COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.829   2.107   0.068  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.388   1.582   1.191  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.133   1.738   2.329  1.00  0.00           N  
HETATM    4  N   UNL     1      -6.221   0.889   1.264  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.446   0.710   0.148  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.873   1.248  -1.060  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.140   1.986  -1.077  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.561   2.478  -2.113  1.00  0.00           O  
HETATM    9  N   UNL     1      -4.945   0.936  -1.993  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.991   0.249  -1.434  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.263   0.086  -0.107  1.00  0.00           N  
HETATM   12  P   UNL     1       2.215  -1.608  -0.419  1.00  0.00           P  
HETATM   13  P   UNL     1       4.793  -0.210   0.005  1.00  0.00           P  
HETATM   14  P   UNL     1       6.318   2.272   0.554  1.00  0.00           P  
HETATM   15  C   UNL     1      -3.434  -0.628   0.866  1.00  0.00           C  
HETATM   16  S   UNL     1       2.019  -1.172  -2.485  1.00  0.00           S  
HETATM   17  O   UNL     1       5.044  -0.086  -1.448  1.00  0.00           O  
HETATM   18  O   UNL     1       5.903   3.634   1.307  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.928  -2.081   1.010  1.00  0.00           C  
HETATM   20  O   UNL     1       2.726  -2.987  -0.253  1.00  0.00           O  
HETATM   21  O   UNL     1       5.719  -1.379   0.611  1.00  0.00           O  
HETATM   22  O   UNL     1       7.681   1.701   1.191  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.698  -2.940   0.632  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.575  -4.066   1.504  1.00  0.00           O  
HETATM   25  O   UNL     1       3.244  -0.569   0.254  1.00  0.00           O  
HETATM   26  O   UNL     1       5.145   1.183   0.731  1.00  0.00           O  
HETATM   27  O   UNL     1       6.523   2.547  -0.885  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.529  -1.945   0.846  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.074  -0.684   0.402  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.322  -2.341  -0.007  1.00  0.00           C  
HETATM   31  O   UNL     1       0.778  -1.479   0.295  1.00  0.00           O  
HETATM   32  H   UNL     1      -8.969   2.229   2.297  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.825   1.358   3.166  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.934   0.518   2.114  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.118  -0.134  -1.942  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.477  -0.124   1.832  1.00  0.00           H  
HETATM   37  H   UNL     1       1.554   0.090  -2.485  1.00  0.00           H  
HETATM   38  H   UNL     1       6.565   4.336   1.242  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.232  -2.280   2.038  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.753  -2.273   0.324  1.00  0.00           H  
HETATM   41  H   UNL     1       5.607  -1.517   1.562  1.00  0.00           H  
HETATM   42  H   UNL     1       7.620   1.498   2.135  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.751  -3.260  -0.408  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.328  -4.672   1.472  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.253  -1.897   1.900  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.045  -3.372   0.211  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.577  -2.248  -1.062  1.00  0.00           H  
CONECT    1    2    2    7                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   32   33                                            
CONECT    4    2    5   34                                            
CONECT    5    4    6    6   11                                       
CONECT    6    5    5    7    9                                       
CONECT    7    1    6    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    6   10   10                                            
CONECT   10    9    9   11   35                                       
CONECT   11    5   10   15                                            
CONECT   12   16   31   20   20                                       
CONECT   12   25                                                      
CONECT   13   26   25   17   17                                       
CONECT   13   21                                                      
CONECT   14   27   27   26   18                                       
CONECT   14   22                                                      
CONECT   15   11   29   19   36                                       
CONECT   16   12   37                                                 
CONECT   17   13   13                                                 
CONECT   18   14   38                                                 
CONECT   19   15   23   39   40                                       
CONECT   20   12   12                                                 
CONECT   21   13   41                                                 
CONECT   22   14   42                                                 
CONECT   23   19   28   24   43                                       
CONECT   24   23   44                                                 
CONECT   25   12   13                                                 
CONECT   26   13   14                                                 
CONECT   27   14   14                                                 
CONECT   28   23   29   30   45                                       
CONECT   29   15   28                                                 
CONECT   30   28   31   46   47                                       
CONECT   31   12   30                                                 
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35   10                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   28                                                      
CONECT   46   30                                                      
CONECT   47   30                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
