COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.129  -1.690   2.437  1.00  0.00           C  
HETATM    2  N   UNL     1       3.573  -0.982   0.083  1.00  0.00           N  
HETATM    3  O   UNL     1       2.311  -1.719  -1.741  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.521  -2.880  -0.168  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.235  -2.497  -0.123  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.357  -3.327  -0.135  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.887  -1.032  -0.058  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.442  -0.321  -1.294  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.500  -0.418   1.202  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.467  -0.881  -0.019  1.00  0.00           O  
HETATM   11  N   UNL     1      -3.032   0.465   0.043  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.759   0.737   0.083  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.301   2.142   0.035  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.012   2.472  -0.046  1.00  0.00           N  
HETATM   15  C   UNL     1       0.269   3.737  -0.082  1.00  0.00           C  
HETATM   16  N   UNL     1       1.544   4.270  -0.166  1.00  0.00           N  
HETATM   17  S   UNL     1      -1.221   4.673  -0.011  1.00  0.00           S  
HETATM   18  C   UNL     1      -2.158   3.182   0.062  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.769  -0.361   0.178  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.136  -1.518   0.109  1.00  0.00           O  
HETATM   21  N   UNL     1       0.539  -0.078   0.340  1.00  0.00           N  
HETATM   22  C   UNL     1       1.503  -1.162   0.542  1.00  0.00           C  
HETATM   23  C   UNL     1       2.471  -1.353  -0.595  1.00  0.00           C  
HETATM   24  S   UNL     1       5.179  -0.843  -0.292  1.00  0.00           S  
HETATM   25  O   UNL     1       5.726   0.094   0.626  1.00  0.00           O  
HETATM   26  O   UNL     1       5.833  -2.182   0.019  1.00  0.00           O  
HETATM   27  O   UNL     1       5.249  -0.681  -1.702  1.00  0.00           O  
HETATM   28  C   UNL     1       2.773  -0.747   1.286  1.00  0.00           C  
HETATM   29  H   UNL     1       4.033  -1.335   2.932  1.00  0.00           H  
HETATM   30  H   UNL     1       2.308  -1.715   3.154  1.00  0.00           H  
HETATM   31  H   UNL     1       3.299  -2.693   2.045  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.694  -3.831  -0.208  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.191   0.738  -1.247  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.006  -0.759  -2.191  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.526  -0.436  -1.323  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.105  -0.925   2.083  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.249   0.641   1.249  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.584  -0.533   1.173  1.00  0.00           H  
HETATM   39  H   UNL     1       2.315   3.682  -0.201  1.00  0.00           H  
HETATM   40  H   UNL     1       1.667   5.232  -0.188  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.234   3.114   0.121  1.00  0.00           H  
HETATM   42  H   UNL     1       0.841   0.843   0.324  1.00  0.00           H  
HETATM   43  H   UNL     1       1.049  -2.083   0.907  1.00  0.00           H  
HETATM   44  H   UNL     1       2.764   0.299   1.595  1.00  0.00           H  
HETATM   45  H   UNL     1       6.781  -2.209  -0.166  1.00  0.00           H  
CONECT    1   28   29   30   31                                       
CONECT    2   24   23   28                                            
CONECT    3   23   23                                                 
CONECT    4    5   32                                                 
CONECT    5    7    6    6    4                                       
CONECT    6    5    5                                                 
CONECT    7    8   10    9    5                                       
CONECT    8    7   33   34   35                                       
CONECT    9    7   36   37   38                                       
CONECT   10   11    7                                                 
CONECT   11   10   12   12                                            
CONECT   12   19   11   11   13                                       
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   15                                            
CONECT   15   14   14   16   17                                       
CONECT   16   15   39   40                                            
CONECT   17   15   18                                                 
CONECT   18   13   13   17   41                                       
CONECT   19   20   20   21   12                                       
CONECT   20   19   19                                                 
CONECT   21   22   19   42                                            
CONECT   22   23   28   21   43                                       
CONECT   23    3    3    2   22                                       
CONECT   24   25   25   27   27                                       
CONECT   24   26    2                                                 
CONECT   25   24   24                                                 
CONECT   26   24   45                                                 
CONECT   27   24   24                                                 
CONECT   28    2   22    1   44                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   28                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
