COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.462   1.694  -0.464  1.00  0.00           C  
HETATM    2  C   UNL     1       1.142   1.332  -0.623  1.00  0.00           C  
HETATM    3  C   UNL     1       0.763   0.007  -0.470  1.00  0.00           C  
HETATM    4  C   UNL     1       1.725  -0.953  -0.155  1.00  0.00           C  
HETATM    5  C   UNL     1       3.050  -0.583   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1       3.431   0.747  -0.156  1.00  0.00           C  
HETATM    7  C   UNL     1       2.051  -3.152  -0.961  1.00  0.00           C  
HETATM    8  C   UNL     1       1.569  -4.596  -0.794  1.00  0.00           C  
HETATM    9  C   UNL     1       3.165   3.035  -0.554  1.00  0.00           C  
HETATM   10  C   UNL     1       5.654   3.498  -0.554  1.00  0.00           C  
HETATM   11  C   UNL     1       4.519   2.734   0.130  1.00  0.00           C  
HETATM   12  O   UNL     1       4.665   1.317  -0.064  1.00  0.00           O  
HETATM   13  N   UNL     1       1.351  -2.291   0.003  1.00  0.00           N  
HETATM   14  O   UNL     1       1.784  -5.011   0.558  1.00  0.00           O  
HETATM   15  C   UNL     1       1.116  -4.196   1.524  1.00  0.00           C  
HETATM   16  C   UNL     1       1.594  -2.747   1.380  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.580  -0.367  -0.631  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.563   0.473  -0.249  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.288   1.586   0.160  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.963   0.045  -0.326  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.434  -1.202  -0.773  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.739  -1.210  -0.696  1.00  0.00           N  
HETATM   23  N   UNL     1      -5.186   0.019  -0.200  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.093   0.803   0.039  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.230   2.039   0.521  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.421   2.533   0.779  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.567   1.762   0.548  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.433   0.502   0.061  1.00  0.00           C  
HETATM   29  C   UNL     1       4.461   3.074   1.621  1.00  0.00           C  
HETATM   30  H   UNL     1       0.402   2.080  -0.866  1.00  0.00           H  
HETATM   31  H   UNL     1       3.792  -1.329   0.244  1.00  0.00           H  
HETATM   32  H   UNL     1       3.125  -3.104  -0.780  1.00  0.00           H  
HETATM   33  H   UNL     1       1.837  -2.812  -1.974  1.00  0.00           H  
HETATM   34  H   UNL     1       0.506  -4.654  -1.028  1.00  0.00           H  
HETATM   35  H   UNL     1       2.126  -5.246  -1.468  1.00  0.00           H  
HETATM   36  H   UNL     1       3.311   3.330  -1.593  1.00  0.00           H  
HETATM   37  H   UNL     1       2.614   3.801  -0.008  1.00  0.00           H  
HETATM   38  H   UNL     1       5.460   4.569  -0.493  1.00  0.00           H  
HETATM   39  H   UNL     1       6.597   3.271  -0.056  1.00  0.00           H  
HETATM   40  H   UNL     1       5.715   3.199  -1.600  1.00  0.00           H  
HETATM   41  H   UNL     1       0.040  -4.243   1.357  1.00  0.00           H  
HETATM   42  H   UNL     1       1.346  -4.557   2.527  1.00  0.00           H  
HETATM   43  H   UNL     1       2.660  -2.691   1.599  1.00  0.00           H  
HETATM   44  H   UNL     1       1.045  -2.112   2.076  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.801  -1.229  -1.016  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.820  -2.019  -1.123  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.516   3.536   1.169  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.546   2.165   0.758  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.305  -0.110  -0.119  1.00  0.00           H  
HETATM   50  H   UNL     1       3.684   2.477   2.099  1.00  0.00           H  
HETATM   51  H   UNL     1       5.424   2.854   2.082  1.00  0.00           H  
HETATM   52  H   UNL     1       4.233   4.133   1.743  1.00  0.00           H  
CONECT    1    2    6    6    9                                       
CONECT    2    3    3    1   30                                       
CONECT    3   17    2    2    4                                       
CONECT    4    3   13    5    5                                       
CONECT    5    4    4    6   31                                       
CONECT    6    1    1    5   12                                       
CONECT    7   13    8   32   33                                       
CONECT    8   14    7   34   35                                       
CONECT    9    1   11   36   37                                       
CONECT   10   11   38   39   40                                       
CONECT   11    9   12   29   10                                       
CONECT   12    6   11                                                 
CONECT   13   16    4    7                                            
CONECT   14   15    8                                                 
CONECT   15   16   14   41   42                                       
CONECT   16   15   13   43   44                                       
CONECT   17   18    3   45                                            
CONECT   18   20   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   24   24   18                                       
CONECT   21   22   22   20   46                                       
CONECT   22   23   21   21                                            
CONECT   23   28   22   24                                            
CONECT   24   23   20   20   25                                       
CONECT   25   24   26   26                                            
CONECT   26   27   25   25   47                                       
CONECT   27   28   28   26   48                                       
CONECT   28   23   27   27   49                                       
CONECT   29   11   50   51   52                                       
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
