COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.161   1.866   0.417  1.00  0.00           C  
HETATM    2  C   UNL     1       4.941   0.414   0.079  1.00  0.00           C  
HETATM    3  N   UNL     1       5.970  -0.386  -0.146  1.00  0.00           N  
HETATM    4  C   UNL     1       5.791  -1.665  -0.443  1.00  0.00           C  
HETATM    5  N   UNL     1       6.899  -2.462  -0.670  1.00  0.00           N  
HETATM    6  N   UNL     1       4.584  -2.203  -0.530  1.00  0.00           N  
HETATM    7  C   UNL     1       3.497  -1.470  -0.319  1.00  0.00           C  
HETATM    8  N   UNL     1       2.239  -2.036  -0.411  1.00  0.00           N  
HETATM    9  C   UNL     1       3.648  -0.106   0.004  1.00  0.00           C  
HETATM   10  C   UNL     1       2.507   0.723   0.246  1.00  0.00           C  
HETATM   11  C   UNL     1       1.571   1.403   0.444  1.00  0.00           C  
HETATM   12  C   UNL     1       0.397   2.256   0.692  1.00  0.00           C  
HETATM   13  C   UNL     1       0.471   2.826   2.111  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.860   1.437   0.545  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.804   1.784  -0.410  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.960   1.033  -0.548  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.595   2.862  -1.212  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.609   3.162  -2.173  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.065   0.338   1.359  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.214  -0.416   1.229  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.170  -0.071   0.276  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.406  -0.879   0.134  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.617  -1.984   0.958  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.768  -2.732   0.822  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.712  -2.388  -0.129  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.508  -1.294  -0.949  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.363  -0.534  -0.818  1.00  0.00           C  
HETATM   28  H   UNL     1       5.253   1.978   1.497  1.00  0.00           H  
HETATM   29  H   UNL     1       6.075   2.216  -0.064  1.00  0.00           H  
HETATM   30  H   UNL     1       4.315   2.454   0.061  1.00  0.00           H  
HETATM   31  H   UNL     1       7.790  -2.083  -0.610  1.00  0.00           H  
HETATM   32  H   UNL     1       6.784  -3.400  -0.888  1.00  0.00           H  
HETATM   33  H   UNL     1       2.144  -2.976  -0.630  1.00  0.00           H  
HETATM   34  H   UNL     1       1.450  -1.492  -0.255  1.00  0.00           H  
HETATM   35  H   UNL     1       0.383   3.075  -0.027  1.00  0.00           H  
HETATM   36  H   UNL     1       1.380   3.418   2.217  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.398   3.457   2.295  1.00  0.00           H  
HETATM   38  H   UNL     1       0.484   2.007   2.831  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.696   1.302  -1.291  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.732   2.314  -2.848  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.551   3.356  -1.660  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.319   4.043  -2.745  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.325   0.069   2.098  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.372  -1.274   1.866  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.881  -2.253   1.700  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.933  -3.588   1.460  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.612  -2.977  -0.232  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.247  -1.030  -1.691  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.206   0.323  -1.456  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    3    1    9    9                                       
CONECT    3    4    4    2                                            
CONECT    4    5    3    3    6                                       
CONECT    5    4   31   32                                            
CONECT    6    4    7    7                                            
CONECT    7    6    6    9    8                                       
CONECT    8    7   33   34                                            
CONECT    9    2    2    7   10                                       
CONECT   10    9   11   11   11                                       
CONECT   11   10   10   10   12                                       
CONECT   12   11   14   13   35                                       
CONECT   13   12   36   37   38                                       
CONECT   14   12   15   15   19                                       
CONECT   15   17   14   14   16                                       
CONECT   16   15   21   21   39                                       
CONECT   17   18   15                                                 
CONECT   18   17   40   41   42                                       
CONECT   19   14   20   20   43                                       
CONECT   20   19   19   21   44                                       
CONECT   21   16   16   20   22                                       
CONECT   22   21   27   27   23                                       
CONECT   23   22   24   24   45                                       
CONECT   24   23   23   25   46                                       
CONECT   25   26   26   24   47                                       
CONECT   26   27   25   25   48                                       
CONECT   27   22   22   26   49                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
