COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.405  -0.573   3.332  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.022   0.494   2.572  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.050  -0.691   4.658  1.00  0.00           N  
HETATM    4  C   UNL     1       1.286  -1.498   2.735  1.00  0.00           C  
HETATM    5  C   UNL     1       0.407   0.643   1.258  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.970   1.427   3.319  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.068   0.597   4.950  1.00  0.00           S  
HETATM    8  C   UNL     1       0.298  -1.754   5.604  1.00  0.00           C  
HETATM    9  C   UNL     1       1.708  -1.345   1.437  1.00  0.00           C  
HETATM   10  C   UNL     1       1.269  -0.269   0.688  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.333  -0.013   5.165  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.386   1.325   5.963  1.00  0.00           O  
HETATM   13  C   UNL     1       1.728  -0.095  -0.736  1.00  0.00           C  
HETATM   14  C   UNL     1       0.756  -0.809  -1.678  1.00  0.00           C  
HETATM   15  O   UNL     1       1.758   1.295  -1.063  1.00  0.00           O  
HETATM   16  N   UNL     1       1.094  -0.476  -3.064  1.00  0.00           N  
HETATM   17  C   UNL     1       2.496   1.422  -2.276  1.00  0.00           C  
HETATM   18  C   UNL     1       0.545  -1.285  -4.154  1.00  0.00           C  
HETATM   19  C   UNL     1       1.898   0.559  -3.351  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.772  -0.704  -4.596  1.00  0.00           C  
HETATM   21  O   UNL     1       2.150   0.805  -4.511  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.806   0.249  -5.597  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.948  -1.128  -4.006  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.015   0.783  -6.003  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.157  -0.591  -4.409  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.190   0.362  -5.409  1.00  0.00           C  
HETATM   27  H   UNL     1       1.636  -2.342   3.310  1.00  0.00           H  
HETATM   28  H   UNL     1       0.062   1.485   0.676  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.546   2.427   3.409  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.948   1.459   2.840  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.209  -1.577   6.553  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.013  -2.717   5.200  1.00  0.00           H  
HETATM   33  H   UNL     1       1.376  -1.758   5.764  1.00  0.00           H  
HETATM   34  H   UNL     1       2.383  -2.066   1.002  1.00  0.00           H  
HETATM   35  H   UNL     1       2.726  -0.519  -0.852  1.00  0.00           H  
HETATM   36  H   UNL     1       0.835  -1.887  -1.534  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.261  -0.486  -1.464  1.00  0.00           H  
HETATM   38  H   UNL     1       3.528   1.116  -2.100  1.00  0.00           H  
HETATM   39  H   UNL     1       2.482   2.462  -2.599  1.00  0.00           H  
HETATM   40  H   UNL     1       1.241  -1.286  -4.992  1.00  0.00           H  
HETATM   41  H   UNL     1       0.393  -2.307  -3.807  1.00  0.00           H  
HETATM   42  H   UNL     1       0.111   0.577  -6.061  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.922  -1.873  -3.225  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.041   1.528  -6.784  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.075  -0.919  -3.944  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.135   0.780  -5.725  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1    5    6                                       
CONECT    3    1    7    8                                            
CONECT    4    1    9    9   27                                       
CONECT    5    2   10   10   28                                       
CONECT    6    2    7   29   30                                       
CONECT    7    3    6   11   11                                       
CONECT    7   12   12                                                 
CONECT    8    3   31   32   33                                       
CONECT    9    4    4   10   34                                       
CONECT   10    5    5    9   13                                       
CONECT   11    7    7                                                 
CONECT   12    7    7                                                 
CONECT   13   10   14   15   35                                       
CONECT   14   13   16   36   37                                       
CONECT   15   13   17                                                 
CONECT   16   14   18   19                                            
CONECT   17   15   19   38   39                                       
CONECT   18   16   20   40   41                                       
CONECT   19   16   17   21   21                                       
CONECT   20   18   22   22   23                                       
CONECT   21   19   19                                                 
CONECT   22   20   20   24   42                                       
CONECT   23   20   25   25   43                                       
CONECT   24   22   26   26   44                                       
CONECT   25   23   23   26   45                                       
CONECT   26   24   24   25   46                                       
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
