COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.003   0.914  -0.650  1.00  0.00           C  
HETATM    2  C   UNL     1       3.564   0.881   1.047  1.00  0.00           C  
HETATM    3  C   UNL     1       6.246   1.319  -1.400  1.00  0.00           C  
HETATM    4  C   UNL     1       1.619  -0.650   0.572  1.00  0.00           C  
HETATM    5  N   UNL     1       1.215  -1.080   1.802  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.412  -1.577   0.401  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.711  -2.078  -0.175  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.468  -2.619  -1.585  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.415   0.187  -0.973  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.324   1.225  -1.029  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.525   1.133  -0.340  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.810  -0.002   0.404  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.898  -1.038   0.457  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.636   1.990   0.340  1.00  0.00           C  
HETATM   15  S   UNL     1       3.822  -0.175  -1.235  1.00  0.00           S  
HETATM   16  C   UNL     1       2.895   0.015   0.252  1.00  0.00           C  
HETATM   17  N   UNL     1       4.682   1.336   0.528  1.00  0.00           N  
HETATM   18  C   UNL     1       3.070   1.288   2.411  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.055  -1.652   1.658  1.00  0.00           N  
HETATM   20  C   UNL     1       0.612  -0.960  -0.317  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.704  -0.947  -0.235  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.420   2.154  -0.394  1.00  0.00           O  
HETATM   23  H   UNL     1       6.034   2.200  -2.005  1.00  0.00           H  
HETATM   24  H   UNL     1       7.040   1.549  -0.689  1.00  0.00           H  
HETATM   25  H   UNL     1       6.563   0.501  -2.047  1.00  0.00           H  
HETATM   26  H   UNL     1       1.718  -1.003   2.628  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.105  -2.875   0.457  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.407  -2.982  -2.002  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.074  -1.823  -2.217  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.749  -3.438  -1.542  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.480   0.258  -1.508  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.100   2.109  -1.609  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.744  -0.076   0.941  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.119  -1.923   1.037  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.168   1.114  -0.030  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.407   1.857   1.397  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.260   2.875   0.212  1.00  0.00           H  
HETATM   38  H   UNL     1       3.466   0.603   3.161  1.00  0.00           H  
HETATM   39  H   UNL     1       3.407   2.301   2.632  1.00  0.00           H  
HETATM   40  H   UNL     1       1.981   1.256   2.428  1.00  0.00           H  
HETATM   41  H   UNL     1       0.612  -0.755  -1.378  1.00  0.00           H  
CONECT    1    3   15   17   17                                       
CONECT    2   17   16   16   18                                       
CONECT    3    1   23   24   25                                       
CONECT    4   16   20   20    5                                       
CONECT    5    4   19   26                                            
CONECT    6   20    7   19   19                                       
CONECT    7   21    8    6   27                                       
CONECT    8    7   28   29   30                                       
CONECT    9   10   10   21   31                                       
CONECT   10   11    9    9   32                                       
CONECT   11   22   12   12   10                                       
CONECT   12   11   11   13   33                                       
CONECT   13   12   21   21   34                                       
CONECT   14   22   35   36   37                                       
CONECT   15    1   16                                                 
CONECT   16   15    2    2    4                                       
CONECT   17    1    1    2                                            
CONECT   18    2   38   39   40                                       
CONECT   19    6    6    5                                            
CONECT   20    4    4    6   41                                       
CONECT   21   13   13    9    7                                       
CONECT   22   14   11                                                 
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
