COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.800  -0.616  -4.733  1.00  0.00           C  
HETATM    2  C   UNL     1       1.200   0.223  -0.943  1.00  0.00           C  
HETATM    3  C   UNL     1       1.519   1.580  -1.056  1.00  0.00           C  
HETATM    4  C   UNL     1       2.722   2.053  -0.569  1.00  0.00           C  
HETATM    5  C   UNL     1       3.622   1.166   0.040  1.00  0.00           C  
HETATM    6  C   UNL     1       3.300  -0.199   0.153  1.00  0.00           C  
HETATM    7  C   UNL     1       2.086  -0.661  -0.342  1.00  0.00           C  
HETATM    8  C   UNL     1       5.329   0.108   1.071  1.00  0.00           C  
HETATM    9  C   UNL     1       4.945   1.322   0.647  1.00  0.00           C  
HETATM   10  C   UNL     1       4.433  -2.243   1.102  1.00  0.00           C  
HETATM   11  C   UNL     1       5.701  -2.519   1.913  1.00  0.00           C  
HETATM   12  C   UNL     1       3.224  -2.642   1.909  1.00  0.00           C  
HETATM   13  C   UNL     1       1.379  -2.012   3.136  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.483  -1.183  -2.471  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.250  -1.249  -1.080  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.063  -0.797  -0.578  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.097  -0.274  -1.465  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.360  -0.227  -2.803  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.543  -0.678  -3.292  1.00  0.00           N  
HETATM   20  N   UNL     1       4.358  -0.815   0.785  1.00  0.00           N  
HETATM   21  N   UNL     1       2.447  -1.709   2.423  1.00  0.00           N  
HETATM   22  C   UNL     1       1.036  -3.330   3.370  1.00  0.00           C  
HETATM   23  C   UNL     1       1.826  -4.339   2.840  1.00  0.00           C  
HETATM   24  C   UNL     1       2.941  -3.982   2.097  1.00  0.00           C  
HETATM   25  C   UNL     1       4.470  -3.041  -0.176  1.00  0.00           C  
HETATM   26  C   UNL     1       4.850  -4.369  -0.141  1.00  0.00           C  
HETATM   27  C   UNL     1       4.880  -5.094  -1.322  1.00  0.00           C  
HETATM   28  C   UNL     1       4.525  -4.453  -2.500  1.00  0.00           C  
HETATM   29  C   UNL     1       4.156  -3.122  -2.456  1.00  0.00           C  
HETATM   30  N   UNL     1       4.134  -2.465  -1.313  1.00  0.00           N  
HETATM   31  N   UNL     1       3.040   3.407  -0.682  1.00  0.00           N  
HETATM   32  S   UNL     1       1.849   4.551  -0.564  1.00  0.00           S  
HETATM   33  C   UNL     1       1.135   4.292   1.084  1.00  0.00           C  
HETATM   34  C   UNL     1       0.009   5.301   1.316  1.00  0.00           C  
HETATM   35  F   UNL     1      -0.983   5.124   0.345  1.00  0.00           F  
HETATM   36  F   UNL     1      -0.541   5.102   2.587  1.00  0.00           F  
HETATM   37  F   UNL     1       0.521   6.600   1.228  1.00  0.00           F  
HETATM   38  O   UNL     1       2.544   5.789  -0.617  1.00  0.00           O  
HETATM   39  O   UNL     1       0.916   4.191  -1.573  1.00  0.00           O  
HETATM   40  N   UNL     1      -3.227  -1.773  -0.222  1.00  0.00           N  
HETATM   41  C   UNL     1      -4.449  -1.206  -0.165  1.00  0.00           C  
HETATM   42  N   UNL     1      -5.355  -1.646   0.730  1.00  0.00           N  
HETATM   43  C   UNL     1      -6.655  -1.123   0.725  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.889   0.154   0.234  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.172   0.667   0.231  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.223  -0.090   0.716  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.994  -1.362   1.207  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.714  -1.884   1.208  1.00  0.00           C  
HETATM   49  F   UNL     1      -7.490  -3.128   1.687  1.00  0.00           F  
HETATM   50  O   UNL     1      -4.732  -0.296  -0.920  1.00  0.00           O  
HETATM   51  O   UNL     1      -3.539  -1.588  -2.931  1.00  0.00           O  
HETATM   52  H   UNL     1      -2.791  -1.018  -4.943  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.751   0.421  -5.066  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.050  -1.204  -5.262  1.00  0.00           H  
HETATM   55  H   UNL     1       0.824   2.260  -1.526  1.00  0.00           H  
HETATM   56  H   UNL     1       1.832  -1.707  -0.258  1.00  0.00           H  
HETATM   57  H   UNL     1       6.265  -0.110   1.565  1.00  0.00           H  
HETATM   58  H   UNL     1       5.506   2.241   0.737  1.00  0.00           H  
HETATM   59  H   UNL     1       5.674  -1.942   2.837  1.00  0.00           H  
HETATM   60  H   UNL     1       5.757  -3.582   2.149  1.00  0.00           H  
HETATM   61  H   UNL     1       6.575  -2.230   1.329  1.00  0.00           H  
HETATM   62  H   UNL     1       0.766  -1.220   3.541  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.866  -0.840   0.483  1.00  0.00           H  
HETATM   64  H   UNL     1       0.380   0.175  -3.479  1.00  0.00           H  
HETATM   65  H   UNL     1       0.160  -3.571   3.954  1.00  0.00           H  
HETATM   66  H   UNL     1       1.580  -5.377   3.004  1.00  0.00           H  
HETATM   67  H   UNL     1       3.579  -4.741   1.669  1.00  0.00           H  
