COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.216   0.771  -0.285  1.00  0.00           C  
HETATM    2  C   UNL     1      11.970  -0.374   0.700  1.00  0.00           C  
HETATM    3  C   UNL     1      12.205  -1.712  -0.004  1.00  0.00           C  
HETATM    4  C   UNL     1      12.932  -0.244   1.883  1.00  0.00           C  
HETATM    5  C   UNL     1      10.528  -0.310   1.207  1.00  0.00           C  
HETATM    6  C   UNL     1       9.566  -0.440   0.024  1.00  0.00           C  
HETATM    7  N   UNL     1       8.185  -0.379   0.508  1.00  0.00           N  
HETATM    8  C   UNL     1       7.160  -0.473  -0.363  1.00  0.00           C  
HETATM    9  O   UNL     1       7.382  -0.608  -1.547  1.00  0.00           O  
HETATM   10  C   UNL     1       5.740  -0.410   0.136  1.00  0.00           C  
HETATM   11  C   UNL     1       4.778  -0.540  -1.047  1.00  0.00           C  
HETATM   12  C   UNL     1       3.357  -0.477  -0.548  1.00  0.00           C  
HETATM   13  C   UNL     1       2.761  -1.612   0.021  1.00  0.00           C  
HETATM   14  N   UNL     1       1.522  -1.590   0.466  1.00  0.00           N  
HETATM   15  N   UNL     1       3.495  -2.785   0.118  1.00  0.00           N  
HETATM   16  C   UNL     1       2.650   0.683  -0.645  1.00  0.00           C  
HETATM   17  C   UNL     1       1.323   0.700  -0.166  1.00  0.00           C  
HETATM   18  C   UNL     1       0.543   1.861  -0.236  1.00  0.00           C  
HETATM   19  C   UNL     1       0.777  -0.482   0.394  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.545  -0.471   0.873  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.290   0.662   0.793  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.756   1.839   0.245  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.588   3.063   0.175  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.136   4.250   0.746  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.915   5.388   0.679  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.147   5.359   0.046  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.611   4.192  -0.525  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.835   3.034  -0.473  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.309   1.821  -1.069  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.698   0.827  -1.558  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.186  -0.419  -2.172  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.305  -1.503  -1.098  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.012  -1.994  -0.444  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.757  -2.892  -1.433  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.503  -1.432  -0.259  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.696  -1.136  -0.811  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.765  -0.840  -1.989  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.922  -1.171   0.013  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.171  -0.977  -0.579  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.311  -1.010   0.195  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.218  -1.236   1.560  1.00  0.00           C  
HETATM   42  F   UNL     1     -11.338  -1.263   2.315  1.00  0.00           F  
HETATM   43  C   UNL     1      -8.980  -1.430   2.154  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.835  -1.404   1.388  1.00  0.00           C  
HETATM   45  H   UNL     1      11.531   0.678  -1.127  1.00  0.00           H  
HETATM   46  H   UNL     1      12.049   1.724   0.217  1.00  0.00           H  
HETATM   47  H   UNL     1      13.243   0.725  -0.645  1.00  0.00           H  
HETATM   48  H   UNL     1      13.233  -1.757  -0.364  1.00  0.00           H  
HETATM   49  H   UNL     1      12.030  -2.527   0.698  1.00  0.00           H  
HETATM   50  H   UNL     1      11.520  -1.804  -0.846  1.00  0.00           H  
HETATM   51  H   UNL     1      12.764   0.709   2.385  1.00  0.00           H  
HETATM   52  H   UNL     1      12.757  -1.060   2.585  1.00  0.00           H  
HETATM   53  H   UNL     1      13.959  -0.290   1.523  1.00  0.00           H  
HETATM   54  H   UNL     1      10.352  -1.126   1.908  1.00  0.00           H  
HETATM   55  H   UNL     1      10.360   0.643   1.708  1.00  0.00           H  
HETATM   56  H   UNL     1       9.741   0.376  -0.678  1.00  0.00           H  
HETATM   57  H   UNL     1       9.733  -1.393  -0.478  1.00  0.00           H  
HETATM   58  H   UNL     1       8.007  -0.271   1.456  1.00  0.00           H  
HETATM   59  H   UNL     1       5.564  -1.226   0.838  1.00  0.00           H  
HETATM   60  H   UNL     1       5.572   0.543   0.638  1.00  0.00           H  
HETATM   61  H   UNL     1       4.953   0.276  -1.748  1.00  0.00           H  
HETATM   62  H   UNL     1       4.945  -1.493  -1.548  1.00  0.00           H  
HETATM   63  H   UNL     1       3.094  -3.577   0.509  1.00  0.00           H  
HETATM   64  H   UNL     1       4.408  -2.814  -0.206  1.00  0.00           H  
HETATM   65  H   UNL     1       3.095   1.568  -1.076  1.00  0.00           H  
HETATM   66  H   UNL     1       0.951   2.767  -0.660  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.969  -1.366   1.305  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.305   0.660   1.164  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.177   4.280   1.241  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.561   6.306   1.123  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.748   6.255   0.001  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.572   4.176  -1.017  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.163  -0.244  -2.622  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.485  -0.744  -2.940  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.077  -1.545  -0.778  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.053  -2.264   0.611  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.289  -3.753  -1.029  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.313  -3.033  -2.418  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.438  -1.599   0.694  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.244  -0.800  -1.642  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.278  -0.860  -0.262  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.914  -1.606   3.217  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.871  -1.555   1.851  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    5    4    1    3                                       
CONECT    3    2   48   49   50                                       
CONECT    4    2   51   52   53                                       
CONECT    5    6    2   54   55                                       
CONECT    6    7    5   56   57                                       
CONECT    7    8    6   58                                            
CONECT    8   10    7    9    9                                       
CONECT    9    8    8                                                 
CONECT   10   11    8   59   60                                       
CONECT   11   10   12   61   62                                       
CONECT   12   13   11   16   16                                       
CONECT   13   15   14   14   12                                       
CONECT   14   13   13   19                                            
CONECT   15   13   63   64                                            
CONECT   16   12   12   17   65                                       
CONECT   17   19   16   18   18                                       
CONECT   18   17   17   22   66                                       
CONECT   19   14   20   20   17                                       
CONECT   20   19   19   21   67                                       
CONECT   21   20   22   22   68                                       
CONECT   22   21   21   18   23                                       
CONECT   23   22   28   28   24                                       
CONECT   24   23   25   25   69                                       
CONECT   25   24   24   26   70                                       
CONECT   26   27   27   25   71                                       
CONECT   27   28   26   26   72                                       
CONECT   28   29   23   23   27                                       
CONECT   29   30   30   30   28                                       
CONECT   30   31   29   29   29                                       
CONECT   31   32   30   73   74                                       
CONECT   32   35   33   34   31                                       
CONECT   33   32   34   75   76                                       
CONECT   34   32   33   77   78                                       
CONECT   35   36   32   79                                            
CONECT   36   38   37   37   35                                       
CONECT   37   36   36                                                 
CONECT   38   44   44   39   36                                       
CONECT   39   40   40   38   80                                       
CONECT   40   41   39   39   81                                       
CONECT   41   42   43   43   40                                       
CONECT   42   41                                                      
CONECT   43   41   41   44   82                                       
CONECT   44   43   38   38   83                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
