COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.640   1.925   1.411  1.00  0.00           C  
HETATM    2  N   UNL     1       1.370  -0.860  -0.733  1.00  0.00           N1+
HETATM    3  C   UNL     1       1.362  -2.067  -0.278  1.00  0.00           C  
HETATM    4  S   UNL     1       0.015  -2.302   0.748  1.00  0.00           S  
HETATM    5  C   UNL     1      -0.491  -0.635   0.480  1.00  0.00           C  
HETATM    6  C   UNL     1       0.392  -0.066  -0.347  1.00  0.00           C  
HETATM    7  C   UNL     1       0.278   1.367  -0.800  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.704   0.030   1.077  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.903  -0.166   0.147  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.053   0.465   0.712  1.00  0.00           O  
HETATM   11  N   UNL     1       4.613   2.090   0.071  1.00  0.00           N  
HETATM   12  C   UNL     1       5.526   1.307   0.606  1.00  0.00           C  
HETATM   13  N   UNL     1       5.493  -0.002   0.458  1.00  0.00           N  
HETATM   14  C   UNL     1       4.525  -0.581  -0.247  1.00  0.00           C  
HETATM   15  N   UNL     1       4.494  -1.957  -0.401  1.00  0.00           N  
HETATM   16  C   UNL     1       3.541   0.221  -0.828  1.00  0.00           C  
HETATM   17  C   UNL     1       3.616   1.588  -0.645  1.00  0.00           C  
HETATM   18  C   UNL     1       2.424  -0.390  -1.635  1.00  0.00           C  
HETATM   19  P   UNL     1      -5.497   0.457   0.000  1.00  0.00           P  
HETATM   20  O   UNL     1      -5.901  -0.938  -0.281  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.580   1.143   0.974  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.418   1.282  -1.380  1.00  0.00           O  
HETATM   23  H   UNL     1       6.339   1.992   2.457  1.00  0.00           H  
HETATM   24  H   UNL     1       7.534   1.306   1.330  1.00  0.00           H  
HETATM   25  H   UNL     1       6.853   2.923   1.030  1.00  0.00           H  
HETATM   26  H   UNL     1       2.100  -2.820  -0.512  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.392   1.425  -1.658  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.121   1.974   0.013  1.00  0.00           H  
HETATM   29  H   UNL     1       1.263   1.739  -1.082  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.921  -0.414   2.048  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.510   1.096   1.200  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.685   0.278  -0.825  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.096  -1.232   0.023  1.00  0.00           H  
HETATM   34  H   UNL     1       5.181  -2.507   0.007  1.00  0.00           H  
HETATM   35  H   UNL     1       3.784  -2.371  -0.916  1.00  0.00           H  
HETATM   36  H   UNL     1       2.872   2.239  -1.080  1.00  0.00           H  
HETATM   37  H   UNL     1       2.810  -1.230  -2.212  1.00  0.00           H  
HETATM   38  H   UNL     1       2.015   0.359  -2.314  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.474   1.173   0.609  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.159   2.207  -1.272  1.00  0.00           H  
CONECT    1   12   23   24   25                                       
CONECT    2    3    3    6   18                                       
CONECT    3    2    2    4   26                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6    8                                       
CONECT    6    2    5    5    7                                       
CONECT    7    6   27   28   29                                       
CONECT    8    5    9   30   31                                       
CONECT    9    8   10   32   33                                       
CONECT   10    9   19                                                 
CONECT   11   12   12   17                                            
CONECT   12    1   11   11   13                                       
CONECT   13   12   14   14                                            
CONECT   14   13   13   15   16                                       
CONECT   15   14   34   35                                            
CONECT   16   14   17   17   18                                       
CONECT   17   11   16   16   36                                       
CONECT   18    2   16   37   38                                       
CONECT   19   10   20   20   21                                       
CONECT   19   22                                                      
CONECT   20   19   19                                                 
CONECT   21   19   39                                                 
CONECT   22   19   40                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
