COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.878   0.156  -2.133  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.544   1.036  -1.366  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.220   2.201  -1.341  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.400   0.826  -0.454  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.014   1.838   0.429  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.946   1.644   1.282  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.251   0.451   1.268  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.707  -0.382  -0.470  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.625  -0.569   0.390  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.935  -1.751   0.377  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.621  -1.745   0.394  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.800  -2.839   0.385  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.359  -4.192   0.353  1.00  0.00           C  
HETATM   14  S   UNL     1      -0.570  -0.319   0.426  1.00  0.00           S  
HETATM   15  C   UNL     1       0.940  -1.249   0.432  1.00  0.00           C  
HETATM   16  C   UNL     1       0.509  -2.650   0.404  1.00  0.00           C  
HETATM   17  O   UNL     1       1.301  -3.575   0.398  1.00  0.00           O  
HETATM   18  C   UNL     1       2.211  -0.771   0.454  1.00  0.00           C  
HETATM   19  C   UNL     1       2.450   0.668   0.621  1.00  0.00           C  
HETATM   20  C   UNL     1       3.682   1.227   0.244  1.00  0.00           C  
HETATM   21  O   UNL     1       4.658   0.440  -0.278  1.00  0.00           O  
HETATM   22  C   UNL     1       5.884   1.080  -0.638  1.00  0.00           C  
HETATM   23  C   UNL     1       6.840   0.056  -1.195  1.00  0.00           C  
HETATM   24  O   UNL     1       8.063   0.431  -1.602  1.00  0.00           O  
HETATM   25  O   UNL     1       6.505  -1.102  -1.275  1.00  0.00           O  
HETATM   26  C   UNL     1       3.897   2.586   0.406  1.00  0.00           C  
HETATM   27  C   UNL     1       2.903   3.387   0.936  1.00  0.00           C  
HETATM   28  C   UNL     1       1.686   2.840   1.310  1.00  0.00           C  
HETATM   29  C   UNL     1       1.451   1.491   1.151  1.00  0.00           C  
HETATM   30  H   UNL     1      -7.964   2.290  -1.953  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.553   2.774   0.445  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.004  -1.169  -1.148  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.652   2.429   1.962  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.416   0.306   1.938  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.484  -4.510  -0.682  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.681  -4.877   0.863  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.326  -4.198   0.855  1.00  0.00           H  
HETATM   38  H   UNL     1       3.045  -1.449   0.349  1.00  0.00           H  
HETATM   39  H   UNL     1       0.499   1.070   1.439  1.00  0.00           H  
HETATM   40  H   UNL     1       4.843   3.020   0.117  1.00  0.00           H  
HETATM   41  H   UNL     1       5.688   1.842  -1.392  1.00  0.00           H  
HETATM   42  H   UNL     1       6.324   1.546   0.244  1.00  0.00           H  
HETATM   43  H   UNL     1       8.640  -0.261  -1.951  1.00  0.00           H  
HETATM   44  H   UNL     1       3.076   4.445   1.060  1.00  0.00           H  
HETATM   45  H   UNL     1       0.916   3.474   1.724  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   30                                                 
CONECT    4    2    5    8    8                                       
CONECT    5    4    6    6   31                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    9    9   34                                       
CONECT    8    4    4    9   32                                       
CONECT    9    7    7    8   10                                       
CONECT   10    9   11   11                                            
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   16                                            
CONECT   13   12   35   36   37                                       
CONECT   14   11   15                                                 
CONECT   15   14   16   18   18                                       
CONECT   16   12   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   15   15   19   38                                       
CONECT   19   18   20   29   29                                       
CONECT   20   19   21   26   26                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   41   42                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23   43                                                 
CONECT   25   23   23                                                 
CONECT   26   20   20   27   40                                       
CONECT   27   26   28   28   44                                       
CONECT   28   27   27   29   45                                       
CONECT   29   19   19   28   39                                       
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   18                                                      
CONECT   39   29                                                      
CONECT   40   26                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
