COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.851  -3.787   1.544  1.00  0.00           O  
HETATM    2  O   UNL     1       1.742  -3.956   0.547  1.00  0.00           O  
HETATM    3  C   UNL     1       1.144  -5.082   1.198  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.373  -5.014   0.981  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.143  -2.662   1.248  1.00  0.00           C  
HETATM    6  C   UNL     1       1.153  -2.748   0.753  1.00  0.00           C  
HETATM    7  C   UNL     1       1.868  -1.579   0.459  1.00  0.00           C  
HETATM    8  C   UNL     1       1.274  -0.332   0.662  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.022  -0.256   1.155  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.728  -1.423   1.447  1.00  0.00           C  
HETATM   11  C   UNL     1       3.245  -1.665  -0.065  1.00  0.00           C  
HETATM   12  O   UNL     1       3.761  -2.752  -0.241  1.00  0.00           O  
HETATM   13  N   UNL     1       3.930  -0.540  -0.347  1.00  0.00           N  
HETATM   14  C   UNL     1       5.297  -0.626  -0.867  1.00  0.00           C  
HETATM   15  N   UNL     1       6.984   2.643  -0.286  1.00  0.00           N  
HETATM   16  C   UNL     1       6.510   1.429  -0.091  1.00  0.00           C  
HETATM   17  C   UNL     1       5.835   0.763  -1.098  1.00  0.00           C  
HETATM   18  C   UNL     1       5.660   1.389  -2.322  1.00  0.00           C  
HETATM   19  C   UNL     1       6.173   2.666  -2.490  1.00  0.00           C  
HETATM   20  C   UNL     1       6.836   3.269  -1.438  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.790   0.599   0.164  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.626   3.153   0.769  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.445   2.275   0.031  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.989   1.023  -0.243  1.00  0.00           C  
HETATM   25  S   UNL     1      -1.033   3.443   2.126  1.00  0.00           S  
HETATM   26  C   UNL     1      -2.311   2.663   1.207  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.934   1.379   0.882  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.656   1.068   1.372  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.051   2.053   2.049  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.711   0.676  -1.989  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.487  -0.121  -3.279  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.568  -1.518  -2.990  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.567  -1.987  -2.082  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.744  -1.285  -0.730  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.787   0.167  -0.963  1.00  0.00           N  
HETATM   36  O   UNL     1      -3.997   4.287   1.037  1.00  0.00           O  
HETATM   37  H   UNL     1       1.536  -6.005   0.769  1.00  0.00           H  
HETATM   38  H   UNL     1       1.365  -5.050   2.265  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.854  -5.857   1.476  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.594  -5.039  -0.086  1.00  0.00           H  
HETATM   41  H   UNL     1       1.822   0.572   0.437  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.736  -1.360   1.831  1.00  0.00           H  
HETATM   43  H   UNL     1       3.519   0.327  -0.206  1.00  0.00           H  
HETATM   44  H   UNL     1       5.928  -1.145  -0.145  1.00  0.00           H  
HETATM   45  H   UNL     1       5.294  -1.176  -1.808  1.00  0.00           H  
HETATM   46  H   UNL     1       6.651   0.948   0.865  1.00  0.00           H  
HETATM   47  H   UNL     1       5.138   0.893  -3.127  1.00  0.00           H  
HETATM   48  H   UNL     1       6.055   3.184  -3.430  1.00  0.00           H  
HETATM   49  H   UNL     1       7.238   4.264  -1.560  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.419   2.591  -0.312  1.00  0.00           H  
HETATM   51  H   UNL     1       0.933   1.975   2.490  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.513   1.732  -2.171  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.740   0.549  -1.652  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.253   0.145  -4.009  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.502   0.111  -3.684  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.671  -3.063  -1.950  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.579  -1.761  -2.482  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.676  -1.611  -0.267  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.906  -1.529  -0.078  1.00  0.00           H  
CONECT    1    4    5                                                 
CONECT    2    3    6                                                 
CONECT    3    2    4   37   38                                       
CONECT    4    3    1   39   40                                       
CONECT    5    6    1   10   10                                       
CONECT    6    2    7    7    5                                       
CONECT    7   11    6    6    8                                       
CONECT    8    7    9    9   41                                       
CONECT    9    8    8   10   28                                       
CONECT   10    5    5    9   42                                       
CONECT   11   13   12   12    7                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   43                                            
CONECT   14   17   13   44   45                                       
CONECT   15   20   16   16                                            
CONECT   16   15   15   17   46                                       
CONECT   17   18   18   16   14                                       
CONECT   18   19   17   17   47                                       
CONECT   19   20   20   18   48                                       
CONECT   20   19   19   15   49                                       
CONECT   21   24   27                                                 
CONECT   22   23   26   36   36                                       
CONECT   23   24   24   22   50                                       
CONECT   24   35   21   23   23                                       
CONECT   25   29   26                                                 
CONECT   26   27   27   22   25                                       
CONECT   27   21   28   26   26                                       
CONECT   28    9   27   29   29                                       
CONECT   29   28   28   25   51                                       
CONECT   30   31   35   52   53                                       
CONECT   31   32   30   54   55                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   56   57                                       
CONECT   34   33   35   58   59                                       
CONECT   35   30   34   24                                            
CONECT   36   22   22                                                 
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
