COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       1.700  -4.695  -0.429  1.00  0.00           P  
HETATM    2 MO   UNL     1      -3.457   0.588  -0.420  1.00  0.00          Mo  
HETATM    3  N   UNL     1       4.876   2.093   0.676  1.00  0.00           N  
HETATM    4  O   UNL     1      -4.416  -0.602  -1.249  1.00  0.00           O  
HETATM    5  C   UNL     1       5.329   2.703  -0.400  1.00  0.00           C  
HETATM    6  N   UNL     1       6.673   2.969  -0.508  1.00  0.00           N  
HETATM    7  O   UNL     1      -2.652   1.275  -2.114  1.00  0.00           O  
HETATM    8  N   UNL     1       4.491   3.076  -1.408  1.00  0.00           N  
HETATM    9  S   UNL     1      -5.182   1.548   0.410  1.00  0.00           S  
HETATM   10  C   UNL     1       3.163   2.859  -1.300  1.00  0.00           C  
HETATM   11  O   UNL     1       2.402   3.216  -2.183  1.00  0.00           O  
HETATM   12  N   UNL     1       1.296   1.982   0.009  1.00  0.00           N  
HETATM   13  C   UNL     1       0.798   1.585   1.333  1.00  0.00           C  
HETATM   14  C   UNL     1       1.762   0.570   1.940  1.00  0.00           C  
HETATM   15  N   UNL     1       3.124   1.112   1.925  1.00  0.00           N  
HETATM   16  C   UNL     1       2.677   2.214  -0.160  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.573   0.917   1.122  1.00  0.00           C  
HETATM   18  S   UNL     1      -1.988   1.939   0.907  1.00  0.00           S  
HETATM   19  C   UNL     1       3.576   1.808   0.817  1.00  0.00           C  
HETATM   20  O   UNL     1       2.122  -4.242  -1.916  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.708  -0.384   1.101  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.303  -1.084   0.850  1.00  0.00           S  
HETATM   23  O   UNL     1       0.448  -5.483  -0.490  1.00  0.00           O  
HETATM   24  C   UNL     1       0.490  -1.331   1.290  1.00  0.00           C  
HETATM   25  O   UNL     1       1.710  -0.617   1.145  1.00  0.00           O  
HETATM   26  O   UNL     1       2.871  -5.597   0.209  1.00  0.00           O  
HETATM   27  C   UNL     1       0.426  -2.444   0.241  1.00  0.00           C  
HETATM   28  O   UNL     1       1.469  -3.390   0.484  1.00  0.00           O  
HETATM   29  H   UNL     1       7.278   2.708   0.204  1.00  0.00           H  
HETATM   30  H   UNL     1       7.016   3.418  -1.296  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.017   0.873  -2.914  1.00  0.00           H  
HETATM   32  H   UNL     1       4.852   3.496  -2.204  1.00  0.00           H  
HETATM   33  H   UNL     1       0.684   2.103  -0.731  1.00  0.00           H  
HETATM   34  H   UNL     1       0.699   2.451   1.977  1.00  0.00           H  
HETATM   35  H   UNL     1       1.467   0.342   2.963  1.00  0.00           H  
HETATM   36  H   UNL     1       3.707   0.983   2.690  1.00  0.00           H  
HETATM   37  H   UNL     1       2.935  -3.720  -1.952  1.00  0.00           H  
HETATM   38  H   UNL     1       0.446  -1.774   2.286  1.00  0.00           H  
HETATM   39  H   UNL     1       3.064  -6.402  -0.290  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.540  -2.945   0.301  1.00  0.00           H  
HETATM   41  H   UNL     1       0.551  -2.013  -0.753  1.00  0.00           H  
CONECT    1   23   23   26   20                                       
CONECT    1   28                                                      
CONECT    2   22    4    4   18                                       
CONECT    2    9    9    7                                            
CONECT    3   19    5    5                                            
CONECT    4    2    2                                                 
CONECT    5    3    3    6    8                                       
CONECT    6    5   29   30                                            
CONECT    7    2   31                                                 
CONECT    8    5   10   32                                            
CONECT    9    2    2                                                 
CONECT   10    8   16   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13   16   33                                            
CONECT   13   12   14   17   34                                       
CONECT   14   13   15   25   35                                       
CONECT   15   14   19   36                                            
CONECT   16   10   12   19   19                                       
CONECT   17   13   21   21   18                                       
CONECT   18    2   17                                                 
CONECT   19    3   15   16   16                                       
CONECT   20    1   37                                                 
CONECT   21   17   17   24   22                                       
CONECT   22    2   21                                                 
CONECT   23    1    1                                                 
CONECT   24   21   25   27   38                                       
CONECT   25   14   24                                                 
CONECT   26    1   39                                                 
CONECT   27   24   28   40   41                                       
CONECT   28    1   27                                                 
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   20                                                      
CONECT   38   24                                                      
CONECT   39   26                                                      
CONECT   40   27                                                      
CONECT   41   27                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
