COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.162   2.887  -0.045  1.00  0.00           O  
HETATM    2  C   UNL     1       6.582   2.743  -0.109  1.00  0.00           C  
HETATM    3  C   UNL     1       4.426   1.747  -0.034  1.00  0.00           C  
HETATM    4  C   UNL     1       5.069   0.513  -0.080  1.00  0.00           C  
HETATM    5  C   UNL     1       4.338  -0.660  -0.070  1.00  0.00           C  
HETATM    6  N   UNL     1       0.773  -1.657   0.056  1.00  0.00           N  
HETATM    7  C   UNL     1       6.397  -1.841  -0.169  1.00  0.00           C  
HETATM    8  O   UNL     1       4.969  -1.860  -0.114  1.00  0.00           O  
HETATM    9  C   UNL     1       2.940  -0.600  -0.014  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.364   0.040   0.326  1.00  0.00           O  
HETATM   11  N   UNL     1       0.933   0.691   0.087  1.00  0.00           N  
HETATM   12  C   UNL     1       2.116  -1.812   0.000  1.00  0.00           C  
HETATM   13  C   UNL     1       0.219  -0.406   0.098  1.00  0.00           C  
HETATM   14  O   UNL     1      -7.836   1.468   0.001  1.00  0.00           O  
HETATM   15  O   UNL     1       2.622  -2.919  -0.038  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.252  -0.289   0.158  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.852   0.972   0.202  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.225   1.077   0.259  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.874   2.436   0.306  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.011  -0.068   0.271  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.060   0.112  -0.919  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.563   0.229  -0.657  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.418  -1.324   0.228  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.276  -2.563   0.242  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.046  -1.438   0.166  1.00  0.00           C  
HETATM   26  C   UNL     1       2.286   0.654   0.032  1.00  0.00           C  
HETATM   27  C   UNL     1       3.046   1.824   0.027  1.00  0.00           C  
HETATM   28  H   UNL     1       6.929   2.178   0.757  1.00  0.00           H  
HETATM   29  H   UNL     1       6.852   2.212  -1.021  1.00  0.00           H  
HETATM   30  H   UNL     1       7.048   3.728  -0.110  1.00  0.00           H  
HETATM   31  H   UNL     1       6.148   0.472  -0.123  1.00  0.00           H  
HETATM   32  H   UNL     1       0.198  -2.438   0.066  1.00  0.00           H  
HETATM   33  H   UNL     1       6.773  -2.863  -0.201  1.00  0.00           H  
HETATM   34  H   UNL     1       6.718  -1.308  -1.064  1.00  0.00           H  
HETATM   35  H   UNL     1       6.788  -1.336   0.714  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.772   1.610   0.199  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.242   1.862   0.192  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.071   2.780  -0.709  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.812   2.372   0.857  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.207   3.140   0.805  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.719   0.984  -1.476  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.862  -0.790  -1.499  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.887  -0.598  -0.025  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.101   0.195  -1.605  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.523  -2.845  -0.781  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.731  -3.376   0.722  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.193  -2.363   0.796  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.586  -2.414   0.127  1.00  0.00           H  
HETATM   49  H   UNL     1       2.558   2.787   0.066  1.00  0.00           H  
CONECT    1    3    2                                                 
CONECT    2    1   28   29   30                                       
CONECT    3    4    1   27   27                                       
CONECT    4    5    5    3   31                                       
CONECT    5    8    4    4    9                                       
CONECT    6   12   13   32                                            
CONECT    7    8   33   34   35                                       
CONECT    8    7    5                                                 
CONECT    9    5   26   26   12                                       
CONECT   10   20   21                                                 
CONECT   11   26   13   13                                            
CONECT   12    9   15   15    6                                       
CONECT   13   11   11    6   16                                       
CONECT   14   22   36                                                 
CONECT   15   12   12                                                 
CONECT   16   13   17   17   25                                       
CONECT   17   16   16   18   37                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   38   39   40                                       
CONECT   20   18   18   23   10                                       
CONECT   21   10   22   41   42                                       
CONECT   22   21   14   43   44                                       
CONECT   23   25   25   20   24                                       
CONECT   24   23   45   46   47                                       
CONECT   25   16   23   23   48                                       
CONECT   26    9    9   27   11                                       
CONECT   27    3    3   26   49                                       
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
