COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.219  -0.021   1.872  1.00  0.00           O  
HETATM    2  C   UNL     1       0.893   0.631   0.892  1.00  0.00           C  
HETATM    3  N   UNL     1       1.819   1.334   0.215  1.00  0.00           N  
HETATM    4  C   UNL     1       3.214   1.309   0.663  1.00  0.00           C  
HETATM    5  C   UNL     1       3.911   0.113   0.069  1.00  0.00           C  
HETATM    6  C   UNL     1       3.256  -0.680  -0.855  1.00  0.00           C  
HETATM    7  C   UNL     1       3.892  -1.779  -1.403  1.00  0.00           C  
HETATM    8  C   UNL     1       5.186  -2.087  -1.029  1.00  0.00           C  
HETATM    9  C   UNL     1       5.847  -1.293  -0.102  1.00  0.00           C  
HETATM   10  N   UNL     1       7.155  -1.602   0.279  1.00  0.00           N  
HETATM   11  C   UNL     1       5.207  -0.186   0.443  1.00  0.00           C  
HETATM   12  C   UNL     1       5.922   0.682   1.445  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.442   0.640   0.472  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.793   1.383  -0.640  1.00  0.00           C  
HETATM   15  C   UNL     1       0.206   2.110  -1.318  1.00  0.00           C  
HETATM   16  C   UNL     1       1.482   2.066  -0.879  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.077   1.411  -1.071  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.028   0.646  -0.327  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.412   0.801  -0.960  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.416  -0.005  -0.176  1.00  0.00           C  
HETATM   21  S   UNL     1      -5.833  -1.685  -0.489  1.00  0.00           S  
HETATM   22  C   UNL     1      -6.977  -1.681   0.847  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.984  -0.480   1.426  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.118   0.444   0.865  1.00  0.00           C  
HETATM   25  H   UNL     1      -1.189   0.073   1.010  1.00  0.00           H  
HETATM   26  H   UNL     1       3.716   2.221   0.340  1.00  0.00           H  
HETATM   27  H   UNL     1       3.244   1.244   1.751  1.00  0.00           H  
HETATM   28  H   UNL     1       2.245   2.622  -1.404  1.00  0.00           H  
HETATM   29  H   UNL     1       2.245  -0.442  -1.150  1.00  0.00           H  
HETATM   30  H   UNL     1       3.377  -2.397  -2.124  1.00  0.00           H  
HETATM   31  H   UNL     1       5.682  -2.946  -1.457  1.00  0.00           H  
HETATM   32  H   UNL     1       7.602  -2.372  -0.105  1.00  0.00           H  
HETATM   33  H   UNL     1       7.616  -1.046   0.926  1.00  0.00           H  
HETATM   34  H   UNL     1       5.815   0.251   2.441  1.00  0.00           H  
HETATM   35  H   UNL     1       6.979   0.741   1.186  1.00  0.00           H  
HETATM   36  H   UNL     1       5.489   1.682   1.434  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.048   2.696  -2.188  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.738  -0.404  -0.340  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.056   1.004   0.702  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.702   1.852  -0.948  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.384   0.444  -1.989  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.022   1.452   1.240  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.582  -2.522   1.151  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.614  -0.246   2.272  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    2    4   16                                            
CONECT    4    3    5   26   27                                       
CONECT    5    4    6   11   11                                       
CONECT    6    5    7    7   29                                       
CONECT    7    6    6    8   30                                       
CONECT    8    7    9    9   31                                       
CONECT    9    8    8   10   11                                       
CONECT   10    9   32   33                                            
CONECT   11    5    5    9   12                                       
CONECT   12   11   34   35   36                                       
CONECT   13    2   14   14   25                                       
CONECT   14   13   13   15   17                                       
CONECT   15   14   16   16   37                                       
CONECT   16    3   15   15   28                                       
CONECT   17   14   18                                                 
CONECT   18   17   19   38   39                                       
CONECT   19   18   20   40   41                                       
CONECT   20   19   21   24   24                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   23   43                                       
CONECT   23   22   22   24   44                                       
CONECT   24   20   20   23   42                                       
CONECT   25   13                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28   16                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   24                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
