COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -0.599  -0.676   1.981  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.640   0.036   2.541  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.123  -0.775   0.834  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.661   1.504  -1.314  1.00  0.00           C  
HETATM    5  C   UNL     1       4.246   4.460   0.782  1.00  0.00           C  
HETATM    6  N   UNL     1       4.438   3.103   0.264  1.00  0.00           N  
HETATM    7  N   UNL     1       5.574   2.634  -0.407  1.00  0.00           N  
HETATM    8  C   UNL     1       5.384   1.379  -0.717  1.00  0.00           C  
HETATM    9  C   UNL     1       4.109   1.001  -0.251  1.00  0.00           C  
HETATM   10  C   UNL     1       3.554   2.091   0.356  1.00  0.00           C  
HETATM   11  C   UNL     1       3.487  -0.338  -0.390  1.00  0.00           C  
HETATM   12  N   UNL     1       2.236  -0.521   0.005  1.00  0.00           N  
HETATM   13  C   UNL     1       1.645  -1.703  -0.104  1.00  0.00           C  
HETATM   14  C   UNL     1       2.331  -2.803  -0.644  1.00  0.00           C  
HETATM   15  C   UNL     1       3.648  -2.636  -1.065  1.00  0.00           C  
HETATM   16  C   UNL     1       4.225  -1.388  -0.941  1.00  0.00           C  
HETATM   17  C   UNL     1       0.303  -2.211   0.235  1.00  0.00           C  
HETATM   18  C   UNL     1       0.299  -3.518  -0.116  1.00  0.00           C  
HETATM   19  O   UNL     1       1.491  -3.857  -0.630  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.814  -1.445   0.839  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.083  -1.492   0.265  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.901  -0.016   1.976  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.364  -0.823   0.281  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.856   0.313  -0.280  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.052   1.438  -0.392  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.555   2.591  -0.963  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.858   2.624  -1.423  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.163   0.349  -0.743  1.00  0.00           C  
HETATM   29  H   UNL     1       0.385  -0.634   2.426  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.471   0.634   3.424  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.680   1.533  -1.671  1.00  0.00           H  
HETATM   32  H   UNL     1       4.615   4.514   1.806  1.00  0.00           H  
HETATM   33  H   UNL     1       4.794   5.168   0.160  1.00  0.00           H  
HETATM   34  H   UNL     1       3.185   4.709   0.765  1.00  0.00           H  
HETATM   35  H   UNL     1       6.083   0.743  -1.240  1.00  0.00           H  
HETATM   36  H   UNL     1       2.581   2.133   0.823  1.00  0.00           H  
HETATM   37  H   UNL     1       4.203  -3.462  -1.485  1.00  0.00           H  
HETATM   38  H   UNL     1       5.243  -1.225  -1.263  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.540  -4.189   0.001  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.255  -2.083  -0.622  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.712   0.542   2.418  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.034   1.413  -0.032  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.930   3.467  -1.050  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.249   3.526  -1.870  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.791  -0.526  -0.658  1.00  0.00           H  
CONECT    1   20   20    2   29                                       
CONECT    2   22   22    1   30                                       
CONECT    3   23   21   21   22                                       
CONECT    4   28   28   27   31                                       
CONECT    5    6   32   33   34                                       
CONECT    6    5    7   10                                            
CONECT    7    6    8    8                                            
CONECT    8    7    7    9   35                                       
CONECT    9    8   10   10   11                                       
CONECT   10    6    9    9   36                                       
CONECT   11    9   16   16   12                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   14   17                                       
CONECT   14   15   15   13   19                                       
CONECT   15   16   14   14   37                                       
CONECT   16   11   11   15   38                                       
CONECT   17   13   20   18   18                                       
CONECT   18   17   17   19   39                                       
CONECT   19   14   18                                                 
CONECT   20   21   17    1    1                                       
CONECT   21    3    3   20   40                                       
CONECT   22    3    2    2   41                                       
CONECT   23   24    3                                                 
CONECT   24   28   23   25   25                                       
CONECT   25   24   24   26   42                                       
CONECT   26   27   27   25   43                                       
CONECT   27    4   26   26   44                                       
CONECT   28    4    4   24   45                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
