COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.434   0.232  -0.782  1.00  0.00           C  
HETATM    2  C   UNL     1       6.506   0.812   0.105  1.00  0.00           C  
HETATM    3  C   UNL     1       7.808   2.687   0.827  1.00  0.00           C  
HETATM    4  C   UNL     1       8.148   0.537   1.825  1.00  0.00           C  
HETATM    5  C   UNL     1       3.076  -0.137  -0.782  1.00  0.00           C  
HETATM    6  C   UNL     1       6.826   2.154   0.014  1.00  0.00           C  
HETATM    7  C   UNL     1       8.471   1.877   1.731  1.00  0.00           C  
HETATM    8  C   UNL     1       7.165   0.004   1.012  1.00  0.00           C  
HETATM    9  O   UNL     1       4.147   0.340  -0.119  1.00  0.00           O  
HETATM   10  O   UNL     1       3.214  -0.629  -1.884  1.00  0.00           O  
HETATM   11  N   UNL     1       1.852  -0.067  -0.223  1.00  0.00           N  
HETATM   12  C   UNL     1       0.687  -0.585  -0.945  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.557   0.115  -0.460  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.477   0.964   0.403  1.00  0.00           O  
HETATM   15  C   UNL     1       0.557  -2.089  -0.691  1.00  0.00           C  
HETATM   16  C   UNL     1       1.761  -2.814  -1.293  1.00  0.00           C  
HETATM   17  C   UNL     1       1.696  -4.299  -0.933  1.00  0.00           C  
HETATM   18  C   UNL     1       1.742  -2.657  -2.815  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.757  -0.201  -0.986  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.977   0.400  -0.441  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.268   1.712  -1.170  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.491   2.384  -0.542  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.906   3.628  -1.362  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.365   4.599  -0.251  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.644   4.179   0.957  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.148   2.937   0.823  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.517   2.346   1.674  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.150  -0.563  -0.634  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.328  -0.822  -2.028  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.862  -1.856   0.084  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.725  -2.883  -0.547  1.00  0.00           O  
HETATM   32  N   UNL     1      -3.758  -1.872   1.428  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.478  -3.129   2.126  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.445  -3.095   3.254  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.932  -3.243   3.583  1.00  0.00           C  
HETATM   36  H   UNL     1       5.405   0.780  -1.724  1.00  0.00           H  
HETATM   37  H   UNL     1       5.655  -0.817  -0.979  1.00  0.00           H  
HETATM   38  H   UNL     1       8.061   3.734   0.754  1.00  0.00           H  
HETATM   39  H   UNL     1       8.663  -0.095   2.534  1.00  0.00           H  
HETATM   40  H   UNL     1       6.308   2.786  -0.692  1.00  0.00           H  
HETATM   41  H   UNL     1       9.239   2.293   2.366  1.00  0.00           H  
HETATM   42  H   UNL     1       6.912  -1.043   1.086  1.00  0.00           H  
HETATM   43  H   UNL     1       1.742   0.326   0.657  1.00  0.00           H  
HETATM   44  H   UNL     1       0.812  -0.407  -2.012  1.00  0.00           H  
HETATM   45  H   UNL     1       0.521  -2.274   0.383  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.359  -2.457  -1.154  1.00  0.00           H  
HETATM   47  H   UNL     1       2.681  -2.384  -0.896  1.00  0.00           H  
HETATM   48  H   UNL     1       0.776  -4.729  -1.330  1.00  0.00           H  
HETATM   49  H   UNL     1       2.554  -4.816  -1.362  1.00  0.00           H  
HETATM   50  H   UNL     1       1.709  -4.411   0.152  1.00  0.00           H  
HETATM   51  H   UNL     1       0.823  -3.087  -3.213  1.00  0.00           H  
HETATM   52  H   UNL     1       1.789  -1.599  -3.072  1.00  0.00           H  
HETATM   53  H   UNL     1       2.600  -3.174  -3.245  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.812  -0.827  -1.725  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.840   0.598   0.623  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.407   2.375  -1.086  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.467   1.507  -2.222  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.319   1.679  -0.473  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.056   4.036  -1.910  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.728   3.393  -2.039  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.099   5.623  -0.512  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.441   4.516  -0.098  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.540   4.728   1.750  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.057  -0.116  -0.229  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.558  -1.221  -2.456  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.868  -1.050   1.932  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.525  -4.028   1.513  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.811  -3.973   3.382  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.973  -2.138   3.476  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.438  -2.383   4.022  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.277  -4.218   3.928  1.00  0.00           H  
CONECT    1    9    2   36   37                                       
CONECT    2    1    8    8    6                                       
CONECT    3    7    6    6   38                                       
CONECT    4    8    7    7   39                                       
CONECT    5    9   10   10   11                                       
CONECT    6    2    3    3   40                                       
CONECT    7    3    4    4   41                                       
CONECT    8    2    2    4   42                                       
CONECT    9    1    5                                                 
CONECT   10    5    5                                                 
CONECT   11   12   43    5                                            
CONECT   12   11   13   15   44                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   45   46                                       
CONECT   16   15   17   18   47                                       
CONECT   17   16   48   49   50                                       
CONECT   18   16   51   52   53                                       
CONECT   19   20   54   13                                            
CONECT   20   21   19   28   55                                       
CONECT   21   22   20   56   57                                       
CONECT   22   26   21   23   58                                       
CONECT   23   22   24   59   60                                       
CONECT   24   25   23   61   62                                       
CONECT   25   26   24   63                                            
CONECT   26   27   27   25   22                                       
CONECT   27   26   26                                                 
CONECT   28   20   29   30   64                                       
CONECT   29   28   65                                                 
CONECT   30   28   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   33   66   30                                            
CONECT   33   32   35   34   67                                       
CONECT   34   33   35   68   69                                       
CONECT   35   33   34   70   71                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
