COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.203   2.353  -1.978  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.425   1.476  -1.291  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.704   0.370  -0.425  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.781   0.427   0.462  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.044  -0.641   1.293  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.248  -1.773   1.248  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.183  -1.845   0.372  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.904  -0.780  -0.471  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.858  -0.849  -1.333  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.830  -0.181  -0.755  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.643   0.023  -1.449  1.00  0.00           C  
HETATM   12  C   UNL     1       0.382   0.715  -0.813  1.00  0.00           C  
HETATM   13  N   UNL     1       0.194   1.149   0.430  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.948   0.940   1.053  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.943   0.289   0.484  1.00  0.00           N  
HETATM   16  O   UNL     1       1.558   0.938  -1.448  1.00  0.00           O  
HETATM   17  C   UNL     1       2.395   1.503  -0.538  1.00  0.00           C  
HETATM   18  C   UNL     1       2.550   2.879  -0.495  1.00  0.00           C  
HETATM   19  C   UNL     1       3.402   3.451   0.431  1.00  0.00           C  
HETATM   20  C   UNL     1       4.100   2.656   1.322  1.00  0.00           C  
HETATM   21  C   UNL     1       3.951   1.284   1.294  1.00  0.00           C  
HETATM   22  C   UNL     1       3.095   0.697   0.366  1.00  0.00           C  
HETATM   23  C   UNL     1       2.931  -0.777   0.331  1.00  0.00           C  
HETATM   24  C   UNL     1       3.563  -1.560  -0.735  1.00  0.00           C  
HETATM   25  O   UNL     1       4.222  -1.001  -1.591  1.00  0.00           O  
HETATM   26  O   UNL     1       3.414  -2.900  -0.766  1.00  0.00           O  
HETATM   27  C   UNL     1       4.041  -3.676  -1.821  1.00  0.00           C  
HETATM   28  C   UNL     1       2.196  -1.400   1.286  1.00  0.00           C  
HETATM   29  O   UNL     1       1.615  -0.680   2.266  1.00  0.00           O  
HETATM   30  C   UNL     1       0.828  -1.347   3.288  1.00  0.00           C  
HETATM   31  H   UNL     1      -6.405   1.308   0.500  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.875  -0.594   1.982  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.462  -2.606   1.903  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.568  -2.732   0.343  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.520  -0.346  -2.456  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.072   1.310   2.060  1.00  0.00           H  
HETATM   37  H   UNL     1       2.007   3.504  -1.188  1.00  0.00           H  
HETATM   38  H   UNL     1       3.522   4.524   0.459  1.00  0.00           H  
HETATM   39  H   UNL     1       4.764   3.111   2.043  1.00  0.00           H  
HETATM   40  H   UNL     1       4.497   0.667   1.992  1.00  0.00           H  
HETATM   41  H   UNL     1       3.661  -3.346  -2.789  1.00  0.00           H  
HETATM   42  H   UNL     1       5.121  -3.532  -1.786  1.00  0.00           H  
HETATM   43  H   UNL     1       3.810  -4.732  -1.682  1.00  0.00           H  
HETATM   44  H   UNL     1       2.077  -2.473   1.261  1.00  0.00           H  
HETATM   45  H   UNL     1       0.441  -0.607   3.988  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.003  -1.874   2.820  1.00  0.00           H  
HETATM   47  H   UNL     1       1.456  -2.060   3.822  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6   32                                       
CONECT    6    5    5    7   33                                       
CONECT    7    6    8    8   34                                       
CONECT    8    3    7    7    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   35                                       
CONECT   12   11   13   13   16                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   15   36                                       
CONECT   15   10   14   14                                            
CONECT   16   12   17                                                 
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   37                                       
CONECT   19   18   20   20   38                                       
CONECT   20   19   19   21   39                                       
CONECT   21   20   22   22   40                                       
CONECT   22   17   21   21   23                                       
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27                                                 
CONECT   27   26   41   42   43                                       
CONECT   28   23   23   29   44                                       
CONECT   29   28   30                                                 
CONECT   30   29   45   46   47                                       
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   27                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   30                                                      
CONECT   46   30                                                      
CONECT   47   30                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
