COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.039   4.423  -0.959  1.00  0.00           O  
HETATM    2  O   UNL     1      -5.475   3.847   0.635  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.649   3.501  -0.187  1.00  0.00           C  
HETATM    4  O   UNL     1       3.900  -1.591  -1.451  1.00  0.00           O  
HETATM    5  C   UNL     1       6.416   0.255  -0.989  1.00  0.00           C  
HETATM    6  C   UNL     1       7.305   1.227  -0.558  1.00  0.00           C  
HETATM    7  C   UNL     1       6.921   2.157   0.391  1.00  0.00           C  
HETATM    8  C   UNL     1       5.641   2.129   0.923  1.00  0.00           C  
HETATM    9  O   UNL     1       2.649   1.436   1.641  1.00  0.00           O  
HETATM   10  C   UNL     1       3.340   0.840   0.839  1.00  0.00           C  
HETATM   11  C   UNL     1       4.742   1.163   0.502  1.00  0.00           C  
HETATM   12  C   UNL     1       5.134   0.215  -0.466  1.00  0.00           C  
HETATM   13  C   UNL     1       3.956  -0.651  -0.684  1.00  0.00           C  
HETATM   14  N   UNL     1       2.957  -0.223   0.109  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.533  -0.871   1.077  1.00  0.00           C  
HETATM   16  C   UNL     1       0.720  -0.292   1.022  1.00  0.00           C  
HETATM   17  C   UNL     1       1.685  -0.809   0.168  1.00  0.00           C  
HETATM   18  C   UNL     1       1.388  -1.907  -0.628  1.00  0.00           C  
HETATM   19  C   UNL     1       0.133  -2.481  -0.569  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.826  -1.964   0.283  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.265  -4.047  -0.078  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.963  -2.361   1.630  1.00  0.00           O  
HETATM   23  S   UNL     1      -2.423  -2.705   0.361  1.00  0.00           S  
HETATM   24  N   UNL     1      -3.369  -1.951  -0.770  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.054   0.346  -1.424  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.685  -0.605  -0.626  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.632  -0.210   0.316  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.945   1.117   0.461  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.314   2.074  -0.340  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.359   1.675  -1.281  1.00  0.00           C  
HETATM   31  H   UNL     1      -4.292   5.346  -0.822  1.00  0.00           H  
HETATM   32  H   UNL     1       6.720  -0.466  -1.734  1.00  0.00           H  
HETATM   33  H   UNL     1       8.305   1.259  -0.965  1.00  0.00           H  
HETATM   34  H   UNL     1       7.622   2.909   0.719  1.00  0.00           H  
HETATM   35  H   UNL     1       5.347   2.857   1.664  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.282  -0.472   1.744  1.00  0.00           H  
HETATM   37  H   UNL     1       0.949   0.562   1.642  1.00  0.00           H  
HETATM   38  H   UNL     1       2.136  -2.311  -1.293  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.099  -3.335  -1.188  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.703  -2.448  -1.533  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.321   0.037  -2.154  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.119  -0.950   0.933  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.680   1.422   1.191  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.867   2.412  -1.897  1.00  0.00           H  
CONECT    1    3   31                                                 
CONECT    2    3    3                                                 
CONECT    3    1    2    2   29                                       
CONECT    4   13   13                                                 
CONECT    5    6    6   12   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8    8   34                                       
CONECT    8    7    7   11   35                                       
CONECT    9   10   10                                                 
CONECT   10   14   11    9    9                                       
CONECT   11   12   12    8   10                                       
CONECT   12    5   13   11   11                                       
CONECT   13    4    4   12   14                                       
CONECT   14   13   17   10                                            
CONECT   15   16   16   20   36                                       
CONECT   16   15   15   17   37                                       
CONECT   17   16   14   18   18                                       
CONECT   18   17   17   19   38                                       
CONECT   19   20   20   18   39                                       
CONECT   20   15   23   19   19                                       
CONECT   21   23   23                                                 
CONECT   22   23   23                                                 
CONECT   23   21   21   24   20                                       
CONECT   23   22   22                                                 
CONECT   24   26   23   40                                            
CONECT   25   30   26   26   41                                       
CONECT   26   25   25   27   24                                       
CONECT   27   28   28   26   42                                       
CONECT   28   29   27   27   43                                       
CONECT   29    3   30   30   28                                       
CONECT   30   29   29   25   44                                       
CONECT   31    1                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   27                                                      
CONECT   43   28                                                      
CONECT   44   30                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
