COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.232   1.096  -0.148  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.725   0.770  -0.196  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.936  -0.410  -0.970  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.276  -1.481  -0.294  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.771  -1.212  -0.249  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.513   0.008   0.527  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.150   0.285   0.397  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.605   1.396   1.031  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.261   1.674   0.905  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.342  -0.551  -0.366  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.998  -0.278  -0.502  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.445   0.836   0.139  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.113   1.106   0.012  1.00  0.00           N  
HETATM   14  C   UNL     1       0.772   0.136   0.137  1.00  0.00           C  
HETATM   15  N   UNL     1       2.069   0.452   0.004  1.00  0.00           N  
HETATM   16  N   UNL     1       0.309  -1.115   0.391  1.00  0.00           N  
HETATM   17  C   UNL     1       1.102  -2.129   0.529  1.00  0.00           C  
HETATM   18  C   UNL     1       2.592  -1.884   0.391  1.00  0.00           C  
HETATM   19  C   UNL     1       3.018  -0.455   0.113  1.00  0.00           C  
HETATM   20  C   UNL     1       4.377  -0.112  -0.029  1.00  0.00           C  
HETATM   21  S   UNL     1       5.832  -1.145   0.074  1.00  0.00           S  
HETATM   22  C   UNL     1       4.960   1.126  -0.295  1.00  0.00           C  
HETATM   23  C   UNL     1       4.118   2.362  -0.475  1.00  0.00           C  
HETATM   24  N   UNL     1       6.263   1.177  -0.378  1.00  0.00           N  
HETATM   25  C   UNL     1       7.012   0.095  -0.220  1.00  0.00           C  
HETATM   26  N   UNL     1       8.384  -0.018  -0.276  1.00  0.00           N  
HETATM   27  H   UNL     1      -6.080   2.026   0.401  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.852   1.208  -1.163  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.263   1.603  -0.649  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.094   0.610   0.818  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.462  -2.414  -0.826  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.661  -1.560   0.722  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.395  -1.084  -1.264  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.266  -2.056   0.221  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.236   2.043   1.623  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.839   2.537   1.398  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.769  -1.413  -0.857  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.372  -0.927  -1.095  1.00  0.00           H  
HETATM   39  H   UNL     1       0.715  -3.117   0.732  1.00  0.00           H  
HETATM   40  H   UNL     1       2.966  -2.518  -0.412  1.00  0.00           H  
HETATM   41  H   UNL     1       3.073  -2.199   1.317  1.00  0.00           H  
HETATM   42  H   UNL     1       3.858   2.475  -1.528  1.00  0.00           H  
HETATM   43  H   UNL     1       3.207   2.271   0.116  1.00  0.00           H  
HETATM   44  H   UNL     1       4.679   3.236  -0.145  1.00  0.00           H  
HETATM   45  H   UNL     1       8.928   0.765  -0.451  1.00  0.00           H  
HETATM   46  H   UNL     1       8.805  -0.881  -0.140  1.00  0.00           H  
CONECT    1    2    6   27   28                                       
CONECT    2    1    3   29   30                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   31   32                                       
CONECT    5    4    6   33   34                                       
CONECT    6    1    5    7                                            
CONECT    7    6    8    8   10                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   12   12   36                                       
CONECT   10    7   11   11   37                                       
CONECT   11   10   10   12   38                                       
CONECT   12    9    9   11   13                                       
CONECT   13   12   14   14                                            
CONECT   14   13   13   15   16                                       
CONECT   15   14   19   19                                            
CONECT   16   14   17   17                                            
CONECT   17   16   16   18   39                                       
CONECT   18   17   19   40   41                                       
CONECT   19   15   15   18   20                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   25                                                 
CONECT   22   20   20   23   24                                       
CONECT   23   22   42   43   44                                       
CONECT   24   22   25   25                                            
CONECT   25   21   24   24   26                                       
CONECT   26   25   45   46                                            
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
