COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.517  -3.176  -0.793  1.00  0.00           C  
HETATM    2  O   UNL     1       3.318  -2.453  -0.505  1.00  0.00           O  
HETATM    3  C   UNL     1       3.439  -1.122  -0.295  1.00  0.00           C  
HETATM    4  N   UNL     1       4.562  -0.453  -0.341  1.00  0.00           N  
HETATM    5  C   UNL     1       4.319   0.859  -0.089  1.00  0.00           C  
HETATM    6  C   UNL     1       5.130   1.994  -0.013  1.00  0.00           C  
HETATM    7  C   UNL     1       4.531   3.207   0.274  1.00  0.00           C  
HETATM    8  C   UNL     1       3.162   3.261   0.475  1.00  0.00           C  
HETATM    9  N   UNL     1       2.414   2.178   0.400  1.00  0.00           N  
HETATM   10  C   UNL     1       2.936   0.994   0.128  1.00  0.00           C  
HETATM   11  N   UNL     1       2.405  -0.276  -0.008  1.00  0.00           N  
HETATM   12  C   UNL     1       1.052  -0.628   0.117  1.00  0.00           C  
HETATM   13  C   UNL     1       0.647  -1.468   1.145  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.684  -1.815   1.269  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.617  -1.324   0.365  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.966  -1.674   0.491  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.956  -0.738   0.218  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.292  -1.125   0.224  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.267  -0.183  -0.049  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.872   1.120  -0.321  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.900   2.180  -0.623  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.528   1.435  -0.311  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.620   0.517  -0.042  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.211  -0.483  -0.663  1.00  0.00           C  
HETATM   25  C   UNL     1       0.119  -0.132  -0.784  1.00  0.00           C  
HETATM   26  H   UNL     1       4.973  -2.777  -1.699  1.00  0.00           H  
HETATM   27  H   UNL     1       5.212  -3.073   0.040  1.00  0.00           H  
HETATM   28  H   UNL     1       4.279  -4.229  -0.939  1.00  0.00           H  
HETATM   29  H   UNL     1       6.196   1.926  -0.174  1.00  0.00           H  
HETATM   30  H   UNL     1       5.127   4.105   0.340  1.00  0.00           H  
HETATM   31  H   UNL     1       2.697   4.210   0.699  1.00  0.00           H  
HETATM   32  H   UNL     1       1.372  -1.851   1.848  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.999  -2.469   2.069  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.209  -2.571   0.769  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.564  -2.148   0.440  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.313  -0.454  -0.051  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.208   2.663   0.304  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.469   2.923  -1.294  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.766   1.720  -1.099  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.216   2.447  -0.522  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.936  -0.101  -1.366  1.00  0.00           H  
HETATM   42  H   UNL     1       0.435   0.524  -1.581  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    3    1                                                 
CONECT    3    4    4   11    2                                       
CONECT    4    5    3    3                                            
CONECT    5    6    4   10   10                                       
CONECT    6    7    7    5   29                                       
CONECT    7    6    6    8   30                                       
CONECT    8    7    9    9   31                                       
CONECT    9    8    8   10                                            
CONECT   10    5    5    9   11                                       
CONECT   11   10    3   12                                            
CONECT   12   11   13   13   25                                       
CONECT   13   12   12   14   32                                       
CONECT   14   13   15   15   33                                       
CONECT   15   14   14   24   16                                       
CONECT   16   15   17   34                                            
CONECT   17   23   16   18   18                                       
CONECT   18   17   17   19   35                                       
CONECT   19   20   20   18   36                                       
CONECT   20   22   21   19   19                                       
CONECT   21   20   37   38   39                                       
CONECT   22   23   23   20   40                                       
CONECT   23   22   22   17                                            
CONECT   24   25   25   15   41                                       
CONECT   25   12   24   24   42                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
