COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.949   0.809   0.298  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.353   0.415   0.075  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.346   1.391  -0.034  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.986   2.851   0.075  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.657   1.016  -0.242  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.989  -0.323  -0.343  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.424  -0.725  -0.571  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.011  -1.295  -0.236  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.695  -0.935  -0.033  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.630  -1.995   0.083  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.014  -0.091   0.286  1.00  0.00           N  
HETATM   12  N   UNL     1      -0.679   0.284   0.492  1.00  0.00           N  
HETATM   13  C   UNL     1       0.292  -0.650   0.480  1.00  0.00           C  
HETATM   14  O   UNL     1       0.011  -1.815   0.291  1.00  0.00           O  
HETATM   15  C   UNL     1       1.727  -0.248   0.701  1.00  0.00           C  
HETATM   16  N   UNL     1       2.507  -1.422   1.115  1.00  0.00           N  
HETATM   17  C   UNL     1       2.305   0.315  -0.599  1.00  0.00           C  
HETATM   18  C   UNL     1       3.699   0.830  -0.348  1.00  0.00           C  
HETATM   19  C   UNL     1       4.043   2.096  -0.064  1.00  0.00           C  
HETATM   20  N   UNL     1       5.398   2.186   0.100  1.00  0.00           N  
HETATM   21  C   UNL     1       5.974   0.948  -0.079  1.00  0.00           C  
HETATM   22  C   UNL     1       7.285   0.485  -0.027  1.00  0.00           C  
HETATM   23  C   UNL     1       7.550  -0.847  -0.257  1.00  0.00           C  
HETATM   24  C   UNL     1       6.521  -1.735  -0.541  1.00  0.00           C  
HETATM   25  C   UNL     1       5.226  -1.301  -0.598  1.00  0.00           C  
HETATM   26  C   UNL     1       4.934   0.043  -0.361  1.00  0.00           C  
HETATM   27  H   UNL     1      -2.699   1.846   0.466  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.750   3.242  -0.914  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.829   3.403   0.492  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.120   2.964   0.728  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.426   1.770  -0.327  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.619  -0.783  -1.641  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.605  -1.698  -0.115  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.085   0.016  -0.120  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.277  -2.339  -0.319  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.140  -2.125  -0.881  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.894  -1.690   0.827  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.087  -2.936   0.389  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.455   1.215   0.643  1.00  0.00           H  
HETATM   40  H   UNL     1       1.775   0.513   1.479  1.00  0.00           H  
HETATM   41  H   UNL     1       2.478  -2.143   0.410  1.00  0.00           H  
HETATM   42  H   UNL     1       3.459  -1.166   1.332  1.00  0.00           H  
HETATM   43  H   UNL     1       2.339  -0.472  -1.353  1.00  0.00           H  
HETATM   44  H   UNL     1       1.675   1.130  -0.954  1.00  0.00           H  
HETATM   45  H   UNL     1       3.352   2.922   0.022  1.00  0.00           H  
HETATM   46  H   UNL     1       5.882   3.000   0.311  1.00  0.00           H  
HETATM   47  H   UNL     1       8.092   1.167   0.193  1.00  0.00           H  
HETATM   48  H   UNL     1       8.568  -1.205  -0.216  1.00  0.00           H  
HETATM   49  H   UNL     1       6.746  -2.775  -0.725  1.00  0.00           H  
HETATM   50  H   UNL     1       4.431  -1.997  -0.820  1.00  0.00           H  
CONECT    1    2   11   11   27                                       
CONECT    2    9    1    3    3                                       
CONECT    3    2    2    5    4                                       
CONECT    4    3   28   29   30                                       
CONECT    5    6    6    3   31                                       
CONECT    6    8    7    5    5                                       
CONECT    7    6   32   33   34                                       
CONECT    8    9    9    6   35                                       
CONECT    9   10    8    8    2                                       
CONECT   10    9   36   37   38                                       
CONECT   11    1    1   12                                            
CONECT   12   11   13   39                                            
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   17   40                                       
CONECT   16   15   41   42                                            
CONECT   17   15   18   43   44                                       
CONECT   18   26   17   19   19                                       
CONECT   19   18   18   20   45                                       
CONECT   20   21   19   46                                            
CONECT   21   26   26   22   20                                       
CONECT   22   23   23   21   47                                       
CONECT   23   24   22   22   48                                       
CONECT   24   25   25   23   49                                       
CONECT   25   24   24   26   50                                       
CONECT   26   25   18   21   21                                       
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
