COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.677   2.340  -1.497  1.00  0.00           C  
HETATM    2  C   UNL     1       2.351   1.031  -1.059  1.00  0.00           C  
HETATM    3  C   UNL     1       1.266   0.850  -0.251  1.00  0.00           C  
HETATM    4  C   UNL     1       0.489   1.962   0.133  1.00  0.00           C  
HETATM    5  C   UNL     1       4.480  -0.092  -1.140  1.00  0.00           C  
HETATM    6  C   UNL     1       5.022   0.901  -0.325  1.00  0.00           C  
HETATM    7  C   UNL     1       6.357   0.868  -0.025  1.00  0.00           C  
HETATM    8  C   UNL     1       7.137  -0.173  -0.553  1.00  0.00           C  
HETATM    9  C   UNL     1       6.527  -1.134  -1.362  1.00  0.00           C  
HETATM   10  C   UNL     1       8.580  -0.250  -0.258  1.00  0.00           C  
HETATM   11  O   UNL     1       3.640   2.523  -2.224  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.691   1.768   1.012  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.377  -0.032   0.476  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.161  -1.345  -0.001  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.798  -1.877   0.004  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.668   0.501   0.483  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.721  -0.264   0.023  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.508  -1.554  -0.445  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.243  -2.098  -0.461  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.675  -2.367  -0.941  1.00  0.00           C  
HETATM   21  N   UNL     1       0.803   3.170  -0.280  1.00  0.00           N  
HETATM   22  N   UNL     1       1.911   3.379  -1.109  1.00  0.00           N  
HETATM   23  N   UNL     1       3.130  -0.058  -1.450  1.00  0.00           N  
HETATM   24  N   UNL     1       5.239  -1.065  -1.626  1.00  0.00           N  
HETATM   25  O   UNL     1       9.270   0.748  -0.329  1.00  0.00           O  
HETATM   26  N   UNL     1       9.134  -1.429   0.091  1.00  0.00           N  
HETATM   27  C   UNL     1      10.551  -1.514   0.480  1.00  0.00           C  
HETATM   28  C   UNL     1      10.642  -2.269   1.811  1.00  0.00           C  
HETATM   29  O   UNL     1       9.939  -3.508   1.698  1.00  0.00           O  
HETATM   30  C   UNL     1       8.539  -3.366   1.443  1.00  0.00           C  
HETATM   31  C   UNL     1       8.339  -2.667   0.098  1.00  0.00           C  
HETATM   32  C   UNL     1       2.241   4.735  -1.556  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.700   2.304   2.298  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.799   2.123   3.115  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.892   1.411   2.660  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.892   0.873   1.378  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.794   1.055   0.550  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.001   0.152   0.921  1.00  0.00           N  
HETATM   39  C   UNL     1      -5.220   0.730   0.957  1.00  0.00           C  
HETATM   40  N   UNL     1      -3.817  -1.144   0.440  1.00  0.00           N  
HETATM   41  C   UNL     1      -1.793   0.479  -0.842  1.00  0.00           C  
HETATM   42  O   UNL     1      -1.350  -0.879  -0.795  1.00  0.00           O  
HETATM   43  O   UNL     1      -5.356   1.864   1.381  1.00  0.00           O  
HETATM   44  F   UNL     1      -7.885   1.755   0.937  1.00  0.00           F  
HETATM   45  C   UNL     1     -10.959  -1.544  -0.819  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.448  -2.744  -2.406  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.804  -3.640  -0.101  1.00  0.00           C  
HETATM   48  H   UNL     1       1.003  -0.140   0.091  1.00  0.00           H  
HETATM   49  H   UNL     1       4.395   1.689   0.065  1.00  0.00           H  
HETATM   50  H   UNL     1       6.801   1.626   0.604  1.00  0.00           H  
HETATM   51  H   UNL     1       7.116  -1.939  -1.774  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.607  -2.877  -0.355  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.721   0.145   0.028  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.089  -3.102  -0.828  1.00  0.00           H  
HETATM   55  H   UNL     1       2.727  -0.792  -1.939  1.00  0.00           H  
HETATM   56  H   UNL     1      11.111  -2.051  -0.285  1.00  0.00           H  
HETATM   57  H   UNL     1      10.960  -0.510   0.598  1.00  0.00           H  
HETATM   58  H   UNL     1      11.688  -2.463   2.049  1.00  0.00           H  
HETATM   59  H   UNL     1      10.195  -1.666   2.602  1.00  0.00           H  
HETATM   60  H   UNL     1       8.073  -4.351   1.415  1.00  0.00           H  
HETATM   61  H   UNL     1       8.084  -2.769   2.233  1.00  0.00           H  
HETATM   62  H   UNL     1       7.285  -2.428  -0.038  1.00  0.00           H  
HETATM   63  H   UNL     1       8.677  -3.318  -0.708  1.00  0.00           H  
HETATM   64  H   UNL     1       1.728   4.943  -2.495  1.00  0.00           H  
HETATM   65  H   UNL     1       1.922   5.454  -0.801  1.00  0.00           H  
HETATM   66  H   UNL     1       3.318   4.817  -1.704  1.00  0.00           H  
