COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.884   0.374   1.324  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.518   0.695   0.136  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.892   0.609   0.001  1.00  0.00           C  
HETATM    4  C   UNL     1     -12.658   0.188   1.088  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.037  -0.140   2.294  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.650  -0.047   2.411  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.687   1.151  -1.044  1.00  0.00           C  
HETATM    8  N   UNL     1      -8.405   0.484  -1.078  1.00  0.00           N  
HETATM    9  C   UNL     1      -8.187  -0.740  -1.720  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.846  -1.296  -1.644  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.748  -0.450  -1.484  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.486  -1.002  -1.415  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.272  -2.362  -1.498  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.369  -3.209  -1.658  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.656  -2.675  -1.731  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.175  -4.620  -1.746  1.00  0.00           N  
HETATM   17  S   UNL     1      -5.168  -5.515  -0.269  1.00  0.00           S  
HETATM   18  C   UNL     1      -3.441  -5.468   0.162  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.329  -5.130  -2.863  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.318  -0.101  -1.244  1.00  0.00           C  
HETATM   21  O   UNL     1      -9.091  -1.352  -2.317  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.495  -6.903  -0.543  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.891  -4.786   0.756  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.394   1.061  -1.635  1.00  0.00           O  
HETATM   25  C   UNL     1      -9.491   2.666  -1.072  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.216  -0.658  -0.618  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.009   0.100  -0.356  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.397   0.542  -1.699  1.00  0.00           C  
HETATM   29  C   UNL     1       0.293  -0.568  -2.453  1.00  0.00           C  
HETATM   30  C   UNL     1       1.641  -0.805  -2.232  1.00  0.00           C  
HETATM   31  C   UNL     1       2.278  -1.832  -2.929  1.00  0.00           C  
HETATM   32  C   UNL     1       1.559  -2.609  -3.837  1.00  0.00           C  
HETATM   33  C   UNL     1       0.203  -2.360  -4.049  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.434  -1.333  -3.352  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.303   1.272   0.608  1.00  0.00           C  
HETATM   36  O   UNL     1      -0.092   1.972   0.892  1.00  0.00           O  
HETATM   37  F   UNL     1     -12.772  -0.544   3.338  1.00  0.00           F  
HETATM   38  C   UNL     1      -4.079   0.567   2.898  1.00  0.00           C  
HETATM   39  N   UNL     1      -3.280   0.239   1.697  1.00  0.00           N  
HETATM   40  C   UNL     1      -1.948   0.831   1.911  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.201   1.991   2.845  1.00  0.00           C  
HETATM   42  N   UNL     1      -3.457   1.780   3.398  1.00  0.00           N  
HETATM   43  O   UNL     1      -1.416   2.900   3.074  1.00  0.00           O  
HETATM   44  C   UNL     1      -4.062   2.630   4.407  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.545   0.766   2.499  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.954  -0.582   3.906  1.00  0.00           C  
HETATM   47  H   UNL     1      -8.804   0.443   1.425  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.385   0.862  -0.934  1.00  0.00           H  
HETATM   49  H   UNL     1     -13.737   0.116   0.997  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.167  -0.303   3.350  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.193   0.862  -1.973  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.649   0.910  -0.552  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.896   0.626  -1.418  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.268  -2.779  -1.441  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.512  -3.336  -1.856  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.896  -6.112  -0.530  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.094  -4.438   0.080  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.332  -5.829   1.186  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.272  -4.958  -2.642  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.583  -4.616  -3.794  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.490  -6.203  -3.000  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.433   2.929  -0.958  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.843   3.081  -2.023  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.051   3.167  -0.275  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.247  -1.607  -0.264  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.325  -0.598   0.142  1.00  0.00           H  
HETATM   67  H   UNL     1       0.343   1.336  -1.522  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.163   1.009  -2.333  1.00  0.00           H  
HETATM   69  H   UNL     1       2.209  -0.205  -1.526  1.00  0.00           H  
HETATM   70  H   UNL     1       3.334  -2.027  -2.764  1.00  0.00           H  
HETATM   71  H   UNL     1       2.055  -3.409  -4.379  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.356  -2.965  -4.756  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.491  -1.146  -3.524  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.976   1.982   0.111  1.00  0.00           H  
HETATM   75  H   UNL     1       0.162   1.724   1.794  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.707   0.695   0.890  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.301   0.111   2.424  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.096   3.664   4.057  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.481   2.590   5.333  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.082   2.297   4.619  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.633   0.910   1.418  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.141  -0.108   2.779  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.964   1.644   2.998  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.420  -1.491   3.513  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.902  -0.798   4.116  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.446  -0.322   4.848  1.00  0.00           H  
CONECT    1    2    6    6   47                                       
CONECT    2    1    7    3    3                                       
CONECT    3    2    2    4   48                                       
CONECT    4    3    5    5   49                                       
CONECT    5    4    4    6   37                                       
CONECT    6    1    1    5   50                                       
CONECT    7    2    8   25   51                                       
CONECT    8    7    9   52                                            
CONECT    9    8   10   21   21                                       
CONECT   10    9   15   15   11                                       
CONECT   11   10   12   12   53                                       
CONECT   12   11   11   13   20                                       
CONECT   13   12   14   14   54                                       
CONECT   14   13   13   16   15                                       
CONECT   15   10   10   14   55                                       
CONECT   16   14   19   17                                            
CONECT   17   16   18   23   23                                       
CONECT   17   22   22                                                 
CONECT   18   17   56   57   58                                       
CONECT   19   16   59   60   61                                       
CONECT   20   12   24   24   26                                       
CONECT   21    9    9                                                 
CONECT   22   17   17                                                 
CONECT   23   17   17                                                 
CONECT   24   20   20                                                 
CONECT   25    7   62   63   64                                       
CONECT   26   20   27   65                                            
CONECT   27   26   28   35   66                                       
CONECT   28   27   29   67   68                                       
CONECT   29   28   30   34   34                                       
CONECT   30   29   31   31   69                                       
CONECT   31   30   30   32   70                                       
CONECT   32   31   33   33   71                                       
CONECT   33   32   32   34   72                                       
CONECT   34   29   29   33   73                                       
CONECT   35   27   40   36   74                                       
CONECT   36   35   75                                                 
CONECT   37    5                                                      
CONECT   38   42   45   46   39                                       
CONECT   39   38   40   76                                            
CONECT   40   35   39   41   77                                       
CONECT   41   40   43   43   42                                       
CONECT   42   38   41   44                                            
CONECT   43   41   41                                                 
CONECT   44   42   78   79   80                                       
CONECT   45   38   81   82   83                                       
CONECT   46   38   84   85   86                                       
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   44                                                      
CONECT   79   44                                                      
CONECT   80   44                                                      
CONECT   81   45                                                      
CONECT   82   45                                                      
CONECT   83   45                                                      
CONECT   84   46                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
