COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.298  -4.229  -2.680  1.00  0.00           C  
HETATM    2  C   UNL     1       5.345  -2.914  -0.567  1.00  0.00           C  
HETATM    3  C   UNL     1       6.275  -0.252   1.523  1.00  0.00           C  
HETATM    4  O   UNL     1       0.259  -4.471  -0.675  1.00  0.00           O  
HETATM    5  O   UNL     1       2.172   2.280   0.260  1.00  0.00           O  
HETATM    6  O   UNL     1       6.216  -2.849   2.130  1.00  0.00           O  
HETATM    7  O   UNL     1       4.252  -1.480   2.754  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.556   2.781  -0.888  1.00  0.00           O  
HETATM    9  F   UNL     1      -7.380  -1.849   0.184  1.00  0.00           F  
HETATM   10  C   UNL     1       4.215   3.775  -2.286  1.00  0.00           C  
HETATM   11  C   UNL     1       3.411   2.727  -2.691  1.00  0.00           C  
HETATM   12  C   UNL     1       3.659   4.865  -1.642  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.564   2.763   2.426  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.347   4.134   2.257  1.00  0.00           C  
HETATM   15  C   UNL     1       2.049   2.769  -2.454  1.00  0.00           C  
HETATM   16  C   UNL     1       2.297   4.907  -1.406  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.861  -3.666   0.118  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.226  -1.522  -0.746  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.619  -4.169  -0.219  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.984  -2.027  -1.082  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.401   2.122   2.163  1.00  0.00           C  
HETATM   22  C   UNL     1       0.679  -0.929  -0.310  1.00  0.00           C  
HETATM   23  C   UNL     1       2.322  -2.685  -0.093  1.00  0.00           C  
HETATM   24  C   UNL     1       2.972  -0.392   0.225  1.00  0.00           C  
HETATM   25  C   UNL     1       0.009   3.905  -1.555  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.084   2.800   1.482  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.099   4.311   1.905  1.00  0.00           N  
HETATM   28  N   UNL     1      -1.297  -2.900  -0.888  1.00  0.00           N  
HETATM   29  N   UNL     1       0.049   1.849  -0.231  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.030  -3.290  -0.646  1.00  0.00           C  
HETATM   31  C   UNL     1       1.315   1.455   0.011  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.166  -2.342  -0.145  1.00  0.00           C  
HETATM   33  C   UNL     1       1.493   3.859  -1.812  1.00  0.00           C  
HETATM   34  C   UNL     1       1.009  -2.282  -0.344  1.00  0.00           C  
HETATM   35  C   UNL     1       1.661   0.018  -0.025  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.681  -3.350  -0.819  1.00  0.00           C  
HETATM   37  C   UNL     1       3.297  -1.740   0.190  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.326  -3.899  -1.187  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.782   3.432   0.122  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.294   3.273  -0.195  1.00  0.00           C  
HETATM   41  N   UNL     1       4.610  -2.147   0.442  1.00  0.00           N  
HETATM   42  N   UNL     1      -3.481   3.055   1.839  1.00  0.00           N  
HETATM   43  S   UNL     1       5.336  -1.762   1.880  1.00  0.00           S  
HETATM   44  H   UNL     1      -1.318  -4.627  -2.946  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.064  -4.973  -2.903  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.491  -3.325  -3.257  1.00  0.00           H  
HETATM   47  H   UNL     1       5.877  -2.230  -1.228  1.00  0.00           H  
HETATM   48  H   UNL     1       6.061  -3.572  -0.074  1.00  0.00           H  
HETATM   49  H   UNL     1       4.645  -3.512  -1.151  1.00  0.00           H  
HETATM   50  H   UNL     1       7.006  -0.455   0.740  1.00  0.00           H  
HETATM   51  H   UNL     1       5.593   0.530   1.189  1.00  0.00           H  
HETATM   52  H   UNL     1       6.791   0.077   2.425  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.380   1.833  -0.969  1.00  0.00           H  
HETATM   54  H   UNL     1       5.280   3.740  -2.467  1.00  0.00           H  
HETATM   55  H   UNL     1       3.845   1.876  -3.194  1.00  0.00           H  
HETATM   56  H   UNL     1       4.288   5.684  -1.326  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.494   2.298   2.719  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.082   4.913   2.393  1.00  0.00           H  
HETATM   59  H   UNL     1       1.421   1.950  -2.772  1.00  0.00           H  
HETATM   60  H   UNL     1       1.863   5.759  -0.904  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.595  -4.308   0.583  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.462  -0.488  -0.951  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.380  -5.202  -0.014  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.250  -1.388  -1.551  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.239   1.055   2.205  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.335  -0.614  -0.509  1.00  0.00           H  
HETATM   67  H   UNL     1       2.579  -3.734  -0.119  1.00  0.00           H  
HETATM   68  H   UNL     1       3.733   0.341   0.445  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.328   4.942  -1.557  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.513   3.353  -2.337  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.913   1.724   1.429  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.430   3.234   2.238  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.527  -1.958  -0.865  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.635   1.191  -0.430  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.133  -4.804  -0.611  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.037   4.491   0.148  1.00  0.00           H  
HETATM   77  H   UNL     1       0.297   3.770   0.575  1.00  0.00           H  
CONECT    1   38   44   45   46                                       
CONECT    2   41   47   48   49                                       
CONECT    3   43   50   51   52                                       
CONECT    4   30   30                                                 
CONECT    5   31   31                                                 
CONECT    6   43   43                                                 
CONECT    7   43   43                                                 
CONECT    8   39   53                                                 
CONECT    9   32                                                      
CONECT   10   11   11   12   54                                       
CONECT   11   10   10   15   55                                       
CONECT   12   10   16   16   56                                       
CONECT   13   14   21   21   57                                       
CONECT   14   13   27   27   58                                       
CONECT   15   11   33   33   59                                       
CONECT   16   12   12   33   60                                       
CONECT   17   19   19   32   61                                       
CONECT   18   20   32   32   62                                       
CONECT   19   17   17   36   63                                       
CONECT   20   18   36   36   64                                       
CONECT   21   13   13   42   65                                       
CONECT   22   34   34   35   66                                       
CONECT   23   34   37   37   67                                       
CONECT   24   35   35   37   68                                       
CONECT   25   33   40   69   70                                       
CONECT   26   39   42   71   72                                       
CONECT   27   14   14   42                                            
CONECT   28   30   38   73                                            
CONECT   29   31   40   74                                            
CONECT   30    4    4   28   34                                       
CONECT   31    5    5   29   35                                       
CONECT   32    9   17   18   18                                       
CONECT   33   15   15   16   25                                       
CONECT   34   22   22   23   30                                       
CONECT   35   22   24   24   31                                       
CONECT   36   19   20   20   38                                       
CONECT   37   23   23   24   41                                       
CONECT   38    1   28   36   75                                       
CONECT   39    8   26   40   76                                       
CONECT   40   25   29   39   77                                       
CONECT   41    2   37   43                                            
CONECT   42   21   26   27                                            
CONECT   43    3    6    6    7                                       
CONECT   43    7   41                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
