COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -0.033  -0.073   0.421  1.00  0.00           P  
HETATM    2  O   UNL     1      -0.222  -0.610   1.927  1.00  0.00           O  
HETATM    3  O   UNL     1       1.445   0.539   0.251  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.037   0.977   0.142  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.257  -1.453  -0.748  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.080  -0.950  -2.158  1.00  0.00           C  
HETATM    7  C   UNL     1       1.173  -0.962  -2.742  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.172  -0.483  -2.866  1.00  0.00           C  
HETATM    9  C   UNL     1       1.338  -0.502  -4.034  1.00  0.00           C  
HETATM   10  C   UNL     1       0.245  -0.028  -4.746  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.012  -0.017  -4.157  1.00  0.00           C  
HETATM   12  N   UNL     1       0.409   0.437  -6.055  1.00  0.00           N  
HETATM   13  C   UNL     1       1.332  -0.125  -6.860  1.00  0.00           C  
HETATM   14  O   UNL     1       1.950  -1.099  -6.486  1.00  0.00           O  
HETATM   15  C   UNL     1       1.595   0.455  -8.226  1.00  0.00           C  
HETATM   16  F   UNL     1       2.586  -0.294  -8.868  1.00  0.00           F  
HETATM   17  F   UNL     1       0.419   0.418  -8.983  1.00  0.00           F  
HETATM   18  F   UNL     1       2.025   1.780  -8.095  1.00  0.00           F  
HETATM   19  C   UNL     1      -0.036   0.511   2.792  1.00  0.00           C  
HETATM   20  CA  UNL     1      -1.308   0.741   3.610  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.109   1.942   4.536  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.014   1.686   5.419  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.433   1.004   2.702  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.038  -0.297   2.391  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.057  -0.590   3.348  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.651  -0.253   0.990  1.00  0.00           C  
HETATM   27 CL   UNL     1      -4.393  -1.851   0.608  1.00  0.00          Cl  
HETATM   28 CL   UNL     1      -4.918   1.028   0.929  1.00  0.00          Cl  
HETATM   29  C   UNL     1       1.117   0.241   3.723  1.00  0.00           C  
HETATM   30  C   UNL     1       1.403  -1.059   4.105  1.00  0.00           C  
HETATM   31  C   UNL     1       1.888   1.295   4.186  1.00  0.00           C  
HETATM   32  C   UNL     1       2.455  -1.317   4.955  1.00  0.00           C  
HETATM   33  C   UNL     1       3.240  -0.255   5.436  1.00  0.00           C  
HETATM   34  C   UNL     1       2.941   1.060   5.042  1.00  0.00           C  
HETATM   35  N   UNL     1       4.269  -0.495   6.267  1.00  0.00           N1+
HETATM   36  O   UNL     1       4.946   0.427   6.681  1.00  0.00           O  
HETATM   37  O   UNL     1       4.524  -1.637   6.606  1.00  0.00           O1-
HETATM   38  H   UNL     1       2.068  -0.176   0.441  1.00  0.00           H  
HETATM   39  H   UNL     1       0.482  -2.227  -0.543  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.258  -1.868  -0.634  1.00  0.00           H  
HETATM   41  H   UNL     1       2.023  -1.330  -2.188  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.149  -0.476  -2.407  1.00  0.00           H  
HETATM   43  H   UNL     1       2.318  -0.511  -4.490  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.864   0.350  -4.708  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.140   1.166  -6.384  1.00  0.00           H  
HETATM   46  H   UNL     1       0.177   1.398   2.196  1.00  0.00           H  
HETATM   47  HA  UNL     1      -1.522  -0.145   4.206  1.00  0.00           H  
HETATM   48  H1  UNL     1      -2.015   2.106   5.119  1.00  0.00           H  
HETATM   49  H2  UNL     1      -0.894   2.829   3.940  1.00  0.00           H  
HETATM   50  H   UNL     1       0.076   2.466   5.984  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.118   1.523   3.232  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.272  -1.072   2.428  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.713   0.117   3.283  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.873  -0.029   0.260  1.00  0.00           H  
HETATM   55  H   UNL     1       0.798  -1.874   3.734  1.00  0.00           H  
HETATM   56  H   UNL     1       1.657   2.305   3.882  1.00  0.00           H  
HETATM   57  H   UNL     1       2.676  -2.331   5.252  1.00  0.00           H  
HETATM   58  H   UNL     1       3.538   1.884   5.406  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    1    5                                                      
CONECT    2    1   19                                                 
CONECT    3    1   38                                                 
CONECT    4    1    1                                                 
CONECT    5    1    6   39   40                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   41                                       
CONECT    8    6   11   11   42                                       
CONECT    9    7   10   10   43                                       
CONECT   10    9    9   11   12                                       
CONECT   11    8    8   10   44                                       
CONECT   12   10   13   45                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   17   18                                       
CONECT   16   15                                                      
CONECT   17   15                                                      
CONECT   18   15                                                      
CONECT   19    2   20   29   46                                       
CONECT   20   19   21   23   47                                       
CONECT   21   20   22   48   49                                       
CONECT   22   21   50                                                 
CONECT   23   20   24   51                                            
CONECT   24   23   25   26   52                                       
CONECT   25   24   53                                                 
CONECT   26   24   27   28   54                                       
CONECT   27   26                                                      
CONECT   28   26                                                      
CONECT   29   19   30   30   31                                       
CONECT   30   29   29   32   55                                       
CONECT   31   29   34   34   56                                       
CONECT   32   30   33   33   57                                       
CONECT   33   32   32   34   35                                       
CONECT   34   31   31   33   58                                       
CONECT   35   33   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   34                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
