   36   73                                       
CONECT   36   35   37   37   74                                       
CONECT   37   33   36   36   75                                       
CONECT   38   26   39   40   41                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41   38                                                      
CONECT   42   22   76                                                 
CONECT   43    1   77   78   79                                       
CONECT   44   22   80   81   82                                       
CONECT   45   22   83   84   85                                       
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   28                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
CONECT   85   45                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
