COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.413   1.506  -0.433  1.00  0.00           C  
HETATM    2  C   UNL     1       0.028   1.606   0.924  1.00  0.00           C  
HETATM    3  C   UNL     1       0.397   0.573   0.112  1.00  0.00           C  
HETATM    4  C   UNL     1       0.986   2.270   1.880  1.00  0.00           C  
HETATM    5  C   UNL     1       3.146  -1.992   0.037  1.00  0.00           C  
HETATM    6  C   UNL     1       4.134   0.229  -0.074  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.738  -0.924  -0.504  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.681   0.657  -0.821  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.000   1.284  -0.117  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.277   1.996   0.798  1.00  0.00           C  
HETATM   11  S   UNL     1      -0.977   0.061  -0.858  1.00  0.00           S  
HETATM   12  O   UNL     1      -3.836   2.640  -0.567  1.00  0.00           O  
HETATM   13  C   UNL     1       1.747  -0.025   0.056  1.00  0.00           C  
HETATM   14  N   UNL     1       6.539   0.404  -0.198  1.00  0.00           N  
HETATM   15  O   UNL     1       3.278  -3.345   0.069  1.00  0.00           O  
HETATM   16  C   UNL     1       1.895  -1.418   0.088  1.00  0.00           C  
HETATM   17  C   UNL     1       2.867   0.798  -0.027  1.00  0.00           C  
HETATM   18  C   UNL     1       4.285  -1.176  -0.042  1.00  0.00           C  
HETATM   19  N   UNL     1       5.532  -1.705  -0.089  1.00  0.00           N  
HETATM   20  C   UNL     1       6.589  -0.954  -0.163  1.00  0.00           C  
HETATM   21  C   UNL     1       5.351   1.051  -0.157  1.00  0.00           C  
HETATM   22  O   UNL     1       5.292   2.267  -0.189  1.00  0.00           O  
HETATM   23  N   UNL     1      -4.244   0.455  -0.580  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.600  -1.704   0.494  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.014  -1.581   0.115  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.467  -0.186   0.189  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.859  -2.453   0.942  1.00  0.00           C  
HETATM   28  H   UNL     1       1.443   3.133   1.396  1.00  0.00           H  
HETATM   29  H   UNL     1       0.444   2.596   2.768  1.00  0.00           H  
HETATM   30  H   UNL     1       1.762   1.561   2.168  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.800  -1.391  -1.486  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.701  -0.918  -0.166  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.930   1.710  -0.692  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.930   0.341  -1.834  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.702   2.803   1.377  1.00  0.00           H  
HETATM   36  H   UNL     1       7.363   0.914  -0.253  1.00  0.00           H  
HETATM   37  H   UNL     1       3.359  -3.711   0.960  1.00  0.00           H  
HETATM   38  H   UNL     1       1.020  -2.048   0.153  1.00  0.00           H  
HETATM   39  H   UNL     1       2.752   1.872  -0.052  1.00  0.00           H  
HETATM   40  H   UNL     1       7.556  -1.432  -0.198  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.310  -2.755   0.482  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.455  -1.298   1.495  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.296   0.199   1.195  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.530  -0.135  -0.044  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.752  -2.174   1.991  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.900  -2.343   0.641  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.550  -3.490   0.810  1.00  0.00           H  
CONECT    1   12   12   23    9                                       
CONECT    2   10    3    3    4                                       
CONECT    3   11    2    2   13                                       
CONECT    4    2   28   29   30                                       
CONECT    5   16   15   18   18                                       
CONECT    6   17   17   18   21                                       
CONECT    7   23   24   31   32                                       
CONECT    8   26   23   33   34                                       
CONECT    9    1   11   10   10                                       
CONECT   10    9    9    2   35                                       
CONECT   11    9    3                                                 
CONECT   12    1    1                                                 
CONECT   13    3   16   16   17                                       
CONECT   14   21   20   36                                            
CONECT   15    5   37                                                 
CONECT   16   13   13    5   38                                       
CONECT   17   13    6    6   39                                       
CONECT   18    5    5    6   19                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   14   40                                       
CONECT   21    6   22   22   14                                       
CONECT   22   21   21                                                 
CONECT   23    8    1    7                                            
CONECT   24   25    7   41   42                                       
CONECT   25   26   27   24                                            
CONECT   26    8   25   43   44                                       
CONECT   27   25   45   46   47                                       
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   20                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
