COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.543   1.866   1.195  1.00  0.00           O  
HETATM    2  P   UNL     1       5.971   0.379   0.964  1.00  0.00           P  
HETATM    3  O   UNL     1       6.778  -0.305  -0.072  1.00  0.00           O  
HETATM    4  O   UNL     1       6.056  -0.449   2.342  1.00  0.00           O  
HETATM    5  C   UNL     1       4.235   0.473   0.418  1.00  0.00           C  
HETATM    6  P   UNL     1       4.139   1.411  -1.143  1.00  0.00           P  
HETATM    7  O   UNL     1       4.710   2.898  -0.911  1.00  0.00           O  
HETATM    8  O   UNL     1       5.016   0.668  -2.270  1.00  0.00           O  
HETATM    9  O   UNL     1       2.729   1.487  -1.586  1.00  0.00           O  
HETATM   10  N   UNL     1       3.714  -0.880   0.207  1.00  0.00           N  
HETATM   11  C   UNL     1       2.351  -1.087   0.095  1.00  0.00           C  
HETATM   12  N   UNL     1       1.510  -0.070   0.170  1.00  0.00           N  
HETATM   13  C   UNL     1       1.836  -2.395  -0.109  1.00  0.00           C  
HETATM   14  C   UNL     1       2.523  -3.666  -0.233  1.00  0.00           C  
HETATM   15  C   UNL     1       1.734  -4.707  -0.419  1.00  0.00           C  
HETATM   16  S   UNL     1       0.047  -4.230  -0.463  1.00  0.00           S  
HETATM   17  C   UNL     1       0.449  -2.537  -0.216  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.327  -1.452  -0.122  1.00  0.00           N  
HETATM   19  C   UNL     1       0.198  -0.254   0.063  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.703   0.920   0.154  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.082   0.752   0.045  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.174   2.194   0.355  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.015   3.286   0.440  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.382   3.121   0.326  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.919   1.854   0.131  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.304   1.691   0.022  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.890   0.571   0.492  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.230  -0.253   1.095  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.333   0.345   0.273  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.942  -0.814   0.759  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.289  -1.019   0.553  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.039  -0.078  -0.135  1.00  0.00           C  
HETATM   33  F   UNL     1     -10.360  -0.284  -0.334  1.00  0.00           F  
HETATM   34  C   UNL     1      -8.440   1.075  -0.619  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.094   1.293  -0.414  1.00  0.00           C  
HETATM   36  H   UNL     1       7.464   1.892   1.488  1.00  0.00           H  
HETATM   37  H   UNL     1       5.550  -0.059   3.068  1.00  0.00           H  
HETATM   38  H   UNL     1       3.641   0.976   1.181  1.00  0.00           H  
HETATM   39  H   UNL     1       5.632   2.924  -0.619  1.00  0.00           H  
HETATM   40  H   UNL     1       5.011   1.112  -3.129  1.00  0.00           H  
HETATM   41  H   UNL     1       4.326  -1.631   0.147  1.00  0.00           H  
HETATM   42  H   UNL     1       3.598  -3.754  -0.177  1.00  0.00           H  
HETATM   43  H   UNL     1       2.083  -5.722  -0.531  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.497  -0.233  -0.107  1.00  0.00           H  
HETATM   45  H   UNL     1       0.894   2.326   0.444  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.602   4.271   0.597  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.035   3.978   0.393  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.843   2.383  -0.391  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.358  -1.548   1.295  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.761  -1.915   0.928  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.029   1.805  -1.154  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.629   2.193  -0.788  1.00  0.00           H  
CONECT    1    2   36                                                 
CONECT    2    5    3    3    1                                       
CONECT    2    4                                                      
CONECT    3    2    2                                                 
CONECT    4    2   37                                                 
CONECT    5   10    6    2   38                                       
CONECT    6    5    9    9    7                                       
CONECT    6    8                                                      
CONECT    7    6   39                                                 
CONECT    8    6   40                                                 
CONECT    9    6    6                                                 
CONECT   10    5   11   41                                            
CONECT   11   10   13   13   12                                       
CONECT   12   11   19   19                                            
CONECT   13   14   11   11   17                                       
CONECT   14   15   15   13   42                                       
CONECT   15   14   14   16   43                                       
CONECT   16   15   17                                                 
CONECT   17   13   16   18   18                                       
CONECT   18   17   17   19                                            
CONECT   19   12   12   18   20                                       
CONECT   20   19   22   22   21                                       
CONECT   21   20   25   25   44                                       
CONECT   22   20   20   23   45                                       
CONECT   23   22   24   24   46                                       
CONECT   24   23   23   25   47                                       
CONECT   25   21   21   24   26                                       
CONECT   26   25   27   48                                            
CONECT   27   28   28   26   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   35   35   30                                       
CONECT   30   29   31   31   49                                       
CONECT   31   30   30   32   50                                       
CONECT   32   34   34   31   33                                       
CONECT   33   32                                                      
CONECT   34   35   32   32   51                                       
CONECT   35   29   29   34   52                                       
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   30                                                      
CONECT   50   31                                                      
CONECT   51   34                                                      
CONECT   52   35                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
