COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.539  -1.104   0.894  1.00  0.00           C  
HETATM    2  C   UNL     1       3.667  -4.197   0.496  1.00  0.00           C  
HETATM    3  C   UNL     1       3.816  -1.724   1.727  1.00  0.00           C  
HETATM    4  C   UNL     1       6.520   0.316  -0.642  1.00  0.00           C  
HETATM    5  C   UNL     1       8.243   1.347   0.853  1.00  0.00           C  
HETATM    6  C   UNL     1       9.630   3.148   0.101  1.00  0.00           C  
HETATM    7  C   UNL     1       8.006   2.191  -1.375  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.679   3.569  -2.242  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.068   2.195  -2.793  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.286   2.295  -4.304  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.948   1.194  -2.504  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.839   0.972  -0.994  1.00  0.00           C  
HETATM   13  C   UNL     1       0.531   0.669  -0.516  1.00  0.00           C  
HETATM   14  C   UNL     1       1.739  -0.214  -0.334  1.00  0.00           C  
HETATM   15  C   UNL     1       2.689  -2.071   1.005  1.00  0.00           C  
HETATM   16  C   UNL     1       2.613  -3.309   0.394  1.00  0.00           C  
HETATM   17  C   UNL     1       4.798  -3.848   1.214  1.00  0.00           C  
HETATM   18  C   UNL     1       4.872  -2.610   1.830  1.00  0.00           C  
HETATM   19  C   UNL     1       4.147   0.136  -0.458  1.00  0.00           C  
HETATM   20  C   UNL     1       7.620   1.312  -0.381  1.00  0.00           C  
HETATM   21  C   UNL     1       9.248   2.264   1.094  1.00  0.00           C  
HETATM   22  C   UNL     1       9.007   3.113  -1.132  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.094   0.305  -0.493  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.402   0.404   0.284  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.259   1.470   0.968  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.494   2.056   2.156  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.324   3.177   2.831  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.735   3.155   4.268  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.420   1.657   4.470  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.213  -0.269  -0.826  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.400  -1.417  -1.427  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.182  -2.082  -2.581  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.005  -3.586  -2.270  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.208  -2.517  -0.405  1.00  0.00           C  
HETATM   35  F   UNL     1       5.830  -4.715   1.314  1.00  0.00           F  
HETATM   36  N   UNL     1      -0.684   0.118  -0.708  1.00  0.00           N  
HETATM   37  N   UNL     1       2.928   0.620  -0.145  1.00  0.00           N  
HETATM   38  N   UNL     1      -4.211   1.033  -0.294  1.00  0.00           N  
HETATM   39  O   UNL     1       0.652   1.876  -0.490  1.00  0.00           O  
HETATM   40  O   UNL     1       4.258  -0.991  -0.897  1.00  0.00           O  
HETATM   41  O   UNL     1       5.240   0.902  -0.283  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.099  -0.887  -0.268  1.00  0.00           O  
HETATM   43  O   UNL     1      -5.313   1.058   3.174  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.811  -3.638  -0.826  1.00  0.00           O  
HETATM   45  O   UNL     1      -4.602  -2.402   0.634  1.00  0.00           O  
HETATM   46  H   UNL     1       1.497  -0.484   1.789  1.00  0.00           H  
HETATM   47  H   UNL     1       0.606  -1.659   0.793  1.00  0.00           H  
HETATM   48  H   UNL     1       3.607  -5.164   0.018  1.00  0.00           H  
HETATM   49  H   UNL     1       3.873  -0.759   2.208  1.00  0.00           H  
HETATM   50  H   UNL     1       6.514   0.049  -1.699  1.00  0.00           H  
HETATM   51  H   UNL     1       6.690  -0.579  -0.043  1.00  0.00           H  
HETATM   52  H   UNL     1       7.941   0.659   1.629  1.00  0.00           H  
HETATM   53  H   UNL     1      10.415   3.865   0.290  1.00  0.00           H  
HETATM   54  H   UNL     1       7.519   2.164  -2.339  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.711   3.862  -2.647  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.431   4.303  -2.533  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.619   3.521  -1.155  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.988   1.860  -2.314  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.367   2.631  -4.782  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.563   1.316  -4.696  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.085   3.008  -4.510  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.171   0.248  -2.995  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.004   1.587  -2.882  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.714   1.933  -0.493  1.00  0.00           H  
HETATM   65  H   UNL     1       1.869  -0.838  -1.218  1.00  0.00           H  
HETATM   66  H   UNL     1       1.729  -3.582  -0.162  1.00  0.00           H  
HETATM   67  H   UNL     1       5.752  -2.339   2.394  1.00  0.00           H  
HETATM   68  H   UNL     1       9.734   2.292   2.058  1.00  0.00           H  
HETATM   69  H   UNL     1       9.302   3.806  -1.906  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.098  -0.343   1.016  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.489   2.264   0.257  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.187   1.019   1.321  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.528   2.442   1.830  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.149   4.139   2.350  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.385   2.930   2.837  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.825   3.753   4.324  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.470   3.501   4.994  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.478   1.546   5.008  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.224   1.183   5.033  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.142  -0.659  -0.410  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.440   0.461  -1.603  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.435  -1.054  -1.779  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.234  -1.800  -2.550  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.742  -1.828  -3.545  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.899  -4.141  -2.555  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.131  -3.982  -2.788  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.794  -0.844  -0.656  1.00  0.00           H  
HETATM   88  H   UNL     1       2.840   1.520   0.206  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.227   1.972  -0.535  1.00  0.00           H  
CONECT    1   15   14   46   47                                       
CONECT    2   16   17   17   48                                       
CONECT    3   18   18   15   49                                       
CONECT    4   41   20   50   51                                       
CONECT    5   20   20   21   52                                       
CONECT    6   21   21   22   53                                       
CONECT    7   22   22   20   54                                       
CONECT    8    9   55   56   57                                       
CONECT    9    8   10   11   58                                       
CONECT   10    9   59   60   61                                       
CONECT   11    9   12   62   63                                       
CONECT   12   11   36   23   64                                       
CONECT   13   36   39   39   14                                       
CONECT   14   13    1   37   65                                       
CONECT   15    1   16   16    3                                       
CONECT   16   15   15    2   66                                       
CONECT   17    2    2   35   18                                       
CONECT   18   17    3    3   67                                       
CONECT   19   37   40   40   41                                       
CONECT   20    4    5    5    7                                       
CONECT   21    5    6    6   68                                       
CONECT   22    6    7    7   69                                       
CONECT   23   12   42   42   38                                       
CONECT   24   38   25   30   70                                       
CONECT   25   26   24   71   72                                       
CONECT   26   25   27   43   73                                       
CONECT   27   26   28   74   75                                       
CONECT   28   27   29   76   77                                       
CONECT   29   28   43   78   79                                       
CONECT   30   24   31   80   81                                       
CONECT   31   30   32   34   82                                       
CONECT   32   31   33   83   84                                       
CONECT   33   32   44   85   86                                       
CONECT   34   44   45   45   31                                       
CONECT   35   17                                                      
CONECT   36   13   12   87                                            
CONECT   37   14   19   88                                            
CONECT   38   23   24   89                                            
CONECT   39   13   13                                                 
CONECT   40   19   19                                                 
CONECT   41   19    4                                                 
CONECT   42   23   23                                                 
CONECT   43   29   26                                                 
CONECT   44   33   34                                                 
CONECT   45   34   34                                                 
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   16                                                      
CONECT   67   18                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   33                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
