COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.635   0.287  -0.130  1.00  0.00           C  
HETATM    2  C   UNL     1       2.961  -1.061  -0.110  1.00  0.00           C  
HETATM    3  C   UNL     1       1.550  -1.154  -0.121  1.00  0.00           C  
HETATM    4  C   UNL     1       0.752   0.010  -0.146  1.00  0.00           C  
HETATM    5  CA  UNL     1      -1.318   0.991  -0.184  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.711   0.987  -0.760  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.717   0.654   0.343  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.130   0.723  -0.190  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.666  -0.550  -0.045  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.559  -0.785   0.788  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.976  -0.781  -0.460  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.721   0.244  -1.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.176   1.507  -1.145  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.875   1.744  -0.736  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.831   2.130   0.457  1.00  0.00           C  
HETATM   16  C   UNL     1       0.954  -2.440  -0.108  1.00  0.00           C  
HETATM   17  C   UNL     1       1.752  -3.539  -0.085  1.00  0.00           C  
HETATM   18  C   UNL     1       1.131  -4.912  -0.071  1.00  0.00           C  
HETATM   19  C   UNL     1       3.700  -2.194  -0.087  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.554  -0.090  -0.288  1.00  0.00           N1+
HETATM   21  N   UNL     1      -4.725  -1.407   0.528  1.00  0.00           N  
HETATM   22  N   UNL     1       3.104  -3.411  -0.075  1.00  0.00           N  
HETATM   23  O   UNL     1       5.951   2.142  -1.527  1.00  0.00           O  
HETATM   24  O   UNL     1       5.789   2.255   0.990  1.00  0.00           O  
HETATM   25  O   UNL     1       5.052   0.111  -0.120  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.556   1.541   1.451  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.571  -1.285   1.282  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.118   2.019   1.440  1.00  0.00           O  
HETATM   29  OXT UNL     1      -1.150   3.359  -0.011  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.399  -2.572  -0.117  1.00  0.00           O1-
HETATM   31  O   UNL     1       7.591   0.782   0.013  1.00  0.00           O  
HETATM   32  P   UNL     1       6.089   1.342  -0.137  1.00  0.00           P  
HETATM   33  H   UNL     1       3.342   0.826  -1.031  1.00  0.00           H  
HETATM   34  H   UNL     1       3.333   0.857   0.749  1.00  0.00           H  
HETATM   35  H   UNL     1       1.211   0.982  -0.047  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.936   1.971  -1.172  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.776   0.239  -1.550  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.409  -1.765  -0.354  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.736   0.058  -1.326  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.763   2.306  -1.573  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.446   2.730  -0.843  1.00  0.00           H  
HETATM   42  H   UNL     1       0.991  -5.258  -1.095  1.00  0.00           H  
HETATM   43  H   UNL     1       1.788  -5.602   0.459  1.00  0.00           H  
HETATM   44  H   UNL     1       0.166  -4.869   0.434  1.00  0.00           H  
HETATM   45  H   UNL     1       4.778  -2.128  -0.083  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.893  -2.343   0.718  1.00  0.00           H  
HETATM   47  H   UNL     1       6.134   1.605  -2.310  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.169   1.375   2.180  1.00  0.00           H  
HETATM   49  HXT UNL     1      -0.767   4.085   0.498  1.00  0.00           H  
HETATM   50  H   UNL     1       8.270   1.470   0.011  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.957  -0.954  -0.469  1.00  0.00           H  
HETATM   52  H   UNL     1       3.655  -4.209  -0.058  1.00  0.00           H  
CONECT    1    2   25   33   34                                       
CONECT    2    3   19   19    1                                       
CONECT    3   16    4    4    2                                       
CONECT    4   20    3    3   35                                       
CONECT    5   15   20   20    6                                       
CONECT    6    5    7   36   37                                       
CONECT    7   10    6   26    8                                       
CONECT    8    7    9    9   14                                       
CONECT    9   21    8    8   11                                       
CONECT   10   27   27   21    7                                       
CONECT   11    9   12   12   38                                       
CONECT   12   11   11   13   39                                       
CONECT   13   14   14   12   40                                       
CONECT   14    8   13   13   41                                       
CONECT   15   28   28   29    5                                       
CONECT   16   30   17   17    3                                       
CONECT   17   18   16   16   22                                       
CONECT   18   17   42   43   44                                       
CONECT   19   22    2    2   45                                       
CONECT   20    5    5    4   51                                       
CONECT   21   10    9   46                                            
CONECT   22   17   19   52                                            
CONECT   23   32   47                                                 
CONECT   24   32   32                                                 
CONECT   25    1   32                                                 
CONECT   26    7   48                                                 
CONECT   27   10   10                                                 
CONECT   28   15   15                                                 
CONECT   29   15   49                                                 
CONECT   30   16                                                      
CONECT   31   32   50                                                 
CONECT   32   25   24   24   23                                       
CONECT   32   31                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   26                                                      
CONECT   49   29                                                      
CONECT   50   31                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
