COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.051  -0.214   0.180  1.00  0.00           C  
HETATM    2  C   UNL     1       2.067   0.865  -0.185  1.00  0.00           C  
HETATM    3  C   UNL     1       0.863   1.274  -2.484  1.00  0.00           C  
HETATM    4  C   UNL     1       0.996   1.401  -4.016  1.00  0.00           C  
HETATM    5  C   UNL     1       2.101   2.408  -4.397  1.00  0.00           C  
HETATM    6  C   UNL     1       3.421   1.966  -3.721  1.00  0.00           C  
HETATM    7  C   UNL     1       4.479   2.851  -4.379  1.00  0.00           C  
HETATM    8  C   UNL     1       3.977   3.038  -5.822  1.00  0.00           C  
HETATM    9  C   UNL     1       2.575   2.389  -5.875  1.00  0.00           C  
HETATM   10  C   UNL     1       1.641   3.835  -3.991  1.00  0.00           C  
HETATM   11  C   UNL     1       1.543   2.188   0.426  1.00  0.00           C  
HETATM   12  C   UNL     1       1.357  -1.400   0.727  1.00  0.00           C  
HETATM   13  C   UNL     1       2.757  -1.833   1.028  1.00  0.00           C  
HETATM   14  C   UNL     1       3.804  -0.956   0.338  1.00  0.00           C  
HETATM   15  C   UNL     1       3.452   0.536   0.472  1.00  0.00           C  
HETATM   16  C   UNL     1       4.589   1.448  -0.020  1.00  0.00           C  
HETATM   17  C   UNL     1       4.693   1.600  -1.536  1.00  0.00           C  
HETATM   18  C   UNL     1       3.339   1.943  -2.187  1.00  0.00           C  
HETATM   19  C   UNL     1       2.205   0.959  -1.752  1.00  0.00           C  
HETATM   20  C   UNL     1       1.652   3.049  -6.890  1.00  0.00           C  
HETATM   21  C   UNL     1       0.265   2.398  -6.838  1.00  0.00           C  
HETATM   22  C   UNL     1       2.278   2.972  -8.301  1.00  0.00           C  
HETATM   23  C   UNL     1       1.478   3.661  -9.408  1.00  0.00           C  
HETATM   24  C   UNL     1       2.155   3.620 -10.765  1.00  0.00           C  
HETATM   25  N   UNL     1       1.412   4.247 -11.742  1.00  0.00           N  
HETATM   26  O   UNL     1       3.255   3.114 -10.966  1.00  0.00           O  
HETATM   27  O   UNL     1       2.921  -3.181   0.598  1.00  0.00           O  
HETATM   28  O   UNL     1       5.300   0.442  -2.100  1.00  0.00           O  
HETATM   29  O   UNL     1       1.268   0.097  -4.529  1.00  0.00           O  
HETATM   30  H   UNL     1       0.001   0.004   0.002  1.00  0.00           H  
HETATM   31  H   UNL     1       0.141   0.477  -2.274  1.00  0.00           H  
HETATM   32  H   UNL     1       0.443   2.205  -2.085  1.00  0.00           H  
HETATM   33  H   UNL     1       0.037   1.713  -4.442  1.00  0.00           H  
HETATM   34  H   UNL     1       3.647   0.936  -4.043  1.00  0.00           H  
HETATM   35  H   UNL     1       5.471   2.389  -4.360  1.00  0.00           H  
HETATM   36  H   UNL     1       4.552   3.822  -3.878  1.00  0.00           H  
HETATM   37  H   UNL     1       3.937   4.105  -6.066  1.00  0.00           H  
HETATM   38  H   UNL     1       4.651   2.559  -6.541  1.00  0.00           H  
HETATM   39  H   UNL     1       2.708   1.349  -6.202  1.00  0.00           H  
HETATM   40  H   UNL     1       2.268   4.225  -3.184  1.00  0.00           H  
HETATM   41  H   UNL     1       1.711   4.519  -4.842  1.00  0.00           H  
HETATM   42  H   UNL     1       0.604   3.820  -3.644  1.00  0.00           H  
HETATM   43  H   UNL     1       2.230   2.555   1.195  1.00  0.00           H  
HETATM   44  H   UNL     1       1.447   2.957  -0.346  1.00  0.00           H  
HETATM   45  H   UNL     1       0.562   2.037   0.886  1.00  0.00           H  
HETATM   46  H   UNL     1       0.550  -2.083   0.979  1.00  0.00           H  
HETATM   47  H   UNL     1       2.906  -1.814   2.113  1.00  0.00           H  
