COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1      -0.829  -1.981  -0.503  1.00  0.00           C  
HETATM    2  C   UNK     1      -1.730  -3.052  -0.001  1.00  0.00           C  
HETATM    3  O   UNK     1      -2.823  -2.766   0.443  1.00  0.00           O  
HETATM    4  C   UNK     1      -2.501  -0.265  -0.044  1.00  0.00           C  
HETATM    5  C   UNK     1      -3.040   1.090  -0.235  1.00  0.00           C  
HETATM    6  C   UNK     1      -4.344   1.405   0.205  1.00  0.00           C  
HETATM    7  C   UNK     1      -4.839   2.694   0.017  1.00  0.00           C  
HETATM    8  C   UNK     1      -4.057   3.652  -0.596  1.00  0.00           C  
HETATM    9  C   UNK     1      -2.777   3.344  -1.028  1.00  0.00           C  
HETATM   10  C   UNK     1      -5.175   0.377   0.859  1.00  0.00           C  
HETATM   11  N   UNK     1       6.087   0.942  -1.437  1.00  0.00           N  
HETATM   12  C   UNK     1       5.629   1.006  -0.043  1.00  0.00           C  
HETATM   13  C   UNK     1       6.819   0.958   0.880  1.00  0.00           C  
HETATM   14  O   UNK     1       7.875   0.526   0.482  1.00  0.00           O  
HETATM   15  C   UNK     1       4.711  -0.183   0.246  1.00  0.00           C  
HETATM   16  C   UNK     1       3.443  -0.068  -0.602  1.00  0.00           C  
HETATM   17  C   UNK     1       2.525  -1.257  -0.313  1.00  0.00           C  
HETATM   18  C   UNK     1       1.316  -1.208  -1.249  1.00  0.00           C  
HETATM   19  N   UNK     1       0.379  -2.277  -0.894  1.00  0.00           N  
HETATM   20  O   UNK     1      -1.335  -4.338  -0.038  1.00  0.00           O  
HETATM   21  C   UNK     1      -1.301  -0.592  -0.563  1.00  0.00           C  
HETATM   22  C   UNK     1      -2.264   2.076  -0.848  1.00  0.00           C  
HETATM   23  O   UNK     1      -6.460   0.645   1.166  1.00  0.00           O  
HETATM   24  O   UNK     1      -4.703  -0.711   1.121  1.00  0.00           O  
HETATM   25  H   UNK     1      -3.067  -0.998   0.512  1.00  0.00           H  
HETATM   26  H   UNK     1      -5.836   2.943   0.350  1.00  0.00           H  
HETATM   27  H   UNK     1      -4.447   4.648  -0.744  1.00  0.00           H  
HETATM   28  H   UNK     1      -2.175   4.103  -1.507  1.00  0.00           H  
HETATM   29  H   UNK     1       6.598   0.090  -1.612  1.00  0.00           H  
HETATM   30  H   UNK     1       5.313   1.038  -2.077  1.00  0.00           H  
HETATM   31  H   UNK     1       5.081   1.935   0.117  1.00  0.00           H  
HETATM   32  O   UNK     1       6.706   1.396   2.144  1.00  0.00           O  
HETATM   33  H   UNK     1       5.229  -1.110   0.001  1.00  0.00           H  
HETATM   34  H   UNK     1       4.442  -0.186   1.303  1.00  0.00           H  
HETATM   35  H   UNK     1       2.925   0.860  -0.357  1.00  0.00           H  
HETATM   36  H   UNK     1       3.712  -0.065  -1.659  1.00  0.00           H  
HETATM   37  H   UNK     1       3.072  -2.186  -0.474  1.00  0.00           H  
HETATM   38  H   UNK     1       2.185  -1.210   0.722  1.00  0.00           H  
HETATM   39  H   UNK     1       0.820  -0.242  -1.152  1.00  0.00           H  
HETATM   40  H   UNK     1       1.648  -1.344  -2.279  1.00  0.00           H  
HETATM   41  H   UNK     1      -1.955  -4.998   0.299  1.00  0.00           H  
HETATM   42  H   UNK     1      -0.686   0.167  -1.024  1.00  0.00           H  
HETATM   43  H   UNK     1      -1.265   1.844  -1.187  1.00  0.00           H  
HETATM   44  H   UNK     1      -6.965  -0.060   1.593  1.00  0.00           H  
HETATM   45  H   UNK     1       7.497   1.345   2.698  1.00  0.00           H  
CONECT    1   21   19   19    2                                       
CONECT    2    1    3    3   20                                       
CONECT    3    2    2                                                 
CONECT    4    5   21   21   25                                       
CONECT    5   22   22    6    4                                       
CONECT    6    7    7    5   10                                       
CONECT    7    8    6    6   26                                       
CONECT    8    9    9    7   27                                       
CONECT    9    8    8   22   28                                       
CONECT   10    6   24   24   23                                       
CONECT   11   12   29   30                                            
CONECT   12   13   11   15   31                                       
CONECT   13   12   14   14   32                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   33   34                                       
CONECT   16   15   17   35   36                                       
CONECT   17   16   18   37   38                                       
CONECT   18   17   19   39   40                                       
CONECT   19   18    1    1                                            
CONECT   20    2   41                                                 
CONECT   21    4    4    1   42                                       
CONECT   22    9    5    5   43                                       
CONECT   23   10   44                                                 
CONECT   24   10   10                                                 
CONECT   25    4                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   13   45                                                 
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   32                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
