COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.233  -0.990  -0.087  1.00  0.00           C  
HETATM    2  C   UNL     1       2.815   0.281   0.041  1.00  0.00           C  
HETATM    3  C   UNL     1       2.024   1.395   0.289  1.00  0.00           C  
HETATM    4  C   UNL     1       2.357  -3.335  -0.460  1.00  0.00           C  
HETATM    5  C   UNL     1       4.284   0.435  -0.089  1.00  0.00           C  
HETATM    6  C   UNL     1       5.158  -0.387   0.628  1.00  0.00           C  
HETATM    7  C   UNL     1       6.518  -0.214   0.473  1.00  0.00           C  
HETATM    8  C   UNL     1       6.204   1.513  -1.027  1.00  0.00           C  
HETATM    9  C   UNL     1       4.832   1.403  -0.936  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.439  -0.809   0.426  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.092   0.980   0.706  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.105   1.390  -0.369  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.800  -0.910  -0.701  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.815  -1.413   0.360  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.307   0.903  -1.251  1.00  0.00           C  
HETATM   16  C   UNL     1       0.649   1.250   0.411  1.00  0.00           C  
HETATM   17  C   UNL     1       0.069  -0.028   0.281  1.00  0.00           C  
HETATM   18  C   UNL     1       0.867  -1.142   0.032  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.391   2.115   0.648  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.515   1.495   0.673  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.370   0.204   0.465  1.00  0.00           C  
HETATM   22  O   UNL     1       3.016  -2.073  -0.336  1.00  0.00           O  
HETATM   23  N   UNL     1       6.995   0.712  -0.337  1.00  0.00           N  
HETATM   24  O   UNL     1      -2.156  -1.988   0.331  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.730  -0.429   0.495  1.00  0.00           N  
HETATM   26  N   UNL     1      -6.234   0.450  -0.356  1.00  0.00           N  
HETATM   27  H   UNL     1       2.477   2.370   0.388  1.00  0.00           H  
HETATM   28  H   UNL     1       3.096  -4.112  -0.657  1.00  0.00           H  
HETATM   29  H   UNL     1       1.829  -3.562   0.465  1.00  0.00           H  
HETATM   30  H   UNL     1       1.645  -3.293  -1.285  1.00  0.00           H  
HETATM   31  H   UNL     1       4.775  -1.147   1.293  1.00  0.00           H  
HETATM   32  H   UNL     1       7.201  -0.844   1.022  1.00  0.00           H  
HETATM   33  H   UNL     1       6.637   2.257  -1.679  1.00  0.00           H  
HETATM   34  H   UNL     1       4.191   2.056  -1.511  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.201   1.603   0.625  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.536   1.103   1.694  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.468   2.397  -0.162  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.626   1.369  -1.347  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.311  -0.899  -1.675  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.666  -1.571  -0.737  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.330  -1.524   1.314  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.402  -2.373   0.050  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.161   0.231  -1.165  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.610   1.913  -0.973  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.946   0.902  -2.279  1.00  0.00           H  
HETATM   46  H   UNL     1       0.419  -2.119  -0.067  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.289   3.071   0.781  1.00  0.00           H  
CONECT    1    2   22   18   18                                       
CONECT    2    5    3    3    1                                       
CONECT    3    2    2   16   27                                       
CONECT    4   22   28   29   30                                       
CONECT    5    6    6    9    2                                       
CONECT    6    7    5    5   31                                       
CONECT    7   23   23    6   32                                       
CONECT    8   23    9    9   33                                       
CONECT    9    8    8    5   34                                       
CONECT   10   21   25   24   24                                       
CONECT   11   25   12   35   36                                       
CONECT   12   11   26   37   38                                       
CONECT   13   14   26   39   40                                       
CONECT   14   25   13   41   42                                       
CONECT   15   26   43   44   45                                       
CONECT   16    3   19   17   17                                       
CONECT   17   16   16   18   21                                       
CONECT   18    1    1   17   46                                       
CONECT   19   16   20   47                                            
CONECT   20   19   21   21                                            
CONECT   21   17   20   20   10                                       
CONECT   22    1    4                                                 
CONECT   23    7    7    8                                            
CONECT   24   10   10                                                 
CONECT   25   14   10   11                                            
CONECT   26   13   12   15                                            
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
