COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.731   1.208  -0.254  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.960   0.618  -0.120  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.448   0.082  -1.287  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.127  -1.449  -0.005  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.129  -2.577   0.058  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.711  -2.853   0.170  1.00  0.00           C  
HETATM    7  C   UNL     1       1.731  -3.136   0.283  1.00  0.00           C  
HETATM    8  C   UNL     1       5.146  -2.249   0.423  1.00  0.00           C  
HETATM    9  C   UNL     1       5.167   0.240   0.373  1.00  0.00           C  
HETATM   10  C   UNL     1       5.297   0.775   1.816  1.00  0.00           C  
HETATM   11  F   UNL     1     -11.340   0.109   2.017  1.00  0.00           F  
HETATM   12  C   UNL     1     -10.674   0.370   0.871  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.413   0.942   0.918  1.00  0.00           C  
HETATM   14  S   UNL     1      -7.127   1.935  -0.194  1.00  0.00           S  
HETATM   15  O   UNL     1      -6.930   2.577  -1.446  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.532  -0.952  -1.230  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.648  -0.922   1.162  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.560   0.116   1.104  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.773  -2.026   0.109  1.00  0.00           N  
HETATM   20  C   UNL     1       0.655  -2.298   0.222  1.00  0.00           C  
HETATM   21  N   UNL     1       2.994  -2.635   0.331  1.00  0.00           N  
HETATM   22  C   UNL     1       4.224  -3.235   0.400  1.00  0.00           C  
HETATM   23  N   UNL     1       4.516  -1.073   0.369  1.00  0.00           N1+
HETATM   24  O   UNL     1       4.245   1.698   2.105  1.00  0.00           O  
HETATM   25  C   UNL     1       6.665   1.492   1.829  1.00  0.00           C  
HETATM   26  O   UNL     1       6.500   2.880   2.126  1.00  0.00           O  
HETATM   27  C   UNL     1       7.200   1.305   0.392  1.00  0.00           C  
HETATM   28  C   UNL     1       8.714   1.083   0.412  1.00  0.00           C  
HETATM   29  O   UNL     1       9.205   1.029  -0.929  1.00  0.00           O  
HETATM   30  P   UNL     1      10.759   0.806  -1.285  1.00  0.00           P  
HETATM   31  O   UNL     1      10.930   0.669  -2.880  1.00  0.00           O  
HETATM   32  O   UNL     1      11.616   2.064  -0.759  1.00  0.00           O  
HETATM   33  O   UNL     1      11.243  -0.429  -0.629  1.00  0.00           O  
HETATM   34  O   UNL     1       6.526   0.128  -0.103  1.00  0.00           O  
HETATM   35  C   UNL     1       3.209  -1.280   0.313  1.00  0.00           C  
HETATM   36  C   UNL     1       2.112  -0.395   0.244  1.00  0.00           C  
HETATM   37  C   UNL     1       0.851  -0.894   0.208  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.879  -4.058   0.182  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.042   2.616   1.051  1.00  0.00           O  
HETATM   40  C   UNL     1      -9.303   0.899  -1.474  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.562   0.323  -1.522  1.00  0.00           C  
HETATM   42  F   UNL     1     -11.121   0.021  -2.714  1.00  0.00           F  
HETATM   43  C   UNL     1     -11.246   0.056  -0.349  1.00  0.00           C  
HETATM   44  H   UNL     1      -5.764   0.470  -2.244  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.312  -3.175   0.950  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.233  -3.204  -0.827  1.00  0.00           H  
HETATM   47  H   UNL     1       1.578  -4.205   0.298  1.00  0.00           H  
HETATM   48  H   UNL     1       6.216  -2.389   0.475  1.00  0.00           H  
HETATM   49  H   UNL     1       4.606   0.942  -0.243  1.00  0.00           H  
HETATM   50  H   UNL     1       5.290  -0.049   2.531  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.964   1.180   1.870  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.133  -1.371  -2.141  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.332  -1.310   2.118  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.959   0.535   2.016  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.639  -1.065   0.100  1.00  0.00           H  
HETATM   56  H   UNL     1       4.419  -4.297   0.431  1.00  0.00           H  
HETATM   57  H   UNL     1       4.278   2.065   2.999  1.00  0.00           H  
HETATM   58  H   UNL     1       7.335   1.023   2.550  1.00  0.00           H  
HETATM   59  H   UNL     1       6.111   3.053   2.994  1.00  0.00           H  
HETATM   60  H   UNL     1       6.953   2.172  -0.220  1.00  0.00           H  
HETATM   61  H   UNL     1       9.195   1.905   0.943  1.00  0.00           H  
HETATM   62  H   UNL     1       8.937   0.144   0.919  1.00  0.00           H  
HETATM   63  H   UNL     1      11.843   0.533  -3.167  1.00  0.00           H  
HETATM   64  H   UNL     1      11.353   2.909  -1.148  1.00  0.00           H  
HETATM   65  H   UNL     1       2.274   0.673   0.230  1.00  0.00           H  
HETATM   66  H   UNL     1       0.003  -0.227   0.159  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.769   1.107  -2.389  1.00  0.00           H  
HETATM   68  H   UNL     1     -12.227  -0.394  -0.386  1.00  0.00           H  
CONECT    1   40   13   13   14                                       
CONECT    2   14   18   18    3                                       
CONECT    3    2   16   16   44                                       
CONECT    4   17   17   16    5                                       
CONECT    5    4   19   45   46                                       
CONECT    6   38   38   19   20                                       
CONECT    7   20   20   21   47                                       
CONECT    8   22   22   23   48                                       
CONECT    9   23   10   34   49                                       
CONECT   10   24    9   25   50                                       
CONECT   11   12                                                      
CONECT   12   43   43   13   11                                       
CONECT   13    1    1   12   51                                       
CONECT   14   39   39    1   15                                       
CONECT   14   15    2                                                 
CONECT   15   14   14                                                 
CONECT   16    3    3    4   52                                       
CONECT   17   18    4    4   53                                       
CONECT   18    2    2   17   54                                       
CONECT   19    5    6   55                                            
CONECT   20    6   37    7    7                                       
CONECT   21    7   35   22                                            
CONECT   22   21    8    8   56                                       
CONECT   23   35   35    9    8                                       
CONECT   24   10   57                                                 
CONECT   25   10   26   27   58                                       
CONECT   26   25   59                                                 
CONECT   27   25   34   28   60                                       
CONECT   28   27   29   61   62                                       
CONECT   29   28   30                                                 
CONECT   30   29   33   33   32                                       
CONECT   30   31                                                      
CONECT   31   30   63                                                 
CONECT   32   30   64                                                 
CONECT   33   30   30                                                 
CONECT   34    9   27                                                 
CONECT   35   36   21   23   23                                       
CONECT   36   37   37   35   65                                       
CONECT   37   20   36   36   66                                       
CONECT   38    6    6                                                 
CONECT   39   14   14                                                 
CONECT   40   41   41    1   67                                       
CONECT   41   42   40   40   43                                       
CONECT   42   41                                                      
CONECT   43   41   12   12   68                                       
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   40                                                      
CONECT   68   43                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
