COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.803  -3.474  -0.188  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.053  -2.748   1.018  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.114  -1.528   1.128  1.00  0.00           C  
HETATM    4  C   UNL     1       1.132  -1.751   0.269  1.00  0.00           C  
HETATM    5  O   UNL     1       2.047  -0.672   0.467  1.00  0.00           O  
HETATM    6  P   UNL     1       3.469  -0.580  -0.282  1.00  0.00           P  
HETATM    7  O   UNL     1       3.232  -0.413  -1.865  1.00  0.00           O  
HETATM    8  O   UNL     1       4.242  -1.816  -0.026  1.00  0.00           O  
HETATM    9  O   UNL     1       4.287   0.690   0.275  1.00  0.00           O  
HETATM   10  P   UNL     1       5.826   1.156   0.185  1.00  0.00           P  
HETATM   11  O   UNL     1       6.010   2.552   0.967  1.00  0.00           O  
HETATM   12  O   UNL     1       6.766   0.036   0.859  1.00  0.00           O  
HETATM   13  S   UNL     1       6.305   1.377  -1.602  1.00  0.00           S  
HETATM   14  O   UNL     1      -0.834  -0.384   0.653  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.142  -0.777   0.209  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.124   0.259   0.541  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.009   1.194   1.528  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.063   1.956   1.543  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.921   1.560   0.570  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.180   1.996   0.129  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.795   3.046   0.725  1.00  0.00           O  
HETATM   22  N   UNL     1      -6.754   1.360  -0.883  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.159   0.331  -1.474  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.804  -0.303  -2.523  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.973  -0.114  -1.090  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.325   0.470  -0.088  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.456  -2.083   0.981  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.391  -2.892   0.265  1.00  0.00           O  
HETATM   29  H   UNL     1      -1.368  -4.250  -0.303  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.953  -3.395   1.889  1.00  0.00           H  
HETATM   31  H   UNL     1       0.176  -1.377   2.168  1.00  0.00           H  
HETATM   32  H   UNL     1       1.607  -2.689   0.557  1.00  0.00           H  
HETATM   33  H   UNL     1       0.845  -1.796  -0.782  1.00  0.00           H  
HETATM   34  H   UNL     1       2.731   0.378  -2.107  1.00  0.00           H  
HETATM   35  H   UNL     1       6.573  -0.132   1.791  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.137  -0.962  -0.865  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.167   1.288   2.197  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.385  -1.059  -2.964  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.674   0.009  -2.817  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.815  -1.867   1.987  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.536  -3.765   0.656  1.00  0.00           H  
HETATM   42  H   UNL     1       6.915   2.893   0.954  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.584   3.902   0.329  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    3   27    1   30                                       
CONECT    3    2   14    4   31                                       
CONECT    4    3    5   32   33                                       
CONECT    5    4    6                                                 
CONECT    6    5    8    8    9                                       
CONECT    6    7                                                      
CONECT    7    6   34                                                 
CONECT    8    6    6                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   13   13                                       
CONECT   10   12                                                      
CONECT   11   10   42                                                 
CONECT   12   10   35                                                 
CONECT   13   10   10                                                 
CONECT   14    3   15                                                 
CONECT   15   14   27   16   36                                       
CONECT   16   15   26   17                                            
CONECT   17   16   18   18   37                                       
CONECT   18   19   17   17                                            
CONECT   19   26   26   20   18                                       
CONECT   20   22   22   19   21                                       
CONECT   21   20   43                                                 
CONECT   22   23   20   20                                            
CONECT   23   24   25   25   22                                       
CONECT   24   23   38   39                                            
CONECT   25   23   23   26                                            
CONECT   26   25   16   19   19                                       
CONECT   27    2   15   28   40                                       
CONECT   28   27   41                                                 
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    7                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   24                                                      
CONECT   39   24                                                      
CONECT   40   27                                                      
CONECT   41   28                                                      
CONECT   42   11                                                      
CONECT   43   21                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
