COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.078  -1.091   0.085  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.344  -2.320  -0.172  1.00  0.00           N  
HETATM    3  C   UNL     1       0.515  -3.294  -0.436  1.00  0.00           C  
HETATM    4  C   UNL     1       1.868  -3.017  -0.443  1.00  0.00           C  
HETATM    5  C   UNL     1       2.283  -1.712  -0.169  1.00  0.00           C  
HETATM    6  N   UNL     1       3.631  -1.389  -0.165  1.00  0.00           N  
HETATM    7  C   UNL     1       4.040  -0.107   0.203  1.00  0.00           C  
HETATM    8  C   UNL     1       3.218   0.689   0.979  1.00  0.00           C  
HETATM    9  C   UNL     1       3.620   1.965   1.348  1.00  0.00           C  
HETATM   10  C   UNL     1       4.841   2.460   0.949  1.00  0.00           C  
HETATM   11  C   UNL     1       5.688   1.679   0.167  1.00  0.00           C  
HETATM   12  N   UNL     1       6.932   1.881  -0.374  1.00  0.00           N  
HETATM   13  N   UNL     1       7.293   0.725  -1.077  1.00  0.00           N  
HETATM   14  C   UNL     1       6.341  -0.158  -0.990  1.00  0.00           C  
HETATM   15  C   UNL     1       5.293   0.382  -0.208  1.00  0.00           C  
HETATM   16  N   UNL     1       1.366  -0.785   0.088  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.116   2.320   0.865  1.00  0.00           C  
HETATM   18  S   UNL     1      -5.728   1.253  -0.551  1.00  0.00           S  
HETATM   19  O   UNL     1      -6.837   0.423  -0.867  1.00  0.00           O  
HETATM   20  O   UNL     1      -5.054   1.991  -1.561  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.510   0.137   0.061  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.895  -1.059   0.636  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.942  -1.938   1.117  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.601  -1.623   1.024  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.210  -0.422   0.446  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.853  -0.099   0.350  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.170   0.456  -0.041  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.562   0.819   0.470  1.00  0.00           H  
HETATM   29  H   UNL     1       0.161  -4.293  -0.643  1.00  0.00           H  
HETATM   30  H   UNL     1       2.589  -3.793  -0.655  1.00  0.00           H  
HETATM   31  H   UNL     1       4.290  -2.054  -0.419  1.00  0.00           H  
HETATM   32  H   UNL     1       2.257   0.315   1.299  1.00  0.00           H  
HETATM   33  H   UNL     1       2.967   2.576   1.953  1.00  0.00           H  
HETATM   34  H   UNL     1       5.142   3.455   1.243  1.00  0.00           H  
HETATM   35  H   UNL     1       7.468   2.684  -0.286  1.00  0.00           H  
HETATM   36  H   UNL     1       6.351  -1.141  -1.437  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.496   1.712   1.685  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.213   2.840   1.186  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.871   3.050   0.573  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.944  -1.309   0.710  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.869   1.389  -0.494  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.247  -2.872   1.567  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.857  -2.309   1.401  1.00  0.00           H  
CONECT    1    2   16   16   26                                       
CONECT    2    1    3    3                                            
CONECT    3    2    2    4   29                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6   16                                       
CONECT    6    5    7   31                                            
CONECT    7    6    8   15   15                                       
CONECT    8    7    9    9   32                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9   11   11   34                                       
CONECT   11   10   10   12   15                                       
CONECT   12   11   13   35                                            
CONECT   13   12   14   14                                            
CONECT   14   13   13   15   36                                       
CONECT   15    7    7   11   14                                       
CONECT   16    1    1    5                                            
CONECT   17   18   37   38   39                                       
CONECT   18   17   19   19   20                                       
CONECT   18   20   21                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22   27   27                                       
CONECT   22   21   23   23   40                                       
CONECT   23   22   22   24   42                                       
CONECT   24   23   25   25   43                                       
CONECT   25   24   24   26   27                                       
CONECT   26    1   25   28                                            
CONECT   27   21   21   25   41                                       
CONECT   28   26                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   22                                                      
CONECT   41   27                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
