COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.223   1.676   0.832  1.00  0.00           N  
HETATM    2  N   UNL     1       5.760  -1.050   0.274  1.00  0.00           N  
HETATM    3  C   UNL     1       4.816  -0.141   0.101  1.00  0.00           C  
HETATM    4  C   UNL     1       5.464  -2.283  -0.069  1.00  0.00           C  
HETATM    5  C   UNL     1       3.925   2.249   0.375  1.00  0.00           C  
HETATM    6  CA  UNL     1       1.557   2.761   0.123  1.00  0.00           C  
HETATM    7  C   UNL     1       0.438   2.248  -0.785  1.00  0.00           C  
HETATM    8  CA  UNL     1      -1.970   2.761  -1.198  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.676   0.393  -0.663  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.232  -0.817   1.444  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.835  -2.067   1.878  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.498  -1.324  -0.306  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.294  -3.160   1.238  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.924   3.786  -1.406  1.00  0.00           C  
HETATM   15  C   UNL     1       7.954   4.849   1.695  1.00  0.00           C  
HETATM   16  C   UNL     1       7.805   3.342   1.474  1.00  0.00           C  
HETATM   17  O   UNL     1       6.468   3.051   1.064  1.00  0.00           O  
HETATM   18  C   UNL     1       5.042   1.279   0.454  1.00  0.00           C  
HETATM   19  N   UNL     1       3.672  -0.545  -0.394  1.00  0.00           N  
HETATM   20  S   UNL     1       3.844  -2.216  -0.649  1.00  0.00           S  
HETATM   21  N   UNL     1       6.280  -3.396   0.017  1.00  0.00           N  
HETATM   22  P   UNL     1       5.721  -4.861  -0.465  1.00  0.00           P  
HETATM   23  O   UNL     1       5.317  -4.795  -2.022  1.00  0.00           O  
HETATM   24  O   UNL     1       6.778  -5.879  -0.273  1.00  0.00           O  
HETATM   25  O   UNL     1       4.429  -5.257   0.409  1.00  0.00           O  
HETATM   26  O   UNL     1       4.133   3.432   0.563  1.00  0.00           O  
HETATM   27  N   UNL     1       2.679   1.820   0.095  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.715   3.159  -0.723  1.00  0.00           N  
HETATM   29  C   UNL     1       1.041   2.886   1.534  1.00  0.00           C  
HETATM   30  O   UNL     1       1.558   2.254   2.424  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.360   1.519  -1.473  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.505   0.290  -1.352  1.00  0.00           C  
HETATM   33  S   UNL     1      -0.132   0.617  -0.206  1.00  0.00           S  
HETATM   34  S   UNL     1      -4.018   1.297  -2.025  1.00  0.00           S  
HETATM   35  N   UNL     1      -5.867  -0.118  -0.608  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.192  -0.768   0.502  1.00  0.00           C  
HETATM   37  S   UNL     1      -3.816   0.036   0.832  1.00  0.00           S  
HETATM   38  C   UNL     1      -7.522  -1.393   0.693  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.085  -2.634   2.015  1.00  0.00           C  
HETATM   40  N   UNL     1      -9.980  -2.542   1.049  1.00  0.00           N1+
HETATM   41  C   UNL     1      -9.727  -1.910  -0.082  1.00  0.00           C  
HETATM   42  OXT UNL     1      -2.565   5.081  -1.271  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.068   3.501  -1.708  1.00  0.00           O  
HETATM   44  HA  UNL     1       1.892   3.737  -0.229  1.00  0.00           H  
HETATM   45  H   UNL     1       0.798   2.173  -1.811  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.313  -1.299   2.407  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.108  -2.146   2.672  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.296  -0.813  -1.236  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.973  -2.439   1.694  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.692  -3.471   0.272  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.197  -4.029   1.888  1.00  0.00           H  
HETATM   52  H   UNL     1       7.258   5.174   2.468  1.00  0.00           H  
HETATM   53  H   UNL     1       8.974   5.071   2.008  1.00  0.00           H  
HETATM   54  H   UNL     1       7.736   5.376   0.766  1.00  0.00           H  
HETATM   55  H   UNL     1       8.501   3.018   0.701  1.00  0.00           H  
HETATM   56  H   UNL     1       8.023   2.816   2.404  1.00  0.00           H  
HETATM   57  H   UNL     1       7.182  -3.311   0.363  1.00  0.00           H  
HETATM   58  H   UNL     1       4.627  -4.147  -2.222  1.00  0.00           H  
HETATM   59  H   UNL     1       4.045  -6.114   0.178  1.00  0.00           H  
HETATM   60  H   UNL     1       2.525   0.888  -0.125  1.00  0.00           H  
HETATM   61  H   UNL     1       0.210   3.541   1.749  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.107  -0.535  -0.970  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.107   0.027  -2.332  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.335  -3.160   2.924  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.487  -1.862  -0.847  1.00  0.00           H  
HETATM   66  HXT UNL     1      -3.299   5.704  -1.357  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.604   4.047  -0.349  1.00  0.00           H  
CONECT    1   18   18   17                                            
CONECT    2    3    4    4                                            
CONECT    3   19   19   18    2                                       
CONECT    4   20    2    2   21                                       
CONECT    5   27   26   26   18                                       
CONECT    6   29    7   27   44                                       
CONECT    7   28    6   33   45                                       
CONECT    8   28   14   31   31                                       
CONECT    9   37   34   35   35                                       
CONECT   10   37   36   36   46                                       
CONECT   11   38   39   39   47                                       
CONECT   12   38   38   41   48                                       
CONECT   13   40   49   50   51                                       
CONECT   14   43   43    8   42                                       
CONECT   15   16   52   53   54                                       
CONECT   16   17   15   55   56                                       
CONECT   17    1   16                                                 
CONECT   18    5    3    1    1                                       
CONECT   19   20    3    3                                            
CONECT   20   19    4                                                 
CONECT   21    4   22   57                                            
CONECT   22   24   24   21   25                                       
CONECT   22   23                                                      
CONECT   23   22   58                                                 
CONECT   24   22   22                                                 
CONECT   25   22   59                                                 
CONECT   26    5    5                                                 
CONECT   27    6    5   60                                            
CONECT   28    7    8   67                                            
CONECT   29   30   30    6   61                                       
CONECT   30   29   29                                                 
CONECT   31    8    8   32   34                                       
CONECT   32   33   31   62   63                                       
CONECT   33    7   32                                                 
CONECT   34   31    9                                                 
CONECT   35    9    9   36                                            
CONECT   36   10   10   35   38                                       
CONECT   37   10    9                                                 
CONECT   38   36   12   12   11                                       
CONECT   39   11   11   40   64                                       
CONECT   40   41   41   39   13                                       
CONECT   41   12   40   40   65                                       
CONECT   42   14   66                                                 
CONECT   43   14   14                                                 
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   27                                                      
CONECT   61   29                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   39                                                      
CONECT   65   41                                                      
CONECT   66   42                                                      
CONECT   67   28                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
