COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.359   2.635   0.749  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.730   1.407   0.032  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.227   1.435  -0.290  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.506   2.526  -1.170  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.617   0.118  -0.966  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.026   0.103  -1.206  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.242  -1.049  -0.049  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.574  -2.371  -0.743  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.333  -3.455   0.156  1.00  0.00           O  
HETATM   10  O   UNL     1      -2.843  -0.998   0.236  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.428   0.191   0.911  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.947   0.123   1.184  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.003   0.105   0.280  1.00  0.00           N  
HETATM   14  C   UNL     1       1.195   0.041   0.878  1.00  0.00           C  
HETATM   15  C   UNL     1       2.506   0.004   0.185  1.00  0.00           C  
HETATM   16  C   UNL     1       3.671  -0.062   0.926  1.00  0.00           C  
HETATM   17  C   UNL     1       4.909  -0.097   0.265  1.00  0.00           C  
HETATM   18  C   UNL     1       4.944  -0.064  -1.153  1.00  0.00           C  
HETATM   19  C   UNL     1       6.185  -0.100  -1.810  1.00  0.00           C  
HETATM   20  C   UNL     1       7.333  -0.165  -1.082  1.00  0.00           C  
HETATM   21  C   UNL     1       7.299  -0.197   0.311  1.00  0.00           C  
HETATM   22  C   UNL     1       6.115  -0.164   0.983  1.00  0.00           C  
HETATM   23  C   UNL     1       3.740   0.003  -1.877  1.00  0.00           C  
HETATM   24  C   UNL     1       2.553   0.030  -1.219  1.00  0.00           C  
HETATM   25  N   UNL     1       1.016   0.018   2.181  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.371   0.076   2.398  1.00  0.00           N  
HETATM   27  H   UNL     1      -2.549   3.452   0.188  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.829   2.690   1.640  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.158   1.339  -0.893  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.796   1.554   0.632  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.437   2.600  -1.421  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.085   0.023  -1.913  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.344  -0.704  -1.634  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.806  -0.976   0.881  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.622  -2.372  -1.041  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.945  -2.486  -1.627  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.522  -4.326  -0.218  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.967   0.280   1.854  1.00  0.00           H  
HETATM   39  H   UNL     1       3.629  -0.086   2.005  1.00  0.00           H  
HETATM   40  H   UNL     1       6.228  -0.076  -2.889  1.00  0.00           H  
HETATM   41  H   UNL     1       8.285  -0.192  -1.591  1.00  0.00           H  
HETATM   42  H   UNL     1       8.224  -0.249   0.865  1.00  0.00           H  
HETATM   43  H   UNL     1       6.103  -0.189   2.063  1.00  0.00           H  
HETATM   44  H   UNL     1       3.760   0.029  -2.957  1.00  0.00           H  
HETATM   45  H   UNL     1       1.632   0.077  -1.781  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.824   0.080   3.256  1.00  0.00           H  
CONECT    1    2   27   28                                            
CONECT    2    3    1   11   29                                       
CONECT    3    4    5    2   30                                       
CONECT    4    3   31                                                 
CONECT    5    6    3    7   32                                       
CONECT    6    5   33                                                 
CONECT    7    5    8   10   34                                       
CONECT    8    9    7   35   36                                       
CONECT    9    8   37                                                 
CONECT   10    7   11                                                 
CONECT   11    2   10   12   38                                       
CONECT   12   11   26   13   13                                       
CONECT   13   12   12   14                                            
CONECT   14   25   25   13   15                                       
CONECT   15   14   16   16   24                                       
CONECT   16   15   15   17   39                                       
CONECT   17   16   22   22   18                                       
CONECT   18   17   23   19   19                                       
CONECT   19   18   18   20   40                                       
CONECT   20   21   21   19   41                                       
CONECT   21   22   20   20   42                                       
CONECT   22   17   17   21   43                                       
CONECT   23   24   24   18   44                                       
CONECT   24   15   23   23   45                                       
CONECT   25   26   14   14                                            
CONECT   26   12   25   46                                            
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   16                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
