COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.054   5.395  -2.055  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.335   3.444  -0.900  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.122   4.072  -0.708  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.099   3.424  -0.018  1.00  0.00           C  
HETATM    5  C   UNL     1       0.829   2.443   1.175  1.00  0.00           C  
HETATM    6  C   UNL     1       2.128   2.078   1.846  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.332   4.078  -1.573  1.00  0.00           O  
HETATM    8  S   UNL     1       0.536   3.932   0.394  1.00  0.00           S  
HETATM    9  N   UNL     1       3.013   1.428   0.876  1.00  0.00           N  
HETATM   10  C   UNL     1       4.238   1.013   1.253  1.00  0.00           C  
HETATM   11  O   UNL     1       4.643   1.257   2.370  1.00  0.00           O  
HETATM   12  C   UNL     1       5.103   0.244   0.289  1.00  0.00           C  
HETATM   13  C   UNL     1       5.473   1.111  -0.916  1.00  0.00           C  
HETATM   14  C   UNL     1       6.294   2.288  -0.455  1.00  0.00           C  
HETATM   15  O   UNL     1       6.833   3.125  -1.356  1.00  0.00           O  
HETATM   16  O   UNL     1       6.468   2.478   0.725  1.00  0.00           O  
HETATM   17  C   UNL     1       6.371  -0.287   0.992  1.00  0.00           C  
HETATM   18  C   UNL     1       6.646  -1.630   0.351  1.00  0.00           C  
HETATM   19  C   UNL     1       7.795  -2.404   0.348  1.00  0.00           C  
HETATM   20  C   UNL     1       7.816  -3.616  -0.315  1.00  0.00           C  
HETATM   21  F   UNL     1       8.939  -4.367  -0.317  1.00  0.00           F  
HETATM   22  C   UNL     1       6.683  -4.060  -0.980  1.00  0.00           C  
HETATM   23  F   UNL     1       6.699  -5.245  -1.629  1.00  0.00           F  
HETATM   24  C   UNL     1       5.536  -3.288  -0.976  1.00  0.00           C  
HETATM   25  C   UNL     1       5.516  -2.073  -0.311  1.00  0.00           C  
HETATM   26  C   UNL     1       4.402  -1.054  -0.164  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.193   1.676   1.120  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.290   2.134   0.485  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.536   1.505   0.280  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.536   2.153  -0.406  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.733   1.536  -0.598  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.878   0.220  -0.059  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.280  -0.307  -0.371  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.436  -1.716   0.206  1.00  0.00           C  
HETATM   35  N   UNL     1      -7.782  -2.222  -0.094  1.00  0.00           N1+
HETATM   36  C   UNL     1      -7.925  -2.402  -1.545  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.982  -3.511   0.581  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.851  -4.468   0.200  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.625  -4.008   0.771  1.00  0.00           O  
HETATM   40  C   UNL     1      -8.784  -1.259   0.381  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.184  -1.847   0.195  1.00  0.00           C  
HETATM   42  O   UNL     1     -10.362  -2.947   1.089  1.00  0.00           O  
HETATM   43  H   UNL     1      -3.808   6.044  -1.214  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.211   5.359  -2.745  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.931   5.785  -2.572  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.965   5.069  -1.094  1.00  0.00           H  
HETATM   47  H   UNL     1       2.606   2.981   2.226  1.00  0.00           H  
HETATM   48  H   UNL     1       1.931   1.395   2.672  1.00  0.00           H  
HETATM   49  H   UNL     1       2.717   1.297  -0.039  1.00  0.00           H  
HETATM   50  H   UNL     1       6.052   0.520  -1.625  1.00  0.00           H  
HETATM   51  H   UNL     1       4.564   1.470  -1.399  1.00  0.00           H  
HETATM   52  H   UNL     1       7.352   3.865  -1.012  1.00  0.00           H  
HETATM   53  H   UNL     1       7.208   0.391   0.825  1.00  0.00           H  
HETATM   54  H   UNL     1       6.188  -0.406   2.060  1.00  0.00           H  
HETATM   55  H   UNL     1       8.678  -2.058   0.865  1.00  0.00           H  
HETATM   56  H   UNL     1       4.653  -3.633  -1.493  1.00  0.00           H  
HETATM   57  H   UNL     1       3.687  -1.381   0.591  1.00  0.00           H  
HETATM   58  H   UNL     1       3.900  -0.901  -1.120  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.704   0.508   0.660  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.134  -0.440  -0.505  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.734   0.252   1.021  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.024   0.352   0.075  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.424  -0.339  -1.451  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.692  -2.375  -0.241  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.292  -1.684   1.286  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.215  -3.154  -1.890  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.939  -2.730  -1.772  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.728  -1.457  -2.050  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.981  -3.359   1.661  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.938  -3.937   0.276  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.076  -5.466   0.577  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.756  -4.503  -0.886  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.863  -4.569   0.569  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.615  -1.050   1.437  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.699  -0.335  -0.190  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.931  -1.082   0.407  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.300  -2.192  -0.833  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.230  -3.369   1.026  1.00  0.00           H  
CONECT    1    7   43   44   45                                       
CONECT    2    3    3   30    7                                       
CONECT    3    4    2    2   46                                       
CONECT    4    8   28   28    3                                       
CONECT    5    6   27   27    8                                       
CONECT    6    9    5   47   48                                       
CONECT    7    2    1                                                 
CONECT    8    5    4                                                 
CONECT    9   10    6   49                                            
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   26   17   10   13                                       
CONECT   13   12   14   50   51                                       
CONECT   14   16   16   15   13                                       
CONECT   15   14   52                                                 
CONECT   16   14   14                                                 
CONECT   17   18   12   53   54                                       
CONECT   18   25   25   19   17                                       
CONECT   19   20   20   18   55                                       
CONECT   20   22   21   19   19                                       
CONECT   21   20                                                      
CONECT   22   23   24   24   20                                       
CONECT   23   22                                                      
CONECT   24   22   22   25   56                                       
CONECT   25   24   18   18   26                                       
CONECT   26   25   12   57   58                                       
CONECT   27    5    5   28                                            
CONECT   28   27    4    4   29                                       
CONECT   29   28   30   30   59                                       
CONECT   30   29   29    2   31                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   60   61                                       
CONECT   33   34   32   62   63                                       
CONECT   34   35   33   64   65                                       
CONECT   35   37   34   36   40                                       
CONECT   36   35   66   67   68                                       
CONECT   37   38   35   69   70                                       
CONECT   38   37   39   71   72                                       
CONECT   39   38   73                                                 
CONECT   40   35   41   74   75                                       
CONECT   41   40   42   76   77                                       
CONECT   42   41   78                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    9                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
