COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.747   0.388  -2.395  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.132   1.085  -0.527  1.00  0.00           N  
HETATM    3  O   UNL     1      -0.544  -0.609  -1.743  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.639   1.475  -1.851  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.500  -2.133   0.397  1.00  0.00           C  
HETATM    6  O   UNL     1       2.384   2.838   0.928  1.00  0.00           O  
HETATM    7  C   UNL     1       7.126  -1.756   0.122  1.00  0.00           C  
HETATM    8  C   UNL     1       6.181  -2.757  -0.053  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.357  -0.805  -0.576  1.00  0.00           C  
HETATM   10  C   UNL     1       6.734  -0.467   0.350  1.00  0.00           C  
HETATM   11  C   UNL     1       4.834  -2.471  -0.005  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.283  -0.136  -1.120  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.497  -0.459   1.643  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.223   0.868   1.680  1.00  0.00           C  
HETATM   15  C   UNL     1       4.617   1.077   0.620  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.213   2.124   0.795  1.00  0.00           C  
HETATM   17  N   UNL     1       0.912   1.200   0.633  1.00  0.00           N  
HETATM   18  O   UNL     1      -6.534  -1.631   1.323  1.00  0.00           O  
HETATM   19  O   UNL     1       3.196  -0.593   0.317  1.00  0.00           O  
HETATM   20  C   UNL     1       2.177   1.657   0.718  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.467  -0.968   0.802  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.509   1.367   0.658  1.00  0.00           C  
HETATM   23  C   UNL     1       3.306   0.730   0.555  1.00  0.00           C  
HETATM   24  C   UNL     1       5.373  -0.155   0.402  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.405   0.222   1.103  1.00  0.00           C  
HETATM   26  C   UNL     1       4.411  -1.166   0.220  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.296   0.385  -0.290  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.174   0.531  -3.600  1.00  0.00           O  
HETATM   29  H   UNL     1      -1.073   2.402  -1.769  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.483   1.623  -2.524  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.021  -2.838  -0.282  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.297  -2.640   0.943  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.920  -1.306  -0.174  1.00  0.00           H  
HETATM   34  H   UNL     1       8.178  -1.997   0.081  1.00  0.00           H  
HETATM   35  H   UNL     1       6.505  -3.773  -0.229  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.121  -1.207  -1.225  1.00  0.00           H  
HETATM   37  H   UNL     1       7.474   0.308   0.490  1.00  0.00           H  
HETATM   38  H   UNL     1       4.108  -3.259  -0.144  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.207  -0.016  -2.190  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.580  -0.592   2.712  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.976   0.937   2.729  1.00  0.00           H  
HETATM   42  H   UNL     1       5.020   2.064   0.796  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.166   2.585   1.782  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.162   2.898   0.029  1.00  0.00           H  
HETATM   45  H   UNL     1       0.747   0.259   0.465  1.00  0.00           H  
HETATM   46  H   UNL     1       0.393  -0.190  -3.905  1.00  0.00           H  
CONECT    1    4    3    3   28                                       
CONECT    2   27    4   22                                            
CONECT    3    1    1                                                 
CONECT    4    1    2   29   30                                       
CONECT    5   18   31   32   33                                       
CONECT    6   20   20                                                 
CONECT    7   10   10    8   34                                       
CONECT    8    7   11   11   35                                       
CONECT    9   21   21   12   36                                       
CONECT   10    7    7   24   37                                       
CONECT   11    8    8   26   38                                       
CONECT   12    9   27   27   39                                       
CONECT   13   21   25   25   40                                       
CONECT   14   25   22   22   41                                       
CONECT   15   23   23   24   42                                       
CONECT   16   22   17   43   44                                       
CONECT   17   16   20   45                                            
CONECT   18    5   21                                                 
CONECT   19   23   26                                                 
CONECT   20    6    6   17   23                                       
CONECT   21    9    9   13   18                                       
CONECT   22    2   14   14   16                                       
CONECT   23   15   15   19   20                                       
CONECT   24   10   15   26   26                                       
CONECT   25   13   13   14   27                                       
CONECT   26   11   19   24   24                                       
CONECT   27    2   12   12   25                                       
CONECT   28    1   46                                                 
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