HETATM   68  H   UNL     1       5.121  -4.836   0.794  1.00  0.00           H  
HETATM   69  H   UNL     1       5.174  -6.133  -1.326  1.00  0.00           H  
HETATM   70  H   UNL     1       4.538  -4.987  -3.438  1.00  0.00           H  
HETATM   71  H   UNL     1       3.874  -2.616  -3.368  1.00  0.00           H  
HETATM   72  H   UNL     1       3.960   3.678  -0.831  1.00  0.00           H  
HETATM   73  H   UNL     1       0.736   3.280   1.152  1.00  0.00           H  
HETATM   74  H   UNL     1       1.908   4.430   1.840  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.025  -2.545   0.330  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.108  -2.325   1.377  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.069   0.746  -0.145  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.354   1.660  -0.151  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.223   0.316   0.716  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.817  -1.950   1.585  1.00  0.00           H  
CONECT    1   19   52   53   54                                       
CONECT    2    7   17    3    3                                       
CONECT    3    2    2    4   55                                       
CONECT    4    5    5    3   31                                       
CONECT    5    6    9    4    4                                       
CONECT    6   20    7    7    5                                       
CONECT    7    6    6    2   56                                       
CONECT    8   20    9    9   57                                       
CONECT    9    8    8    5   58                                       
CONECT   10   11   25   12   20                                       
CONECT   11   10   59   60   61                                       
CONECT   12   24   10   21   21                                       
CONECT   13   22   22   21   62                                       
CONECT   14   15   51   51   19                                       
CONECT   15   40   16   16   14                                       
CONECT   16   15   15   17   63                                       
CONECT   17   16    2   18   18                                       
CONECT   18   17   17   19   64                                       
CONECT   19   14   18    1                                            
CONECT   20   10    8    6                                            
CONECT   21   12   12   13                                            
CONECT   22   23   13   13   65                                       
CONECT   23   24   24   22   66                                       
CONECT   24   23   23   12   67                                       
CONECT   25   30   10   26   26                                       
CONECT   26   25   25   27   68                                       
CONECT   27   28   28   26   69                                       
CONECT   28   29   27   27   70                                       
CONECT   29   30   30   28   71                                       
CONECT   30   29   29   25                                            
CONECT   31    4   32   72                                            
CONECT   32   31   38   38   33                                       
CONECT   32   39   39                                                 
CONECT   33   32   34   73   74                                       
CONECT   34   36   33   35   37                                       
CONECT   35   34                                                      
CONECT   36   34                                                      
CONECT   37   34                                                      
CONECT   38   32   32                                                 
CONECT   39   32   32                                                 
CONECT   40   41   15   75                                            
CONECT   41   42   50   50   40                                       
CONECT   42   43   41   76                                            
CONECT   43   48   48   44   42                                       
CONECT   44   45   45   43   77                                       
CONECT   45   46   44   44   78                                       
CONECT   46   47   47   45   79                                       
CONECT   47   46   46   48   80                                       
CONECT   48   47   49   43   43                                       
CONECT   49   48                                                      
CONECT   50   41   41                                                 
CONECT   51   14   14                                                 
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    3                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   13                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   40                                                      
CONECT   76   42                                                      
CONECT   77   44                                                      
CONECT   78   45                                                      
CONECT   79   46                                                      
CONECT   80   47                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
