COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.799  -1.438   0.169  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.701  -0.226   0.156  1.00  0.00           C  
HETATM    3  N   UNL     1       0.515   0.351   0.096  1.00  0.00           N  
HETATM    4  C   UNL     1       1.661  -0.442   0.049  1.00  0.00           C  
HETATM    5  C   UNL     1       1.701  -1.803   0.056  1.00  0.00           C  
HETATM    6  C   UNL     1       3.041  -2.194  -0.003  1.00  0.00           C  
HETATM    7  C   UNL     1       3.544  -3.615  -0.017  1.00  0.00           C  
HETATM    8  C   UNL     1       3.299  -4.229  -1.397  1.00  0.00           C  
HETATM    9  C   UNL     1       5.044  -3.628   0.287  1.00  0.00           C  
HETATM   10  C   UNL     1       2.801  -4.429   1.044  1.00  0.00           C  
HETATM   11  N   UNL     1       3.786  -1.119  -0.045  1.00  0.00           N  
HETATM   12  N   UNL     1       2.946   0.002  -0.019  1.00  0.00           N  
HETATM   13  C   UNL     1       3.355   1.342  -0.054  1.00  0.00           C  
HETATM   14  C   UNL     1       4.533   1.726   0.574  1.00  0.00           C  
HETATM   15  C   UNL     1       2.588   2.287  -0.721  1.00  0.00           C  
HETATM   16  C   UNL     1       2.994   3.607  -0.753  1.00  0.00           C  
HETATM   17  C   UNL     1       4.164   3.987  -0.122  1.00  0.00           C  
HETATM   18  C   UNL     1       4.604   5.428  -0.159  1.00  0.00           C  
HETATM   19  C   UNL     1       4.933   3.047   0.539  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.809   0.540   0.196  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.132  -0.087   0.255  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.210   0.998   0.292  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.536   0.369   0.351  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.581   1.367   0.625  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.935   0.662   0.738  1.00  0.00           C  
HETATM   26  O   UNL     1      -8.188  -0.070  -0.465  1.00  0.00           O  
HETATM   27  C   UNL     1      -7.190  -1.051  -0.762  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.828  -0.363  -0.890  1.00  0.00           C  
HETATM   29  H   UNL     1       0.593   1.317   0.085  1.00  0.00           H  
HETATM   30  H   UNL     1       0.847  -2.463   0.101  1.00  0.00           H  
HETATM   31  H   UNL     1       3.828  -3.649  -2.152  1.00  0.00           H  
HETATM   32  H   UNL     1       3.662  -5.256  -1.407  1.00  0.00           H  
HETATM   33  H   UNL     1       2.230  -4.220  -1.613  1.00  0.00           H  
HETATM   34  H   UNL     1       5.219  -3.190   1.270  1.00  0.00           H  
HETATM   35  H   UNL     1       5.407  -4.655   0.277  1.00  0.00           H  
HETATM   36  H   UNL     1       5.573  -3.047  -0.469  1.00  0.00           H  
HETATM   37  H   UNL     1       1.733  -4.420   0.827  1.00  0.00           H  
HETATM   38  H   UNL     1       3.165  -5.457   1.033  1.00  0.00           H  
HETATM   39  H   UNL     1       2.977  -3.991   2.026  1.00  0.00           H  
HETATM   40  H   UNL     1       5.134   0.993   1.091  1.00  0.00           H  
HETATM   41  H   UNL     1       1.674   1.991  -1.214  1.00  0.00           H  
HETATM   42  H   UNL     1       2.397   4.343  -1.272  1.00  0.00           H  
HETATM   43  H   UNL     1       4.185   5.958   0.696  1.00  0.00           H  
HETATM   44  H   UNL     1       5.692   5.477  -0.118  1.00  0.00           H  
HETATM   45  H   UNL     1       4.254   5.891  -1.081  1.00  0.00           H  
HETATM   46  H   UNL     1       5.849   3.347   1.027  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.731   1.507   0.185  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.277  -0.714  -0.625  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.203  -0.700   1.154  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.065   1.625   1.171  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.139   1.611  -0.607  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.358   1.879   1.561  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.614   2.092  -0.188  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.919  -0.024   1.585  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.720   1.403   0.885  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.153  -1.787   0.041  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.437  -1.548  -1.700  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.850   0.334  -1.727  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.056  -1.114  -1.060  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   20    1    1    3                                       
CONECT    3    2    4   29                                            
CONECT    4    3    5    5   12                                       
CONECT    5    4    4    6   30                                       
CONECT    6    5   11   11    7                                       
CONECT    7   10    6    8    9                                       
CONECT    8    7   31   32   33                                       
CONECT    9    7   34   35   36                                       
CONECT   10    7   37   38   39                                       
CONECT   11   12    6    6                                            
CONECT   12    4   13   11                                            
CONECT   13   15   12   14   14                                       
CONECT   14   13   13   19   40                                       
CONECT   15   16   16   13   41                                       
CONECT   16   15   15   17   42                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   43   44   45                                       
CONECT   19   17   17   14   46                                       
CONECT   20   21    2   47                                            
CONECT   21   22   20   48   49                                       
CONECT   22   23   21   50   51                                       
CONECT   23   28   24   22                                            
CONECT   24   25   23   52   53                                       
CONECT   25   26   24   54   55                                       
CONECT   26   27   25                                                 
CONECT   27   26   28   56   57                                       
CONECT   28   27   23   58   59                                       
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
