COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.969  -1.167   2.203  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.615  -0.633   1.172  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.249   0.548   0.549  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.328   1.353   0.878  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.671   2.413   0.054  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.946   2.672  -1.094  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.865   1.874  -1.436  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.509   0.812  -0.621  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.450  -0.218  -0.670  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.604  -0.324  -1.535  1.00  0.00           O  
HETATM   11  N   UNL     1      -2.575  -1.013   0.407  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.697  -2.147   0.707  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.766  -3.161  -0.436  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.258  -1.651   0.863  1.00  0.00           C  
HETATM   15  O   UNL     1       0.205  -1.134  -0.386  1.00  0.00           O  
HETATM   16  C   UNL     1       1.475  -0.649  -0.420  1.00  0.00           C  
HETATM   17  C   UNL     1       2.531  -1.491  -0.737  1.00  0.00           C  
HETATM   18  C   UNL     1       2.270  -2.943  -1.044  1.00  0.00           C  
HETATM   19  C   UNL     1       3.820  -0.998  -0.772  1.00  0.00           C  
HETATM   20  C   UNL     1       1.714   0.689  -0.144  1.00  0.00           C  
HETATM   21  C   UNL     1       0.566   1.605   0.195  1.00  0.00           C  
HETATM   22  C   UNL     1       3.004   1.182  -0.178  1.00  0.00           C  
HETATM   23  C   UNL     1       4.060   0.339  -0.489  1.00  0.00           C  
HETATM   24  O   UNL     1       5.330   0.824  -0.523  1.00  0.00           O  
HETATM   25  C   UNL     1       5.876   1.185   0.649  1.00  0.00           C  
HETATM   26  O   UNL     1       5.284   0.976   1.681  1.00  0.00           O  
HETATM   27  C   UNL     1       7.227   1.851   0.677  1.00  0.00           C  
HETATM   28  H   UNL     1      -5.899   1.156   1.773  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.512   3.041   0.309  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.223   3.500  -1.729  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.302   2.081  -2.335  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.020  -2.622   1.634  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.113  -4.005  -0.213  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.791  -3.515  -0.547  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.443  -2.687  -1.363  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.225  -0.864   1.617  1.00  0.00           H  
HETATM   37  H   UNL     1       0.380  -2.478   1.173  1.00  0.00           H  
HETATM   38  H   UNL     1       2.093  -3.062  -2.113  1.00  0.00           H  
HETATM   39  H   UNL     1       3.136  -3.537  -0.751  1.00  0.00           H  
HETATM   40  H   UNL     1       1.394  -3.280  -0.490  1.00  0.00           H  
HETATM   41  H   UNL     1       4.642  -1.654  -1.019  1.00  0.00           H  
HETATM   42  H   UNL     1       0.403   1.600   1.273  1.00  0.00           H  
HETATM   43  H   UNL     1       0.801   2.618  -0.132  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.336   1.260  -0.310  1.00  0.00           H  
HETATM   45  H   UNL     1       3.190   2.224   0.037  1.00  0.00           H  
HETATM   46  H   UNL     1       7.187   2.780   0.108  1.00  0.00           H  
HETATM   47  H   UNL     1       7.504   2.069   1.709  1.00  0.00           H  
HETATM   48  H   UNL     1       7.970   1.186   0.235  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    3    4    2    8    8                                       
CONECT    4    5    5    3   28                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5    7    7   30                                       
CONECT    7    6    6    8   31                                       
CONECT    8    3    3    7    9                                       
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    2   12    9                                            
CONECT   12   11   14   13   32                                       
CONECT   13   12   33   34   35                                       
CONECT   14   12   15   36   37                                       
CONECT   15   14   16                                                 
CONECT   16   15   20   20   17                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   38   39   40                                       
CONECT   19   17   17   23   41                                       
CONECT   20   21   16   16   22                                       
CONECT   21   20   42   43   44                                       
CONECT   22   20   23   23   45                                       
CONECT   23   22   22   19   24                                       
CONECT   24   23   25                                                 
CONECT   25   27   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   25   46   47   48                                       
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
