COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.535  -0.951   1.451  1.00  0.00           O  
HETATM    2  C   UNL     1       5.290  -1.065   0.244  1.00  0.00           C  
HETATM    3  C   UNL     1       4.337  -1.103  -0.953  1.00  0.00           C  
HETATM    4  N   UNL     1       3.632   0.177  -1.056  1.00  0.00           N  
HETATM    5  C   UNL     1       4.200   1.265  -1.855  1.00  0.00           C  
HETATM    6  C   UNL     1       2.417   0.360  -0.391  1.00  0.00           C  
HETATM    7  C   UNL     1       1.746   1.573  -0.488  1.00  0.00           C  
HETATM    8  C   UNL     1       0.545   1.751   0.171  1.00  0.00           C  
HETATM    9  C   UNL     1       1.873  -0.672   0.363  1.00  0.00           C  
HETATM   10  C   UNL     1       0.672  -0.488   1.019  1.00  0.00           C  
HETATM   11  C   UNL     1       0.010   0.723   0.926  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.300   0.921   1.643  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.994  -0.368   1.752  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.621  -0.882   0.622  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.757  -2.244   0.415  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.385  -2.702  -0.727  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.878  -1.810  -1.667  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.751  -0.449  -1.475  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.122   0.026  -0.327  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.964   1.469  -0.070  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.588   2.282  -0.725  1.00  0.00           O  
HETATM   22  N   UNL     1      -2.121   1.875   0.897  1.00  0.00           N  
HETATM   23  H   UNL     1       5.076  -0.922   2.252  1.00  0.00           H  
HETATM   24  H   UNL     1       5.957  -0.207   0.150  1.00  0.00           H  
HETATM   25  H   UNL     1       5.879  -1.982   0.268  1.00  0.00           H  
HETATM   26  H   UNL     1       4.906  -1.278  -1.865  1.00  0.00           H  
HETATM   27  H   UNL     1       3.614  -1.906  -0.815  1.00  0.00           H  
HETATM   28  H   UNL     1       3.837   1.190  -2.881  1.00  0.00           H  
HETATM   29  H   UNL     1       3.899   2.223  -1.432  1.00  0.00           H  
HETATM   30  H   UNL     1       5.288   1.190  -1.849  1.00  0.00           H  
HETATM   31  H   UNL     1       2.164   2.376  -1.077  1.00  0.00           H  
HETATM   32  H   UNL     1       0.024   2.694   0.096  1.00  0.00           H  
HETATM   33  H   UNL     1       2.389  -1.618   0.436  1.00  0.00           H  
HETATM   34  H   UNL     1       0.249  -1.290   1.605  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.376  -2.944   1.143  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.492  -3.764  -0.890  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.365  -2.182  -2.556  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.137   0.242  -2.210  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.056   2.819   1.106  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.109   1.313   2.642  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.015  -0.850   2.593  1.00  0.00           H  
CONECT    1    2   23                                                 
CONECT    2    3    1   24   25                                       
CONECT    3    4    2   26   27                                       
CONECT    4    6    5    3                                            
CONECT    5    4   28   29   30                                       
CONECT    6    7    7    9    4                                       
CONECT    7    8    6    6   31                                       
CONECT    8   11   11    7   32                                       
CONECT    9   10   10    6   33                                       
CONECT   10   11    9    9   34                                       
CONECT   11   12    8    8   10                                       
CONECT   12   22   13   11   40                                       
CONECT   13   14   12   41                                            
CONECT   14   19   19   15   13                                       
CONECT   15   16   16   14   35                                       
CONECT   16   17   15   15   36                                       
CONECT   17   18   18   16   37                                       
CONECT   18   17   17   19   38                                       
CONECT   19   18   20   14   14                                       
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   12   39                                            
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   22                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
