COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.735   2.942   0.660  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.944   2.173   0.147  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.864   2.651  -0.505  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.711   4.071  -0.554  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.155   0.776   0.240  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.289   0.311   0.783  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.570  -0.994   0.924  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.725  -1.968   0.248  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.078  -2.017  -1.240  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.110  -0.166  -0.276  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.274  -1.522   0.421  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.690   0.342  -0.043  1.00  0.00           C  
HETATM   13  C   UNL     1       0.283  -0.694  -0.617  1.00  0.00           C  
HETATM   14  N   UNL     1       0.076  -1.997   0.027  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.288  -2.513  -0.192  1.00  0.00           C  
HETATM   16  C   UNL     1       1.705  -0.257  -0.369  1.00  0.00           C  
HETATM   17  N   UNL     1       2.223   1.003  -0.493  1.00  0.00           N  
HETATM   18  C   UNL     1       3.551   0.990  -0.176  1.00  0.00           C  
HETATM   19  C   UNL     1       3.892  -0.345   0.163  1.00  0.00           C  
HETATM   20  C   UNL     1       2.674  -1.114   0.028  1.00  0.00           C  
HETATM   21  C   UNL     1       2.443  -2.585   0.264  1.00  0.00           C  
HETATM   22  C   UNL     1       1.099  -2.969  -0.370  1.00  0.00           C  
HETATM   23  C   UNL     1       5.196  -0.689   0.535  1.00  0.00           C  
HETATM   24  C   UNL     1       6.122   0.324   0.558  1.00  0.00           C  
HETATM   25  C   UNL     1       5.794   1.630   0.230  1.00  0.00           C  
HETATM   26  C   UNL     1       4.513   1.997  -0.143  1.00  0.00           C  
HETATM   27  H   UNL     1      -0.805   4.320  -1.106  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.573   4.512  -1.054  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.638   4.464   0.460  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.019   1.028   1.128  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.865  -2.952   0.694  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.921  -1.034  -1.684  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.443  -2.748  -1.741  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.123  -2.305  -1.356  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.256  -0.304  -1.347  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.054  -1.411   1.483  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.553   1.297  -0.550  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.512   0.461   1.026  1.00  0.00           H  
HETATM   39  H   UNL     1       0.118  -0.791  -1.690  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.397  -3.485   0.288  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.477  -2.606  -1.261  1.00  0.00           H  
HETATM   42  H   UNL     1       1.722   1.788  -0.765  1.00  0.00           H  
HETATM   43  H   UNL     1       3.245  -3.161  -0.197  1.00  0.00           H  
HETATM   44  H   UNL     1       2.415  -2.785   1.335  1.00  0.00           H  
HETATM   45  H   UNL     1       0.807  -3.963  -0.030  1.00  0.00           H  
HETATM   46  H   UNL     1       1.196  -2.971  -1.456  1.00  0.00           H  
HETATM   47  H   UNL     1       5.461  -1.703   0.793  1.00  0.00           H  
HETATM   48  H   UNL     1       7.140   0.096   0.840  1.00  0.00           H  
HETATM   49  H   UNL     1       6.564   2.386   0.266  1.00  0.00           H  
HETATM   50  H   UNL     1       4.270   3.019  -0.397  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    1    1    3                                       
CONECT    3    2    4                                                 
CONECT    4    3   27   28   29                                       
CONECT    5    6    6   10    2                                       
CONECT    6    7    5    5   30                                       
CONECT    7    8    6                                                 
CONECT    8    9    7   11   31                                       
CONECT    9    8   32   33   34                                       
CONECT   10    5   11   12   35                                       
CONECT   11    8   10   15   36                                       
CONECT   12   10   13   37   38                                       
CONECT   13   12   14   16   39                                       
CONECT   14   15   13   22                                            
CONECT   15   11   14   40   41                                       
CONECT   16   13   17   20   20                                       
CONECT   17   16   18   42                                            
CONECT   18   17   19   19   26                                       
CONECT   19   20   18   18   23                                       
CONECT   20   16   16   21   19                                       
CONECT   21   22   20   43   44                                       
CONECT   22   14   21   45   46                                       
CONECT   23   19   24   24   47                                       
CONECT   24   23   23   25   48                                       
CONECT   25   26   26   24   49                                       
CONECT   26   18   25   25   50                                       
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