HETATM   48  H   UNL     1       4.785  -1.162   0.785  1.00  0.00           H  
HETATM   49  H   UNL     1       3.899  -1.250  -0.715  1.00  0.00           H  
HETATM   50  H   UNL     1       3.364   0.726   1.553  1.00  0.00           H  
HETATM   51  H   UNL     1       4.426   2.446   0.407  1.00  0.00           H  
HETATM   52  H   UNL     1       5.544   1.090   0.384  1.00  0.00           H  
HETATM   53  H   UNL     1       5.392   2.421  -1.737  1.00  0.00           H  
HETATM   54  H   UNL     1       3.060   2.947  -1.836  1.00  0.00           H  
HETATM   55  H   UNL     1       2.504  -0.040  -2.105  1.00  0.00           H  
HETATM   56  H   UNL     1       1.536   4.105  -6.607  1.00  0.00           H  
HETATM   57  H   UNL     1       0.039   1.900  -7.788  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.523   3.137  -6.666  1.00  0.00           H  
HETATM   59  H   UNL     1       0.210   1.647  -6.043  1.00  0.00           H  
HETATM   60  H   UNL     1       2.423   1.918  -8.569  1.00  0.00           H  
HETATM   61  H   UNL     1       3.279   3.423  -8.270  1.00  0.00           H  
HETATM   62  H   UNL     1       1.359   4.720  -9.147  1.00  0.00           H  
HETATM   63  H   UNL     1       0.470   3.239  -9.486  1.00  0.00           H  
HETATM   64  H   UNL     1       0.515   4.658 -11.503  1.00  0.00           H  
HETATM   65  H   UNL     1       1.750   4.304 -12.697  1.00  0.00           H  
HETATM   66  H   UNL     1       3.875  -3.348   0.572  1.00  0.00           H  
HETATM   67  H   UNL     1       5.980   0.155  -1.473  1.00  0.00           H  
HETATM   68  H   UNL     1       2.193  -0.095  -4.314  1.00  0.00           H  
CONECT    1   12   12    2   30                                       
CONECT    2    1   11   15   19                                       
CONECT    3   19    4   31   32                                       
CONECT    4    3   29    5   33                                       
CONECT    5    4   10    6    9                                       
CONECT    6    5   18    7   34                                       
CONECT    7    6    8   35   36                                       
CONECT    8    7    9   37   38                                       
CONECT    9    5    8   20   39                                       
CONECT   10    5   40   41   42                                       
CONECT   11    2   43   44   45                                       
CONECT   12    1    1   13   46                                       
CONECT   13   12   27   14   47                                       
CONECT   14   13   15   48   49                                       
CONECT   15    2   14   16   50                                       
CONECT   16   15   17   51   52                                       
CONECT   17   16   18   28   53                                       
CONECT   18    6   17   19   54                                       
CONECT   19    2    3   18   55                                       
CONECT   20    9   21   22   56                                       
CONECT   21   20   57   58   59                                       
CONECT   22   20   23   60   61                                       
CONECT   23   22   24   62   63                                       
CONECT   24   23   26   26   25                                       
CONECT   25   24   64   65                                            
CONECT   26   24   24                                                 
CONECT   27   13   66                                                 
CONECT   28   17   67                                                 
CONECT   29    4   68                                                 
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
