COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.879   5.058  -2.815  1.00  0.00           C  
HETATM    2  C   UNL     1       2.884   4.131  -1.627  1.00  0.00           C  
HETATM    3  N   UNL     1       3.416   2.932  -1.753  1.00  0.00           N  
HETATM    4  C   UNL     1       3.442   2.086  -0.732  1.00  0.00           C  
HETATM    5  C   UNL     1       2.901   2.473   0.478  1.00  0.00           C  
HETATM    6  C   UNL     1       2.910   1.541   1.662  1.00  0.00           C  
HETATM    7  N   UNL     1       1.995   0.425   1.412  1.00  0.00           N1+
HETATM    8  C   UNL     1       2.407  -0.685   0.865  1.00  0.00           C  
HETATM    9  C   UNL     1       3.787  -0.964   0.434  1.00  0.00           C  
HETATM   10  O   UNL     1       4.786  -0.094   0.743  1.00  0.00           O  
HETATM   11  C   UNL     1       4.059  -2.072  -0.262  1.00  0.00           C  
HETATM   12  F   UNL     1       3.052  -2.867  -0.687  1.00  0.00           F  
HETATM   13  P   UNL     1       5.779  -2.510  -0.635  1.00  0.00           P  
HETATM   14  O   UNL     1       6.073  -4.010  -0.127  1.00  0.00           O  
HETATM   15  O   UNL     1       6.022  -2.425  -2.224  1.00  0.00           O  
HETATM   16  O   UNL     1       6.689  -1.569   0.054  1.00  0.00           O  
HETATM   17  S   UNL     1       1.048  -1.797   0.726  1.00  0.00           S  
HETATM   18  C   UNL     1      -0.008  -0.591   1.461  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.480  -0.755   1.734  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.281  -0.279   0.520  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.677  -0.435   0.779  1.00  0.00           O  
HETATM   22  P   UNL     1      -4.817  -0.032  -0.285  1.00  0.00           P  
HETATM   23  O   UNL     1      -4.788   1.559  -0.526  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.260  -0.463   0.286  1.00  0.00           O  
HETATM   25  P   UNL     1      -7.697  -0.724  -0.390  1.00  0.00           P  
HETATM   26  O   UNL     1      -7.939   0.289  -1.442  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.722  -2.195  -1.046  1.00  0.00           O  
HETATM   28  O   UNL     1      -8.846  -0.618   0.733  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.565  -0.730  -1.565  1.00  0.00           O  
HETATM   30  C   UNL     1       0.723   0.495   1.734  1.00  0.00           C  
HETATM   31  C   UNL     1       0.127   1.719   2.377  1.00  0.00           C  
HETATM   32  C   UNL     1       2.345   3.750   0.577  1.00  0.00           C  
HETATM   33  N   UNL     1       1.790   4.186   1.769  1.00  0.00           N  
HETATM   34  N   UNL     1       2.362   4.544  -0.490  1.00  0.00           N  
HETATM   35  H   UNL     1       1.965   4.907  -3.390  1.00  0.00           H  
HETATM   36  H   UNL     1       2.924   6.091  -2.471  1.00  0.00           H  
HETATM   37  H   UNL     1       3.743   4.846  -3.445  1.00  0.00           H  
HETATM   38  H   UNL     1       3.880   1.105  -0.846  1.00  0.00           H  
HETATM   39  H   UNL     1       3.919   1.157   1.814  1.00  0.00           H  
HETATM   40  H   UNL     1       2.589   2.082   2.553  1.00  0.00           H  
HETATM   41  H   UNL     1       5.176  -0.236   1.617  1.00  0.00           H  
HETATM   42  H   UNL     1       6.977  -4.311  -0.294  1.00  0.00           H  
HETATM   43  H   UNL     1       5.458  -3.017  -2.740  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.700  -1.806   1.924  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.756  -0.163   2.606  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.062   0.772   0.330  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.005  -0.871  -0.352  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.946   2.081   0.273  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.570  -2.910  -0.413  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.740  -0.764   0.395  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.100   2.459   1.610  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.790   1.446   2.900  1.00  0.00           H  
HETATM   53  H   UNL     1       0.838   2.140   3.088  1.00  0.00           H  
HETATM   54  H   UNL     1       1.993   3.722   2.596  1.00  0.00           H  
HETATM   55  H   UNL     1       1.199   4.955   1.776  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2   34   34    3    1                                       
CONECT    3    4    4    2                                            
CONECT    4    5    3    3   38                                       
CONECT    5    6   32   32    4                                       
CONECT    6    7    5   39   40                                       
CONECT    7    8    8   30    6                                       
CONECT    8   17    9    7    7                                       
CONECT    9   11   11   10    8                                       
CONECT   10    9   41                                                 
CONECT   11   13   12    9    9                                       
CONECT   12   11                                                      
CONECT   13   16   16   15   11                                       
CONECT   13   14                                                      
CONECT   14   13   42                                                 
CONECT   15   13   43                                                 
CONECT   16   13   13                                                 
CONECT   17    8   18                                                 
CONECT   18   17   19   30   30                                       
CONECT   19   18   20   44   45                                       
CONECT   20   19   21   46   47                                       
CONECT   21   20   22                                                 
CONECT   22   24   29   29   23                                       
CONECT   22   21                                                      
CONECT   23   22   48                                                 
CONECT   24   25   22                                                 
CONECT   25   26   26   27   28                                       
CONECT   25   24                                                      
CONECT   26   25   25                                                 
CONECT   27   25   49                                                 
CONECT   28   25   50                                                 
CONECT   29   22   22                                                 
CONECT   30   18   18    7   31                                       
CONECT   31   30   51   52   53                                       
CONECT   32   33    5    5   34                                       
CONECT   33   32   54   55                                            
CONECT   34   32    2    2                                            
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41   10                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   23                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
