COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.306  -0.323  -0.098  1.00  0.00           C  
HETATM    2  C   UNL     1       6.191  -1.690  -0.309  1.00  0.00           C  
HETATM    3  C   UNL     1       4.953  -2.299  -0.200  1.00  0.00           C  
HETATM    4  C   UNL     1       3.825  -1.555   0.122  1.00  0.00           C  
HETATM    5  C   UNL     1       3.946  -0.198   0.338  1.00  0.00           C  
HETATM    6  C   UNL     1       5.187   0.414   0.223  1.00  0.00           C  
HETATM    7  C   UNL     1       2.510  -2.283   0.210  1.00  0.00           C  
HETATM    8  C   UNL     1       1.449  -1.433   0.907  1.00  0.00           C  
HETATM    9  C   UNL     1       1.464  -0.039   0.278  1.00  0.00           C  
HETATM   10  C   UNL     1       2.765   0.654   0.705  1.00  0.00           C  
HETATM   11  C   UNL     1       0.319   0.817   0.779  1.00  0.00           C  
HETATM   12  C   UNL     1       0.410   2.166   0.013  1.00  0.00           C  
HETATM   13  C   UNL     1       1.643   2.900   0.500  1.00  0.00           C  
HETATM   14  C   UNL     1       2.871   2.053   0.116  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.089   0.344   0.402  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.929   1.648   0.492  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.937   2.821   0.294  1.00  0.00           C  
HETATM   18  C   UNL     1       0.533   1.896  -1.488  1.00  0.00           C  
HETATM   19  O   UNL     1       7.289  -2.427  -0.622  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.990   1.666  -0.611  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.337   3.627  -0.816  1.00  0.00           O  
HETATM   22  H   UNL     1       7.269   0.160  -0.180  1.00  0.00           H  
HETATM   23  H   UNL     1       4.863  -3.362  -0.366  1.00  0.00           H  
HETATM   24  H   UNL     1       5.277   1.477   0.391  1.00  0.00           H  
HETATM   25  H   UNL     1       2.169  -2.526  -0.797  1.00  0.00           H  
HETATM   26  H   UNL     1       2.651  -3.208   0.770  1.00  0.00           H  
HETATM   27  H   UNL     1       0.467  -1.887   0.771  1.00  0.00           H  
HETATM   28  H   UNL     1       1.677  -1.359   1.970  1.00  0.00           H  
HETATM   29  H   UNL     1       1.431  -0.125  -0.808  1.00  0.00           H  
HETATM   30  H   UNL     1       2.749   0.758   1.789  1.00  0.00           H  
HETATM   31  H   UNL     1       0.397   0.964   1.857  1.00  0.00           H  
HETATM   32  H   UNL     1       1.703   3.877   0.022  1.00  0.00           H  
HETATM   33  H   UNL     1       1.598   3.019   1.582  1.00  0.00           H  
HETATM   34  H   UNL     1       3.772   2.535   0.495  1.00  0.00           H  
HETATM   35  H   UNL     1       2.933   1.982  -0.970  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.103  -0.055  -0.612  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.451  -0.397   1.115  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.404   1.720   1.470  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.881   3.425   1.200  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.310   1.288  -1.817  1.00  0.00           H  
HETATM   41  H   UNL     1       0.531   2.842  -2.029  1.00  0.00           H  
HETATM   42  H   UNL     1       1.464   1.366  -1.687  1.00  0.00           H  
HETATM   43  H   UNL     1       7.459  -2.495  -1.572  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.496   2.631  -0.612  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.512   1.505  -1.577  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.188   4.069  -0.694  1.00  0.00           H  
HETATM   47  C   UNL     1      -3.994   0.571  -0.359  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.117   0.827   0.406  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.040  -0.174   0.638  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.839  -1.438   0.103  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.711  -1.693  -0.665  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.795  -0.686  -0.899  1.00  0.00           C  
HETATM   53  O   UNL     1      -6.745  -2.426   0.330  1.00  0.00           O  
HETATM   54  C   UNL     1      -6.473  -3.702  -0.252  1.00  0.00           C  
HETATM   55  H   UNL     1      -5.273   1.811   0.822  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.916   0.026   1.236  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.552  -2.676  -1.082  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.917  -0.884  -1.496  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.525  -4.081   0.129  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.272  -4.397   0.006  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.414  -3.602  -1.336  1.00  0.00           H  
CONECT    1    2    6    6   22                                       
CONECT    2   19    3    3    1                                       
CONECT    3    2    2    4   23                                       
CONECT    4    3    7    5    5                                       
CONECT    5    4    4    6   10                                       
CONECT    6    1    1    5   24                                       
CONECT    7    4    8   25   26                                       
CONECT    8    7    9   27   28                                       
CONECT    9    8   10   11   29                                       
CONECT   10    5    9   14   30                                       
CONECT   11    9   15   12   31                                       
CONECT   12   11   18   13   17                                       
CONECT   13   14   12   32   33                                       
CONECT   14   10   13   34   35                                       
CONECT   15   11   16   36   37                                       
CONECT   16   15   17   20   38                                       
CONECT   17   12   16   21   39                                       
CONECT   18   12   40   41   42                                       
CONECT   19    2   43                                                 
CONECT   20   16   44   45   47                                       
CONECT   21   17   46                                                 
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    7                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   20   48   52   52                                       
CONECT   48   47   49   49   55                                       
CONECT   49   48   48   50   56                                       
CONECT   50   49   51   51   53                                       
CONECT   51   50   50   52   57                                       
CONECT   52   51   47   47   58                                       
CONECT   53   50   54                                                 
CONECT   54   53   59   60   61                                       
CONECT   55   48                                                      
CONECT   56   49                                                      
CONECT   57   51                                                      
CONECT   58   52                                                      
CONECT   59   54                                                      
CONECT   60   54                                                      
CONECT   61   54                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
