COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.917   1.130  -0.041  1.00  0.00           C  
HETATM    2  C   UNL     1       5.853   0.360   1.124  1.00  0.00           C  
HETATM    3  C   UNL     1       4.773  -0.425   1.385  1.00  0.00           C  
HETATM    4  C   UNL     1       3.704  -0.466   0.474  1.00  0.00           C  
HETATM    5  C   UNL     1       3.767   0.314  -0.709  1.00  0.00           C  
HETATM    6  C   UNL     1       4.896   1.113  -0.948  1.00  0.00           C  
HETATM    7  C   UNL     1       2.574  -1.267   0.712  1.00  0.00           C  
HETATM    8  C   UNL     1       1.557  -1.283  -0.193  1.00  0.00           C  
HETATM    9  C   UNL     1       0.194  -3.161  -1.066  1.00  0.00           C  
HETATM   10  C   UNL     1       1.618  -0.516  -1.355  1.00  0.00           C  
HETATM   11  C   UNL     1       8.042   1.883   0.713  1.00  0.00           C  
HETATM   12  O   UNL     1       7.006   1.908  -0.272  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.166  -1.006   0.280  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.490   1.497   0.051  1.00  0.00           N  
HETATM   15  O   UNL     1      -6.892   2.027  -1.199  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.560  -0.488  -0.945  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.216   1.819   1.223  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.662   0.342  -1.022  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.374   0.657   0.128  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.979   0.137   1.354  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.877  -0.692   1.428  1.00  0.00           C  
HETATM   22  C   UNL     1       2.697   0.271  -1.619  1.00  0.00           C  
HETATM   23  C   UNL     1       0.347  -2.143   0.066  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.882  -1.274   0.130  1.00  0.00           C  
HETATM   25  H   UNL     1       6.673   0.389   1.827  1.00  0.00           H  
HETATM   26  H   UNL     1       4.738  -1.015   2.289  1.00  0.00           H  
HETATM   27  H   UNL     1       4.957   1.712  -1.845  1.00  0.00           H  
HETATM   28  H   UNL     1       2.513  -1.867   1.608  1.00  0.00           H  
HETATM   29  H   UNL     1       1.083  -3.790  -1.112  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.681  -3.783  -0.878  1.00  0.00           H  
HETATM   31  H   UNL     1       0.070  -2.636  -2.013  1.00  0.00           H  
HETATM   32  H   UNL     1       0.798  -0.547  -2.056  1.00  0.00           H  
HETATM   33  H   UNL     1       8.423   0.867   0.813  1.00  0.00           H  
HETATM   34  H   UNL     1       8.850   2.547   0.407  1.00  0.00           H  
HETATM   35  H   UNL     1       7.641   2.217   1.670  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.006  -0.733  -1.839  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.968   0.746  -1.975  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.533   0.382   2.248  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.569  -1.096   2.381  1.00  0.00           H  
HETATM   40  H   UNL     1       2.730   0.860  -2.524  1.00  0.00           H  
HETATM   41  H   UNL     1       0.471  -2.668   1.013  1.00  0.00           H  
HETATM   42  O   UNL     1      -0.786  -0.079  -0.019  1.00  0.00           O  
HETATM   43  H   UNL     1      -6.336   1.752  -1.940  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.970   2.405   1.071  1.00  0.00           H  
HETATM   45  O   UNL     1      -2.085  -1.828   0.353  1.00  0.00           O  
CONECT    1   12    2    2    6                                       
CONECT    2    1    1    3   25                                       
CONECT    3    2    4    4   26                                       
CONECT    4    3    3    5    7                                       
CONECT    5    6    6    4   22                                       
CONECT    6    1    5    5   27                                       
CONECT    7    4    8    8   28                                       
CONECT    8    7    7   10   23                                       
CONECT    9   23   29   30   31                                       
CONECT   10   22   22    8   32                                       
CONECT   11   12   33   34   35                                       
CONECT   12   11    1                                                 
CONECT   13   21   21   16   45                                       
CONECT   14   17   19   15                                            
CONECT   15   14   43                                                 
CONECT   16   13   18   18   36                                       
CONECT   17   14   44                                                 
CONECT   18   16   16   19   37                                       
CONECT   19   20   20   18   14                                       
CONECT   20   21   19   19   38                                       
CONECT   21   13   13   20   39                                       
CONECT   22    5   10   10   40                                       
CONECT   23    8    9   24   41                                       
CONECT   24   23   42   42   45                                       
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   24   24                                                 
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   13   24                                                 
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