HETATM   67  H   UNL     1       0.153   2.861   2.657  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.804   2.538   4.111  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.749   1.272   3.302  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.803   0.518  -1.252  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.122   1.058  -1.475  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.325  -1.315  -1.658  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.868  -0.638  -1.418  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.804  -2.133  -1.178  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.121  -1.276   0.225  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.533  -3.331  -2.493  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.292  -3.333  -2.765  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.357  -1.838  -3.005  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.965  -3.371   0.943  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.648  -4.228  -0.460  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.889  -4.226  -0.188  1.00  0.00           H  
CONECT    1    2   11   11   22                                       
CONECT    2   23    1    3    3                                       
CONECT    3    2    2    4   48                                       
CONECT    4    3   21   21   12                                       
CONECT    5    6    6   24   23                                       
CONECT    6    7    5    5   49                                       
CONECT    7    8    8    6   50                                       
CONECT    8   10    7    7    9                                       
CONECT    9    8   24   24   51                                       
CONECT   10   26   25   25    8                                       
CONECT   11    1    1                                                 
CONECT   12    4   33   33   37                                       
CONECT   13   39   14   14   16                                       
CONECT   14   15   13   13   19                                       
CONECT   15   40   40   14   52                                       
CONECT   16   13   44   17   17                                       
CONECT   17   16   16   18   53                                       
CONECT   18   19   19   17   20                                       
CONECT   19   14   18   18   54                                       
CONECT   20   18   47   46   45                                       
CONECT   21   22    4    4                                            
CONECT   22    1   32   21                                            
CONECT   23    5    2   55                                            
CONECT   24    9    9    5                                            
CONECT   25   10   10                                                 
CONECT   26   27   31   10                                            
CONECT   27   28   26   56   57                                       
CONECT   28   29   27   58   59                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   60   61                                       
CONECT   31   30   26   62   63                                       
CONECT   32   22   64   65   66                                       
CONECT   33   12   12   34   67                                       
CONECT   34   33   35   35   68                                       
CONECT   35   34   34   36   69                                       
CONECT   36   37   37   35   38                                       
CONECT   37   12   41   36   36                                       
CONECT   38   36   40   39                                            
CONECT   39   38   43   43   13                                       
CONECT   40   38   15   15                                            
CONECT   41   37   42   70   71                                       
CONECT   42   41   72                                                 
CONECT   43   39   39                                                 
CONECT   44   16                                                      
CONECT   45   20   73   74   75                                       
CONECT   46   20   76   77   78                                       
CONECT   47   20   79   80   81                                       
CONECT   48    3                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   23                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   41                                                      
CONECT   71   41                                                      
CONECT   72   42                                                      
CONECT   73   45                                                      
CONECT   74   45                                                      
CONECT   75   45                                                      
CONECT   76   46                                                      
CONECT   77   46                                                      
CONECT   78   46                                                      
CONECT   79   47                                                      
CONECT   80   47                                                      
CONECT   81   47                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
