COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       3.545   3.506  -0.118  1.00  0.00           C  
HETATM    2  C   UNL     1       3.019   2.149   0.352  1.00  0.00           C  
HETATM    3  C   UNL     1       3.883   1.638   1.507  1.00  0.00           C  
HETATM    4  C   UNL     1       1.597   2.297   0.818  1.00  0.00           C  
HETATM    5  C   UNL     1       0.547   1.726   0.274  1.00  0.00           C  
HETATM    6  C   UNL     1       1.196   3.082   2.040  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.204   2.578   2.408  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.692   2.197   0.986  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.379   3.417   0.372  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.588   1.018   1.161  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.199   0.320   0.244  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.154  -0.800   0.661  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.911  -0.431   1.939  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.702  -1.543   2.361  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.126  -0.868  -0.518  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.681   0.221  -1.505  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.152   0.271  -1.242  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.460   1.168  -2.210  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.245   2.451  -2.509  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.002   1.450  -1.984  1.00  0.00           C  
HETATM   21  O   UNL     1       0.256   2.858  -1.898  1.00  0.00           O  
HETATM   22  C   UNL     1       0.620   0.700  -0.831  1.00  0.00           C  
HETATM   23  O   UNL     1       0.051  -0.555  -0.494  1.00  0.00           O  
HETATM   24  C   UNL     1       0.510  -1.638  -1.306  1.00  0.00           C  
HETATM   25  O   UNL     1       1.932  -1.738  -1.208  1.00  0.00           O  
HETATM   26  C   UNL     1       2.412  -1.948   0.121  1.00  0.00           C  
HETATM   27  C   UNL     1       3.941  -2.009   0.107  1.00  0.00           C  
HETATM   28  O   UNL     1       4.465  -0.747  -0.310  1.00  0.00           O  
HETATM   29  C   UNL     1       1.853  -3.266   0.662  1.00  0.00           C  
HETATM   30  O   UNL     1       2.323  -4.350  -0.142  1.00  0.00           O  
HETATM   31  C   UNL     1       0.323  -3.219   0.616  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.149  -2.177   1.472  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.126  -2.944  -0.822  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.550  -2.826  -0.864  1.00  0.00           O  
HETATM   35  H   UNL     1       2.930   3.870  -0.940  1.00  0.00           H  
HETATM   36  H   UNL     1       3.505   4.217   0.708  1.00  0.00           H  
HETATM   37  H   UNL     1       4.576   3.399  -0.455  1.00  0.00           H  
HETATM   38  H   UNL     1       3.059   1.438  -0.473  1.00  0.00           H  
HETATM   39  H   UNL     1       3.542   0.647   1.806  1.00  0.00           H  
HETATM   40  H   UNL     1       4.923   1.583   1.186  1.00  0.00           H  
HETATM   41  H   UNL     1       3.800   2.322   2.353  1.00  0.00           H  
HETATM   42  H   UNL     1       1.888   2.877   2.853  1.00  0.00           H  
HETATM   43  H   UNL     1       1.168   4.142   1.811  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.158   1.700   3.037  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.819   3.368   2.815  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.420   3.304  -0.711  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.392   3.500   0.767  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.816   4.316   0.623  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.711   0.673   2.208  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.603  -1.729   0.780  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.197  -0.175   2.722  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.559   0.423   1.744  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.211  -1.381   3.168  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.065  -1.845  -0.994  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.140  -0.671  -0.180  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.873  -0.081  -2.525  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.145   1.163  -1.248  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.824  -0.777  -1.499  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.492   0.608  -3.201  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.629   2.867  -1.577  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.586   3.177  -2.986  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.077   2.222  -3.174  1.00  0.00           H  
HETATM   63  H   UNL     1       0.541   1.123  -2.913  1.00  0.00           H  
HETATM   64  H   UNL     1       1.186   3.080  -1.753  1.00  0.00           H  
HETATM   65  H   UNL     1       1.694   0.501  -1.077  1.00  0.00           H  
HETATM   66  H   UNL     1       0.228  -1.459  -2.343  1.00  0.00           H  
HETATM   67  H   UNL     1       2.088  -1.126   0.759  1.00  0.00           H  
HETATM   68  H   UNL     1       4.305  -2.241   1.109  1.00  0.00           H  
HETATM   69  H   UNL     1       4.267  -2.785  -0.586  1.00  0.00           H  
HETATM   70  H   UNL     1       5.431  -0.713  -0.342  1.00  0.00           H  
HETATM   71  H   UNL     1       2.182  -3.407   1.691  1.00  0.00           H  
HETATM   72  H   UNL     1       2.007  -5.218   0.144  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.082  -4.176   0.947  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.112  -2.145   1.560  1.00  0.00           H  
HETATM   75  H   UNL     1       0.190  -3.764  -1.466  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.904  -2.651  -1.747  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    3    4    1   38                                       
CONECT    3    2   39   40   41                                       
CONECT    4    5    5    2    6                                       
CONECT    5   22    4    4    8                                       
CONECT    6    4    7   42   43                                       
CONECT    7    8    6   44   45                                       
CONECT    8    9    5    7   10                                       
CONECT    9    8   46   47   48                                       
CONECT   10    8   11   11   49                                       
CONECT   11   10   10   17   12                                       
CONECT   12   11   13   15   50                                       
CONECT   13   12   14   51   52                                       
CONECT   14   13   53                                                 
CONECT   15   16   12   54   55                                       
CONECT   16   17   15   56   57                                       
CONECT   17   18   11   16   58                                       
CONECT   18   20   19   17   59                                       
CONECT   19   18   60   61   62                                       
CONECT   20   21   22   18   63                                       
CONECT   21   20   64                                                 
CONECT   22   23    5   20   65                                       
CONECT   23   24   22                                                 
CONECT   24   33   25   23   66                                       
CONECT   25   26   24                                                 
CONECT   26   27   29   25   67                                       
CONECT   27   28   26   68   69                                       
CONECT   28   27   70                                                 
CONECT   29   31   30   26   71                                       
CONECT   30   29   72                                                 
CONECT   31   32   33   29   73                                       
CONECT   32   31   74                                                 
CONECT   33   31   34   24   75                                       
CONECT   34   33   76                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
