COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.396  -1.988  -1.335  1.00  0.00           C  
HETATM    2  C   UNL     1       5.263  -1.201  -0.619  1.00  0.00           C  
HETATM    3  C   UNL     1       4.368  -0.264   0.150  1.00  0.00           C  
HETATM    4  C   UNL     1       3.792   2.120   0.517  1.00  0.00           C  
HETATM    5  C   UNL     1       4.349   2.663   1.660  1.00  0.00           C  
HETATM    6  C   UNL     1       3.614   3.539   2.437  1.00  0.00           C  
HETATM    7  C   UNL     1       2.323   3.871   2.072  1.00  0.00           C  
HETATM    8  C   UNL     1       1.766   3.328   0.930  1.00  0.00           C  
HETATM    9  C   UNL     1       2.500   2.452   0.153  1.00  0.00           C  
HETATM   10  C   UNL     1       2.401  -1.596   0.692  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.986  -3.071   0.762  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.360  -2.266  -0.239  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.579   0.068   0.185  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.013   0.793  -0.855  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.687   2.123  -0.670  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.922   2.732   0.549  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.486   2.013   1.587  1.00  0.00           C  
HETATM   18  F   UNL     1      -3.086   3.507  -2.557  1.00  0.00           F  
HETATM   19  C   UNL     1      -2.072   2.911  -1.798  1.00  0.00           C  
HETATM   20  F   UNL     1      -1.237   3.903  -1.274  1.00  0.00           F  
HETATM   21  F   UNL     1      -1.324   2.053  -2.612  1.00  0.00           F  
HETATM   22  C   UNL     1      -3.815   0.683   1.410  1.00  0.00           C  
HETATM   23 CL   UNL     1      -4.522  -0.219   2.714  1.00  0.00          Cl  
HETATM   24  N   UNL     1      -3.916  -1.276   0.000  1.00  0.00           N  
HETATM   25  S   UNL     1      -2.970  -2.243  -0.955  1.00  0.00           S  
HETATM   26  O   UNL     1      -2.844  -1.575  -2.203  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.485  -3.561  -0.826  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.926  -4.068   1.391  1.00  0.00           C  
HETATM   29  C   UNL     1       0.318  -2.927   1.172  1.00  0.00           C  
HETATM   30  S   UNL     1      -0.069  -1.264  -0.730  1.00  0.00           S  
HETATM   31  C   UNL     1       1.000  -1.970   0.475  1.00  0.00           C  
HETATM   32  O   UNL     1       3.051  -2.151   1.558  1.00  0.00           O  
HETATM   33  N   UNL     1       2.968  -0.638  -0.067  1.00  0.00           N  
HETATM   34  O   UNL     1       4.781  -2.090  -1.281  1.00  0.00           O  
HETATM   35  O   UNL     1       6.596  -1.049  -0.569  1.00  0.00           O  
HETATM   36  C   UNL     1       4.594   1.169  -0.334  1.00  0.00           C  
HETATM   37  H   UNL     1       8.453  -1.753  -1.207  1.00  0.00           H  
HETATM   38  H   UNL     1       7.204  -3.001  -0.982  1.00  0.00           H  
HETATM   39  H   UNL     1       7.132  -1.914  -2.390  1.00  0.00           H  
HETATM   40  H   UNL     1       4.601  -0.330   1.213  1.00  0.00           H  
HETATM   41  H   UNL     1       5.357   2.403   1.945  1.00  0.00           H  
HETATM   42  H   UNL     1       4.049   3.964   3.330  1.00  0.00           H  
HETATM   43  H   UNL     1       1.749   4.555   2.680  1.00  0.00           H  
HETATM   44  H   UNL     1       0.757   3.587   0.645  1.00  0.00           H  
HETATM   45  H   UNL     1       2.065   2.027  -0.740  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.829   0.319  -1.807  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.665   3.771   0.690  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.668   2.491   2.538  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.705  -1.642   0.430  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.532  -3.570   2.147  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.575  -4.490   0.624  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.349  -4.867   1.857  1.00  0.00           H  
HETATM   53  H   UNL     1       0.759  -3.511   1.966  1.00  0.00           H  
HETATM   54  H   UNL     1       2.450  -0.195  -0.757  1.00  0.00           H  
HETATM   55  H   UNL     1       5.653   1.417  -0.255  1.00  0.00           H  
HETATM   56  H   UNL     1       4.278   1.256  -1.373  1.00  0.00           H  
CONECT    1   35   37   38   39                                       
CONECT    2   34   34   35    3                                       
CONECT    3    2   33   36   40                                       
CONECT    4    9   36    5    5                                       
CONECT    5    4    4    6   41                                       
CONECT    6    7    7    5   42                                       
CONECT    7    8    6    6   43                                       
CONECT    8    9    9    7   44                                       
CONECT    9    8    8    4   45                                       
CONECT   10   32   32   31   33                                       
CONECT   11   12   12   29   28                                       
CONECT   12   25   30   11   11                                       
CONECT   13   24   14   14   22                                       
CONECT   14   13   13   15   46                                       
CONECT   15   14   19   16   16                                       
CONECT   16   15   15   17   47                                       
CONECT   17   22   22   16   48                                       
CONECT   18   19                                                      
CONECT   19   20   15   18   21                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   13   23   17   17                                       
CONECT   23   22                                                      
CONECT   24   25   13   49                                            
CONECT   25   27   27   26   26                                       
CONECT   25   12   24                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   11   50   51   52                                       
CONECT   29   31   31   11   53                                       
CONECT   30   12   31                                                 
CONECT   31   30   10   29   29                                       
CONECT   32   10   10                                                 
CONECT   33   10    3   54                                            
CONECT   34    2    2                                                 
CONECT   35    1    2                                                 
CONECT   36    3    4   55   56                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   24                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   33                                                      
CONECT   55   36                                                      
CONECT   56   36                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
