COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.200   0.410  -0.885  1.00  0.00           C  
HETATM    2  C   UNL     1       1.004   1.638  -0.294  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.214   1.932   0.307  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.248   1.015   0.302  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.057  -0.217  -0.321  1.00  0.00           C  
HETATM    6  O   UNL     1       4.221   1.603   0.171  1.00  0.00           O  
HETATM    7  O   UNL     1       5.586  -2.181   2.699  1.00  0.00           O  
HETATM    8  C   UNL     1       0.174  -0.524  -0.913  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.540   1.373   0.975  1.00  0.00           C  
HETATM   10  O   UNL     1       0.362  -1.727  -1.511  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.700   0.531   0.538  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.524  -0.707  -0.085  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.160  -1.200  -0.354  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.973   0.993   0.757  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.078   0.240   0.375  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.912  -0.995  -0.234  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.951  -2.374  -0.595  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.456  -2.684  -1.057  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.634  -1.476  -0.466  1.00  0.00           C  
HETATM   20  O   UNL     1      -7.328   0.717   0.601  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.363   1.216   2.487  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.858   2.839   0.674  1.00  0.00           C  
HETATM   23  C   UNL     1       2.076   2.697  -0.303  1.00  0.00           C  
HETATM   24  C   UNL     1       3.392   2.163  -0.828  1.00  0.00           C  
HETATM   25  C   UNL     1       4.162   0.267   0.410  1.00  0.00           C  
HETATM   26  C   UNL     1       4.905  -0.279   1.447  1.00  0.00           C  
HETATM   27  C   UNL     1       4.859  -1.644   1.685  1.00  0.00           C  
HETATM   28  C   UNL     1       4.072  -2.463   0.888  1.00  0.00           C  
HETATM   29  O   UNL     1       3.184   1.256  -1.910  1.00  0.00           O  
HETATM   30  C   UNL     1       4.151   3.356  -1.413  1.00  0.00           C  
HETATM   31  C   UNL     1       2.539   0.046  -1.487  1.00  0.00           C  
HETATM   32  C   UNL     1       3.369  -0.556  -0.374  1.00  0.00           C  
HETATM   33  C   UNL     1       3.327  -1.916  -0.141  1.00  0.00           C  
HETATM   34  C   UNL     1       2.471  -2.804  -1.008  1.00  0.00           C  
HETATM   35  H   UNL     1      -0.354   2.890   0.784  1.00  0.00           H  
HETATM   36  H   UNL     1       5.116  -2.218   3.543  1.00  0.00           H  
HETATM   37  H   UNL     1       0.073  -1.758  -2.433  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.118   1.952   1.232  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.773  -1.577  -0.525  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.408  -3.423  -0.435  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.683   1.247  -0.126  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.570   1.879   2.831  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.295   1.473   2.990  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.099   0.184   2.717  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.951   2.976  -0.404  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.796   3.114   1.157  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.055   3.470   1.053  1.00  0.00           H  
HETATM   48  H   UNL     1       1.751   3.525  -0.933  1.00  0.00           H  
HETATM   49  H   UNL     1       2.222   3.062   0.714  1.00  0.00           H  
HETATM   50  H   UNL     1       5.518   0.357   2.068  1.00  0.00           H  
HETATM   51  H   UNL     1       4.041  -3.527   1.071  1.00  0.00           H  
HETATM   52  H   UNL     1       5.094   3.014  -1.839  1.00  0.00           H  
HETATM   53  H   UNL     1       3.548   3.823  -2.192  1.00  0.00           H  
HETATM   54  H   UNL     1       4.350   4.082  -0.625  1.00  0.00           H  
HETATM   55  H   UNL     1       2.419  -0.646  -2.321  1.00  0.00           H  
HETATM   56  H   UNL     1       1.511  -2.970  -0.521  1.00  0.00           H  
HETATM   57  H   UNL     1       2.312  -2.324  -1.973  1.00  0.00           H  
HETATM   58  H   UNL     1       2.974  -3.760  -1.156  1.00  0.00           H  
CONECT    1   31    8    8    2                                       
CONECT    2    1   23    3    3                                       
CONECT    3    2    2    4   35                                       
CONECT    4    5    5    3    9                                       
CONECT    5    8   13    4    4                                       
CONECT    6   25   24                                                 
CONECT    7   27   36                                                 
CONECT    8   10    1    1    5                                       
CONECT    9    4   11   21   22                                       
CONECT   10    8   37                                                 
CONECT   11   12    9   14   14                                       
CONECT   12   13   19   19   11                                       
CONECT   13   17   17    5   12                                       
CONECT   14   11   11   15   38                                       
CONECT   15   16   16   14   20                                       
CONECT   16   19   15   15   39                                       
CONECT   17   13   13                                                 
CONECT   18   19   40                                                 
CONECT   19   18   12   12   16                                       
CONECT   20   15   41                                                 
CONECT   21    9   42   43   44                                       
CONECT   22    9   45   46   47                                       
CONECT   23   24    2   48   49                                       
CONECT   24    6   29   30   23                                       
CONECT   25   26   26   32    6                                       
CONECT   26   27   25   25   50                                       
CONECT   27    7   28   28   26                                       
CONECT   28   27   27   33   51                                       
CONECT   29   31   24                                                 
CONECT   30   24   52   53   54                                       
CONECT   31   32   29    1   55                                       
CONECT   32   33   33   25   31                                       
CONECT   33   28   34   32   32                                       
CONECT   34   33   56   57   58                                       
CONECT   35    3                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
CONECT   58   34                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
