COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.171  -1.640  -0.448  1.00  0.00           O  
HETATM    2  C   UNL     1       2.072  -0.440  -0.302  1.00  0.00           C  
HETATM    3  N   UNL     1       3.178   0.329  -0.276  1.00  0.00           N  
HETATM    4  C   UNL     1       3.204   1.793  -0.100  1.00  0.00           C  
HETATM    5  C   UNL     1       4.611   2.099   0.469  1.00  0.00           C  
HETATM    6  C   UNL     1       5.488   1.076  -0.299  1.00  0.00           C  
HETATM    7  C   UNL     1       4.560  -0.153  -0.414  1.00  0.00           C  
HETATM    8  C   UNL     1       4.872  -1.137   0.683  1.00  0.00           C  
HETATM    9  N   UNL     1       5.302  -2.306   0.391  1.00  0.00           N  
HETATM   10  C   UNL     1       0.712   0.192  -0.154  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.322  -0.850  -0.221  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.664  -0.270  -0.080  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.773   0.443   1.269  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.171   1.047   1.415  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.413   2.052   0.287  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.304   1.339  -1.062  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.906   0.735  -1.209  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.351   0.226  -1.137  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.218  -0.066   1.341  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.109  -0.779  -0.009  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.087  -1.818  -0.078  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.711  -1.383  -0.155  1.00  0.00           C  
HETATM   23  H   UNL     1       3.065   2.293  -1.058  1.00  0.00           H  
HETATM   24  H   UNL     1       2.433   2.103   0.606  1.00  0.00           H  
HETATM   25  H   UNL     1       4.912   3.122   0.239  1.00  0.00           H  
HETATM   26  H   UNL     1       4.647   1.917   1.543  1.00  0.00           H  
HETATM   27  H   UNL     1       5.752   1.457  -1.286  1.00  0.00           H  
HETATM   28  H   UNL     1       6.384   0.831   0.270  1.00  0.00           H  
HETATM   29  H   UNL     1       4.692  -0.627  -1.386  1.00  0.00           H  
HETATM   30  H   UNL     1       4.731  -0.856   1.717  1.00  0.00           H  
HETATM   31  H   UNL     1       5.502  -2.940   1.098  1.00  0.00           H  
HETATM   32  H   UNL     1       0.651   0.703   0.807  1.00  0.00           H  
HETATM   33  H   UNL     1       0.556   0.911  -0.959  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.162  -1.563   0.474  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.600  -0.273   2.073  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.027   1.236   1.322  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.248   1.555   2.377  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.409   2.482   0.391  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.667   2.845   0.340  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.477   2.055  -1.866  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.160   1.528  -1.156  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.829   0.227  -2.170  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.347   0.656  -1.033  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.274  -0.282  -2.098  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.045  -0.781   2.145  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.214   0.365   1.445  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.999  -1.507   0.007  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.634  -1.891  -1.117  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.539  -2.099   0.649  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   10    1    1    3                                       
CONECT    3    2    7    4                                            
CONECT    4    3    5   23   24                                       
CONECT    5    4    6   25   26                                       
CONECT    6    7    5   27   28                                       
CONECT    7    3    8    6   29                                       
CONECT    8    7    9    9   30                                       
CONECT    9    8    8   31                                            
CONECT   10   11    2   32   33                                       
CONECT   11   12   10   34                                            
CONECT   12   22   11   17   13                                       
CONECT   13   12   14   35   36                                       
CONECT   14   19   13   15   37                                       
CONECT   15   16   14   38   39                                       
CONECT   16   18   17   15   40                                       
CONECT   17   12   16   41   42                                       
CONECT   18   20   16   43   44                                       
CONECT   19   20   14   45   46                                       
CONECT   20   21   22   18   19                                       
CONECT   21   20   47                                                 
CONECT   22   20   12   48   49                                       
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
