COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.841   1.473   1.281  1.00  0.00           C  
HETATM    2  C   UNL     1       6.618   0.713   0.837  1.00  0.00           C  
HETATM    3  C   UNL     1       5.351   1.218   1.020  1.00  0.00           C  
HETATM    4  C   UNL     1       4.351   0.417   0.567  1.00  0.00           C  
HETATM    5  C   UNL     1       2.089  -0.263   0.105  1.00  0.00           C  
HETATM    6  C   UNL     1       1.735  -2.295  -0.926  1.00  0.00           C  
HETATM    7  C   UNL     1       0.373  -2.070  -0.888  1.00  0.00           C  
HETATM    8  N   UNL     1       2.981   0.666   0.616  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.591  -3.084  -1.446  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.091  -0.885  -0.311  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.703   0.683   0.397  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.777   0.941  -0.669  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.805   2.377  -1.194  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.429   2.839  -1.436  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.859   1.393   0.482  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.263   0.848   0.755  1.00  0.00           C  
HETATM   17  N   UNL     1       2.557  -1.383  -0.427  1.00  0.00           N  
HETATM   18  C   UNL     1      -7.487  -0.961   1.801  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.405  -1.413   0.650  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.001  -0.868   0.377  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.926  -0.020  -1.511  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.449  -0.618  -0.251  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.366   3.195  -1.623  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.106   0.420  -0.322  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.158  -0.440   1.454  1.00  0.00           N  
HETATM   26  N   UNL     1       0.790  -0.012   0.166  1.00  0.00           N  
HETATM   27  S   UNL     1       5.135  -0.971  -0.082  1.00  0.00           S  
HETATM   28  N   UNL     1       6.712  -0.448   0.258  1.00  0.00           N  
HETATM   29  H   UNL     1       8.087   1.199   2.307  1.00  0.00           H  
HETATM   30  H   UNL     1       8.679   1.226   0.629  1.00  0.00           H  
HETATM   31  H   UNL     1       7.643   2.543   1.229  1.00  0.00           H  
HETATM   32  H   UNL     1       5.166   2.175   1.487  1.00  0.00           H  
HETATM   33  H   UNL     1       2.127  -3.204  -1.357  1.00  0.00           H  
HETATM   34  H   UNL     1       2.652   1.490   1.008  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.874  -3.787  -0.661  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.481  -2.575  -1.815  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.116  -3.625  -2.264  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.859   1.369   0.338  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.104   0.594   1.407  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.370   2.412  -2.126  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.281   3.024  -0.457  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.934   2.335  -0.062  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.343   1.560   1.428  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.813   1.555   1.376  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.788   0.708  -0.190  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.071  -1.103   0.891  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.381  -1.915   2.317  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.997  -0.250   2.452  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.921  -1.579  -0.296  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.331  -2.355   1.194  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.476  -0.727   1.322  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.451  -1.575  -0.244  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.518  -0.704  -2.120  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.141   0.479  -2.080  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2   28   28    3    1                                       
CONECT    3    4    4    2   32                                       
CONECT    4   27    8    3    3                                       
CONECT    5   26   26   17    8                                       
CONECT    6    7   17   17   33                                       
CONECT    7    9   10   10    6                                       
CONECT    8    5    4   34                                            
CONECT    9    7   35   36   37                                       
CONECT   10   22    7    7   26                                       
CONECT   11   12   22   38   39                                       
CONECT   12   13   24   21   11                                       
CONECT   13   14   12   40   41                                       
CONECT   14   23   23   23   13                                       
CONECT   15   16   24   42   43                                       
CONECT   16   25   15   44   45                                       
CONECT   17    6    6    5                                            
CONECT   18   25   46   47   48                                       
CONECT   19   25   20   49   50                                       
CONECT   20   19   24   51   52                                       
CONECT   21   12   22   53   54                                       
CONECT   22   21   11   10                                            
CONECT   23   14   14   14                                            
CONECT   24   15   20   12                                            
CONECT   25   18   16   19                                            
CONECT   26   10    5    5                                            
CONECT   27   28    4                                                 
CONECT   28   27    2    2                                            
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
