COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.163   4.055   0.727  1.00  0.00           C  
HETATM    2  C   UNL     1       4.305   3.752  -0.503  1.00  0.00           C  
HETATM    3  C   UNL     1       3.217   4.819  -0.641  1.00  0.00           C  
HETATM    4  O   UNL     1       5.128   3.757  -1.671  1.00  0.00           O  
HETATM    5  C   UNL     1       3.653   2.377  -0.344  1.00  0.00           C  
HETATM    6  O   UNL     1       4.663   1.397  -0.099  1.00  0.00           O  
HETATM    7  C   UNL     1       4.249   0.112   0.067  1.00  0.00           C  
HETATM    8  C   UNL     1       2.903  -0.196  -0.005  1.00  0.00           C  
HETATM    9  C   UNL     1       5.182  -0.895   0.304  1.00  0.00           C  
HETATM   10  O   UNL     1       6.506  -0.592   0.370  1.00  0.00           O  
HETATM   11  C   UNL     1       7.407  -1.673   0.615  1.00  0.00           C  
HETATM   12  C   UNL     1       4.763  -2.207   0.473  1.00  0.00           C  
HETATM   13  C   UNL     1       3.421  -2.519   0.407  1.00  0.00           C  
HETATM   14  C   UNL     1       2.482  -1.515   0.165  1.00  0.00           C  
HETATM   15  C   UNL     1       1.043  -1.849   0.095  1.00  0.00           C  
HETATM   16  N   UNL     1       0.081  -0.999  -0.124  1.00  0.00           N  
HETATM   17  S   UNL     1       0.357  -3.460   0.287  1.00  0.00           S  
HETATM   18  C   UNL     1      -1.258  -2.795   0.046  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.546  -3.576   0.058  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.862  -4.061  -1.358  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.169  -4.855  -1.346  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.142  -1.478  -0.153  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.341  -0.596  -0.392  1.00  0.00           C  
HETATM   24  S   UNL     1      -2.961   0.023   1.191  1.00  0.00           S  
HETATM   25  C   UNL     1      -4.319   0.994   0.630  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.118   1.683   1.539  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.594   1.083  -0.670  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.610   1.815  -1.100  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.860   1.888  -2.459  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.390   2.484  -0.264  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.179   2.438   1.050  1.00  0.00           C  
HETATM   32  N   UNL     1      -7.000   3.140   1.918  1.00  0.00           N  
HETATM   33  H   UNL     1       4.535   4.051   1.618  1.00  0.00           H  
HETATM   34  H   UNL     1       5.938   3.295   0.826  1.00  0.00           H  
HETATM   35  H   UNL     1       5.627   5.035   0.614  1.00  0.00           H  
HETATM   36  H   UNL     1       3.681   5.799  -0.754  1.00  0.00           H  
HETATM   37  H   UNL     1       2.605   4.604  -1.517  1.00  0.00           H  
HETATM   38  H   UNL     1       2.589   4.816   0.250  1.00  0.00           H  
HETATM   39  H   UNL     1       4.649   3.572  -2.490  1.00  0.00           H  
HETATM   40  H   UNL     1       2.957   2.400   0.495  1.00  0.00           H  
HETATM   41  H   UNL     1       3.114   2.123  -1.257  1.00  0.00           H  
HETATM   42  H   UNL     1       2.179   0.584  -0.192  1.00  0.00           H  
HETATM   43  H   UNL     1       7.165  -2.138   1.571  1.00  0.00           H  
HETATM   44  H   UNL     1       7.315  -2.411  -0.182  1.00  0.00           H  
HETATM   45  H   UNL     1       8.429  -1.295   0.644  1.00  0.00           H  
HETATM   46  H   UNL     1       5.489  -2.985   0.656  1.00  0.00           H  
HETATM   47  H   UNL     1       3.098  -3.541   0.539  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.444  -4.435   0.721  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.355  -2.938   0.412  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.964  -3.202  -2.022  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.052  -4.699  -1.713  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.067  -5.714  -0.683  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.979  -4.216  -0.992  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.394  -5.200  -2.355  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.054   0.244  -1.024  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.122  -1.173  -0.888  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.918   1.633   2.600  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.599   2.423  -2.788  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.297   1.403  -3.083  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.734   3.671   1.569  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.841   3.102   2.874  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    5    4    3    1                                       
CONECT    3    2   36   37   38                                       
CONECT    4    2   39                                                 
CONECT    5    6    2   40   41                                       
CONECT    6    7    5                                                 
CONECT    7    9    9    8    6                                       
CONECT    8   14   14    7   42                                       
CONECT    9   12   10    7    7                                       
CONECT   10   11    9                                                 
CONECT   11   10   43   44   45                                       
CONECT   12   13   13    9   46                                       
CONECT   13   12   12   14   47                                       
CONECT   14   13   15    8    8                                       
CONECT   15   17   14   16   16                                       
CONECT   16   15   15   22                                            
CONECT   17   18   15                                                 
CONECT   18   19   17   22   22                                       
CONECT   19   20   18   48   49                                       
CONECT   20   21   19   50   51                                       
CONECT   21   20   52   53   54                                       
CONECT   22   18   18   16   23                                       
CONECT   23   24   22   55   56                                       
CONECT   24   25   23                                                 
CONECT   25   27   27   26   24                                       
CONECT   26   31   31   25   57                                       
CONECT   27   28   25   25                                            
CONECT   28   29   30   30   27                                       
CONECT   29   28   58   59                                            
CONECT   30   28   28   31                                            
CONECT   31   30   32   26   26                                       
CONECT   32   31   60   61                                            
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   26                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
