COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.609   0.067   1.582  1.00  0.00           O  
HETATM    2  C   UNL     1       3.468  -0.500  -0.177  1.00  0.00           C  
HETATM    3  C   UNL     1       4.617   0.431  -0.164  1.00  0.00           C  
HETATM    4  C   UNL     1       2.192  -0.122  -0.106  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.864   0.006   0.019  1.00  0.00           N  
HETATM    6  C   UNL     1       5.920  -0.062  -0.248  1.00  0.00           C  
HETATM    7  C   UNL     1       6.987   0.812  -0.236  1.00  0.00           C  
HETATM    8  C   UNL     1       6.768   2.175  -0.140  1.00  0.00           C  
HETATM    9  C   UNL     1       7.938   3.124  -0.128  1.00  0.00           C  
HETATM   10  C   UNL     1       5.478   2.670  -0.057  1.00  0.00           C  
HETATM   11  C   UNL     1       4.402   1.807  -0.073  1.00  0.00           C  
HETATM   12  S   UNL     1       3.609  -2.244  -0.295  1.00  0.00           S  
HETATM   13  C   UNL     1       1.239  -1.211  -0.136  1.00  0.00           C  
HETATM   14  C   UNL     1       1.865  -2.457  -0.237  1.00  0.00           C  
HETATM   15  N   UNL     1       1.111  -3.563  -0.277  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.199  -3.492  -0.222  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.839  -2.341  -0.126  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.181  -1.192  -0.082  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.327   0.023  -0.051  1.00  0.00           C  
HETATM   20  P   UNL     1      -3.012   0.270   1.621  1.00  0.00           P  
HETATM   21  O   UNL     1      -2.700   1.640   2.084  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.360  -0.800   2.632  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.782   1.165  -0.962  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.277   1.101  -1.140  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.825   0.248  -2.079  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.197   0.190  -2.242  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.020   0.984  -1.465  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.471   1.836  -0.525  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.100   1.891  -0.359  1.00  0.00           C  
HETATM   30  H   UNL     1      -5.041   0.184   2.439  1.00  0.00           H  
HETATM   31  H   UNL     1       1.893   0.913  -0.032  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.374   0.835   0.135  1.00  0.00           H  
HETATM   33  H   UNL     1       6.092  -1.126  -0.323  1.00  0.00           H  
HETATM   34  H   UNL     1       7.996   0.432  -0.301  1.00  0.00           H  
HETATM   35  H   UNL     1       8.179   3.418  -1.149  1.00  0.00           H  
HETATM   36  H   UNL     1       7.682   4.009   0.454  1.00  0.00           H  
HETATM   37  H   UNL     1       8.801   2.631   0.321  1.00  0.00           H  
HETATM   38  H   UNL     1       5.314   3.735   0.017  1.00  0.00           H  
HETATM   39  H   UNL     1       3.397   2.195  -0.008  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.773  -4.407  -0.256  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.683  -0.926  -0.452  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.497  -1.722   2.372  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.510   2.119  -0.511  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.296   1.070  -1.933  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.182  -0.372  -2.686  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.625  -0.476  -2.977  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.091   0.938  -1.593  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.114   2.457   0.081  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.671   2.554   0.378  1.00  0.00           H  
CONECT    1   20   30                                                 
CONECT    2    4    4    3   12                                       
CONECT    3   11    2    6    6                                       
CONECT    4   13    2    2   31                                       
CONECT    5   19   18   32                                            
CONECT    6    3    3    7   33                                       
CONECT    7    8    8    6   34                                       
CONECT    8   10    9    7    7                                       
CONECT    9    8   35   36   37                                       
CONECT   10   11   11    8   38                                       
CONECT   11   10   10    3   39                                       
CONECT   12   14    2                                                 
CONECT   13   18    4   14   14                                       
CONECT   14   13   13   15   12                                       
CONECT   15   16   16   14                                            
CONECT   16   17   15   15   40                                       
CONECT   17   18   18   16                                            
CONECT   18    5   17   17   13                                       
CONECT   19   20    5   23   41                                       
CONECT   20   21   21   22    1                                       
CONECT   20   19                                                      
CONECT   21   20   20                                                 
CONECT   22   20   42                                                 
CONECT   23   19   24   43   44                                       
CONECT   24   23   29   29   25                                       
CONECT   25   24   26   26   45                                       
CONECT   26   25   25   27   46                                       
CONECT   27   28   28   26   47                                       
CONECT   28   29   27   27   48                                       
CONECT   29   24   24   28   49                                       
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
