COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.537  -1.607   0.135  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.324  -2.716   0.180  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.596  -3.370  -1.061  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.170  -1.720   0.362  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.619  -2.936   0.618  1.00  0.00           O  
HETATM    6  C   UNL     1       0.792  -2.975   0.841  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.371  -0.587   0.325  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.940   0.648   0.055  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.139   1.892   0.032  1.00  0.00           C  
HETATM   10  C   UNL     1       1.211   2.114  -0.058  1.00  0.00           C  
HETATM   11  C   UNL     1       2.268   1.087  -0.161  1.00  0.00           C  
HETATM   12  C   UNL     1       2.155   0.058  -1.098  1.00  0.00           C  
HETATM   13  C   UNL     1       3.144  -0.898  -1.192  1.00  0.00           C  
HETATM   14  C   UNL     1       4.251  -0.838  -0.356  1.00  0.00           C  
HETATM   15  O   UNL     1       5.223  -1.782  -0.452  1.00  0.00           O  
HETATM   16  C   UNL     1       6.335  -1.661   0.438  1.00  0.00           C  
HETATM   17  C   UNL     1       4.367   0.184   0.577  1.00  0.00           C  
HETATM   18  C   UNL     1       3.386   1.147   0.673  1.00  0.00           C  
HETATM   19  N   UNL     1       1.389   3.470  -0.033  1.00  0.00           N  
HETATM   20  N   UNL     1       0.127   4.076   0.073  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.781   3.156   0.113  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.281   3.261   0.223  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.931   2.097  -0.520  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.313   0.768  -0.189  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.105  -0.369  -0.143  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.443  -0.272  -0.365  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.284  -0.146   0.784  1.00  0.00           C  
HETATM   28  H   UNL     1      -4.023  -2.653  -1.763  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.669  -3.771  -1.471  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.302  -4.183  -0.896  1.00  0.00           H  
HETATM   31  H   UNL     1       1.310  -2.599  -0.042  1.00  0.00           H  
HETATM   32  H   UNL     1       1.042  -2.354   1.701  1.00  0.00           H  
HETATM   33  H   UNL     1       1.101  -4.003   1.033  1.00  0.00           H  
HETATM   34  H   UNL     1       0.691  -0.667   0.506  1.00  0.00           H  
HETATM   35  H   UNL     1       1.294   0.011  -1.748  1.00  0.00           H  
HETATM   36  H   UNL     1       3.057  -1.694  -1.917  1.00  0.00           H  
HETATM   37  H   UNL     1       6.834  -0.708   0.268  1.00  0.00           H  
HETATM   38  H   UNL     1       5.982  -1.708   1.469  1.00  0.00           H  
HETATM   39  H   UNL     1       7.036  -2.476   0.257  1.00  0.00           H  
HETATM   40  H   UNL     1       5.230   0.226   1.226  1.00  0.00           H  
HETATM   41  H   UNL     1       3.479   1.943   1.396  1.00  0.00           H  
HETATM   42  H   UNL     1       2.241   3.933  -0.081  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.571   3.228   1.273  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.612   4.202  -0.215  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.990   2.065  -0.264  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.838   2.270  -1.592  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.328  -0.167   0.473  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.091  -0.973   1.467  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.073   0.798   1.287  1.00  0.00           H  
CONECT    1    2    4    4   25                                       
CONECT    2    1    3                                                 
CONECT    3    2   28   29   30                                       
CONECT    4    1    1    5    7                                       
CONECT    5    4    6                                                 
CONECT    6    5   31   32   33                                       
CONECT    7    4    8    8   34                                       
CONECT    8    7    7    9   24                                       
CONECT    9    8   10   10   21                                       
CONECT   10    9    9   11   19                                       
CONECT   11   10   12   12   18                                       
CONECT   12   11   11   13   35                                       
CONECT   13   12   14   14   36                                       
CONECT   14   13   13   15   17                                       
CONECT   15   14   16                                                 
CONECT   16   15   37   38   39                                       
CONECT   17   14   18   18   40                                       
CONECT   18   11   17   17   41                                       
CONECT   19   10   20   42                                            
CONECT   20   19   21   21                                            
CONECT   21    9   20   20   22                                       
CONECT   22   23   43   44   21                                       
CONECT   23   22   24   45   46                                       
CONECT   24    8   23   25   25                                       
CONECT   25    1   24   24   26                                       
CONECT   26   25   27                                                 
CONECT   27   26   47   48   49                                       
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
