COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.400   5.059  -0.458  1.00  0.00           C  
HETATM    2  N   UNL     1       2.851   3.731  -0.021  1.00  0.00           N  
HETATM    3  C   UNL     1       1.913   2.687  -0.454  1.00  0.00           C  
HETATM    4  C   UNL     1       2.415   1.322   0.019  1.00  0.00           C  
HETATM    5  C   UNL     1       1.438   0.235  -0.432  1.00  0.00           C  
HETATM    6  C   UNL     1       1.993  -1.120  -0.074  1.00  0.00           C  
HETATM    7  S   UNL     1       1.802  -1.915   1.483  1.00  0.00           S  
HETATM    8  C   UNL     1       2.725  -3.303   0.922  1.00  0.00           C  
HETATM    9  C   UNL     1       3.107  -3.105  -0.341  1.00  0.00           C  
HETATM   10  C   UNL     1       2.699  -1.902  -0.892  1.00  0.00           C  
HETATM   11  O   UNL     1       0.181   0.422   0.222  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.916  -0.089  -0.393  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.203   0.159   0.130  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.383   0.933   1.286  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.640   1.152   1.761  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.754   0.618   1.116  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.616  -0.138  -0.008  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.335  -0.384  -0.527  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.154  -1.160  -1.686  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.898  -1.379  -2.163  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.783  -0.843  -1.524  1.00  0.00           C  
HETATM   22  H   UNL     1       2.332   5.080  -1.546  1.00  0.00           H  
HETATM   23  H   UNL     1       1.421   5.270  -0.029  1.00  0.00           H  
HETATM   24  H   UNL     1       3.113   5.813  -0.124  1.00  0.00           H  
HETATM   25  H   UNL     1       2.984   3.706   0.979  1.00  0.00           H  
HETATM   26  H   UNL     1       0.930   2.882  -0.025  1.00  0.00           H  
HETATM   27  H   UNL     1       1.842   2.691  -1.542  1.00  0.00           H  
HETATM   28  H   UNL     1       3.398   1.128  -0.410  1.00  0.00           H  
HETATM   29  H   UNL     1       2.487   1.317   1.107  1.00  0.00           H  
HETATM   30  H   UNL     1       1.298   0.296  -1.512  1.00  0.00           H  
HETATM   31  H   UNL     1       2.949  -4.181   1.509  1.00  0.00           H  
HETATM   32  H   UNL     1       3.688  -3.829  -0.893  1.00  0.00           H  
HETATM   33  H   UNL     1       2.936  -1.618  -1.907  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.529   1.353   1.797  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.776   1.748   2.651  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.740   0.806   1.514  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.488  -0.546  -0.497  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.008  -1.583  -2.194  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.764  -1.975  -3.054  1.00  0.00           H  
HETATM   40  H   UNL     1       0.203  -1.033  -1.924  1.00  0.00           H  
CONECT    1    2   22   23   24                                       
CONECT    2    3    1   25                                            
CONECT    3    4    2   26   27                                       
CONECT    4    5    3   28   29                                       
CONECT    5    6   11    4   30                                       
CONECT    6    7    5   10   10                                       
CONECT    7    8    6                                                 
CONECT    8    7    9    9   31                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9    6    6   33                                       
CONECT   11   12    5                                                 
CONECT   12   21   21   13   11                                       
CONECT   13   18   12   14   14                                       
CONECT   14   13   13   15   34                                       
CONECT   15   16   16   14   35                                       
CONECT   16   17   15   15   36                                       
CONECT   17   18   18   16   37                                       
CONECT   18   19   17   17   13                                       
CONECT   19   20   20   18   38                                       
CONECT   20   19   19   21   39                                       
CONECT   21   20   12   12   40                                       
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
