COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      13.656  -1.438   0.541  1.00  0.00           C  
HETATM    2  C   UNL     1      12.411  -0.549   0.545  1.00  0.00           C  
HETATM    3  C   UNL     1      11.171  -1.407   0.289  1.00  0.00           C  
HETATM    4  C   UNL     1       9.926  -0.518   0.292  1.00  0.00           C  
HETATM    5  C   UNL     1       8.685  -1.376   0.036  1.00  0.00           C  
HETATM    6  C   UNL     1       7.440  -0.487   0.040  1.00  0.00           C  
HETATM    7  C   UNL     1       6.200  -1.345  -0.216  1.00  0.00           C  
HETATM    8  C   UNL     1       4.955  -0.456  -0.212  1.00  0.00           C  
HETATM    9  C   UNL     1       3.714  -1.314  -0.468  1.00  0.00           C  
HETATM   10  C   UNL     1       2.469  -0.425  -0.464  1.00  0.00           C  
HETATM   11  O   UNL     1       1.311  -1.226  -0.703  1.00  0.00           O  
HETATM   12  C   UNL     1       0.112  -0.586  -0.732  1.00  0.00           C  
HETATM   13  C   UNL     1       0.044   0.787  -0.535  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.059  -1.295  -0.964  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.227  -0.684  -0.995  1.00  0.00           N1+
HETATM   16  C   UNL     1      -3.435  -1.473  -1.243  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.894  -2.129   0.061  1.00  0.00           C  
HETATM   18  P   UNL     1      -4.423  -0.839   1.236  1.00  0.00           P  
HETATM   19  O   UNL     1      -5.543  -0.069   0.651  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.906  -1.529   2.608  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.190   0.151   1.537  1.00  0.00           O  
HETATM   22  P   UNL     1      -5.290  -3.250  -0.281  1.00  0.00           P  
HETATM   23  O   UNL     1      -4.821  -4.393  -1.313  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.777  -3.935   1.093  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.408  -2.480  -0.871  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.338   0.615  -0.807  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.211   1.400  -0.573  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.342   2.863  -0.363  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.209   3.639  -0.130  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.336   5.002   0.065  1.00  0.00           C  
HETATM   31  F   UNL     1       0.762   5.756   0.292  1.00  0.00           F  
HETATM   32  C   UNL     1      -1.587   5.596   0.029  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.716   4.827  -0.202  1.00  0.00           C  
HETATM   34  F   UNL     1      -3.933   5.411  -0.237  1.00  0.00           F  
HETATM   35  C   UNL     1      -2.598   3.465  -0.404  1.00  0.00           C  
HETATM   36  H   UNL     1      13.567  -2.191   1.324  1.00  0.00           H  
HETATM   37  H   UNL     1      13.748  -1.930  -0.427  1.00  0.00           H  
HETATM   38  H   UNL     1      14.540  -0.826   0.723  1.00  0.00           H  
HETATM   39  H   UNL     1      12.319  -0.057   1.513  1.00  0.00           H  
HETATM   40  H   UNL     1      12.500   0.204  -0.239  1.00  0.00           H  
HETATM   41  H   UNL     1      11.263  -1.899  -0.680  1.00  0.00           H  
HETATM   42  H   UNL     1      11.082  -2.160   1.072  1.00  0.00           H  
HETATM   43  H   UNL     1       9.833  -0.026   1.261  1.00  0.00           H  
HETATM   44  H   UNL     1      10.014   0.235  -0.491  1.00  0.00           H  
HETATM   45  H   UNL     1       8.777  -1.868  -0.932  1.00  0.00           H  
HETATM   46  H   UNL     1       8.596  -2.129   0.820  1.00  0.00           H  
HETATM   47  H   UNL     1       7.348   0.005   1.008  1.00  0.00           H  
HETATM   48  H   UNL     1       7.529   0.266  -0.743  1.00  0.00           H  
HETATM   49  H   UNL     1       6.292  -1.837  -1.184  1.00  0.00           H  
HETATM   50  H   UNL     1       6.111  -2.098   0.567  1.00  0.00           H  
HETATM   51  H   UNL     1       4.863   0.036   0.756  1.00  0.00           H  
HETATM   52  H   UNL     1       5.043   0.297  -0.995  1.00  0.00           H  
HETATM   53  H   UNL     1       3.806  -1.806  -1.436  1.00  0.00           H  
HETATM   54  H   UNL     1       3.625  -2.067   0.315  1.00  0.00           H  
HETATM   55  H   UNL     1       2.377   0.067   0.504  1.00  0.00           H  
HETATM   56  H   UNL     1       2.558   0.328  -1.248  1.00  0.00           H  
HETATM   57  H   UNL     1       0.938   1.366  -0.355  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.012  -2.362  -1.123  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.224  -0.821  -1.619  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.220  -2.245  -1.982  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.069  -2.697   0.492  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.202  -0.901   3.281  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.419  -0.287   1.923  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.604  -4.061  -2.195  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.075  -3.304   1.763  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.313   1.077  -0.840  1.00  0.00           H  
HETATM   67  H   UNL     1       0.767   3.177  -0.102  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.682   6.660   0.183  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.478   2.867  -0.589  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    3    1   39   40                                       
CONECT    3    4    2   41   42                                       
CONECT    4    5    3   43   44                                       
CONECT    5    6    4   45   46                                       
CONECT    6    7    5   47   48                                       
CONECT    7    6    8   49   50                                       
CONECT    8    9    7   51   52                                       
CONECT    9   10    8   53   54                                       
CONECT   10    9   11   55   56                                       
CONECT   11   10   12                                                 
CONECT   12   14   11   13   13                                       
CONECT   13   12   12   27   57                                       
CONECT   14   15   15   12   58                                       
CONECT   15   16   14   14   26                                       
CONECT   16   17   15   59   60                                       
CONECT   17   18   22   16   61                                       
CONECT   18   19   19   20   21                                       
CONECT   18   17                                                      
CONECT   19   18   18                                                 
CONECT   20   18   62                                                 
CONECT   21   18   63                                                 
CONECT   22   25   25   23   17                                       
CONECT   22   24                                                      
CONECT   23   22   64                                                 
CONECT   24   22   65                                                 
CONECT   25   22   22                                                 
CONECT   26   15   27   27   66                                       
CONECT   27   26   26   13   28                                       
CONECT   28   27   29   29   35                                       
CONECT   29   28   28   30   67                                       
CONECT   30   29   31   32   32                                       
CONECT   31   30                                                      
CONECT   32   30   30   33   68                                       
CONECT   33   35   35   32   34                                       
CONECT   34   33                                                      
CONECT   35   28   33   33   69                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   29                                                      
CONECT   68   32                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
