COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.539   0.008  -1.000  1.00  0.00           C  
HETATM    2  C   UNL     1       3.155   0.016   0.350  1.00  0.00           C  
HETATM    3  C   UNL     1       4.884  -0.010  -1.340  1.00  0.00           C  
HETATM    4  N   UNL     1       2.364   0.027  -1.736  1.00  0.00           N  
HETATM    5  C   UNL     1       4.135   0.006   1.347  1.00  0.00           C  
HETATM    6  N   UNL     1       1.795   0.034   0.380  1.00  0.00           N  
HETATM    7  C   UNL     1       5.847  -0.020  -0.347  1.00  0.00           C  
HETATM    8  C   UNL     1       1.328   0.046  -0.844  1.00  0.00           C  
HETATM    9  C   UNL     1       5.470  -0.012   0.998  1.00  0.00           C  
HETATM   10  O   UNL     1       7.211  -0.038  -0.417  1.00  0.00           O  
HETATM   11  S   UNL     1      -0.380   0.075  -1.276  1.00  0.00           S  
HETATM   12  O   UNL     1       6.601  -0.024   1.766  1.00  0.00           O  
HETATM   13  C   UNL     1       7.668   0.374   0.886  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.121   0.090   0.375  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.623   0.115   0.251  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.323  -1.076   0.197  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.252   1.273   0.201  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.704  -1.044   0.083  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.593  -2.392   0.260  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.564   1.347   0.093  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.334   0.194   0.027  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.502  -2.320   0.020  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.233   2.696   0.041  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.686   0.275  -0.084  1.00  0.00           O  
HETATM   25  C   UNL     1      -7.436   0.317   1.131  1.00  0.00           C  
HETATM   26  H   UNL     1       5.179  -0.017  -2.378  1.00  0.00           H  
HETATM   27  H   UNL     1       2.290   0.027  -2.703  1.00  0.00           H  
HETATM   28  H   UNL     1       3.847   0.013   2.388  1.00  0.00           H  
HETATM   29  H   UNL     1       8.592  -0.142   1.147  1.00  0.00           H  
HETATM   30  H   UNL     1       7.808   1.454   0.918  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.817  -0.805   0.918  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.786   0.975   0.916  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.501  -2.707   1.300  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.150  -3.144  -0.299  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.600  -2.279  -0.174  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.779  -2.626   1.029  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.404  -2.156  -0.570  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.901  -3.102  -0.444  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.310   3.023  -0.996  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.231   2.623   0.474  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.643   3.417   0.606  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.500   0.381   0.900  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.244  -0.587   1.708  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.138   1.190   1.712  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1    5    6                                       
CONECT    3    1    7    7   26                                       
CONECT    4    1    8   27                                            
CONECT    5    2    9    9   28                                       
CONECT    6    2    8    8                                            
CONECT    7    3    3    9   10                                       
CONECT    8    4    6    6   11                                       
CONECT    9    5    5    7   12                                       
CONECT   10    7   13                                                 
CONECT   11    8   14                                                 
CONECT   12    9   13                                                 
CONECT   13   10   12   29   30                                       
CONECT   14   11   15   31   32                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15   18   19                                       
CONECT   17   15   20   20                                            
CONECT   18   16   21   21   22                                       
CONECT   19   16   33   34   35                                       
CONECT   20   17   17   21   23                                       
CONECT   21   18   18   20   24                                       
CONECT   22   18   36   37   38                                       
CONECT   23   20   39   40   41                                       
CONECT   24   21   25                                                 
CONECT   25   24   42   43   44                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
