COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.749  -2.488   0.561  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.114  -2.040   0.779  1.00  0.00           N  
HETATM    3  C   UNL     1      -7.180  -1.258   0.516  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.574  -0.690   0.449  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.044   0.274  -1.176  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.955   0.273   1.365  1.00  0.00           C  
HETATM    7  C   UNL     1       2.731   1.808  -0.128  1.00  0.00           C  
HETATM    8  C   UNL     1       4.388   2.552   1.412  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.076   1.118  -2.429  1.00  0.00           C  
HETATM   10  C   UNL     1       1.270   0.892  -1.738  1.00  0.00           C  
HETATM   11  C   UNL     1       0.420   1.796   0.343  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.952   2.048  -0.285  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.199   1.019  -1.392  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.414  -0.772  -0.411  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.503  -2.045   0.149  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.837  -1.635   0.385  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.570  -1.745   0.838  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.119  -0.690  -0.821  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.425   1.237  -0.261  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.880   1.236   1.010  1.00  0.00           C  
HETATM   21  C   UNL     1       3.114   2.685   0.887  1.00  0.00           C  
HETATM   22  C   UNL     1       5.208   1.550   0.894  1.00  0.00           C  
HETATM   23  C   UNL     1       7.329   0.479   0.822  1.00  0.00           C  
HETATM   24  C   UNL     1       8.759   0.372   1.284  1.00  0.00           C  
HETATM   25  C   UNL     1       9.464  -0.700   0.493  1.00  0.00           C  
HETATM   26  C   UNL     1      10.111  -0.377  -0.685  1.00  0.00           C  
HETATM   27  C   UNL     1      10.758  -1.360  -1.410  1.00  0.00           C  
HETATM   28  C   UNL     1      10.757  -2.666  -0.958  1.00  0.00           C  
HETATM   29  C   UNL     1      10.110  -2.989   0.221  1.00  0.00           C  
HETATM   30  C   UNL     1       9.469  -2.005   0.949  1.00  0.00           C  
HETATM   31  N   UNL     1       1.459   1.902  -0.689  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.657  -0.442  -0.157  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.502  -0.029  -0.534  1.00  0.00           N  
HETATM   34  N   UNL     1       6.502   1.378   1.392  1.00  0.00           N  
HETATM   35  N   UNL     1       4.761   0.767  -0.074  1.00  0.00           N  
HETATM   36  N   UNL     1       3.580   0.890  -0.561  1.00  0.00           N  
HETATM   37  O   UNL     1      -1.214  -0.294  -0.828  1.00  0.00           O  
HETATM   38  O   UNL     1      -7.021  -0.163   0.019  1.00  0.00           O  
HETATM   39  O   UNL     1       6.922  -0.245  -0.062  1.00  0.00           O  
HETATM   40  H   UNL     1      -3.873  -3.466   1.001  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.234  -2.883   1.243  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.470   0.274  -2.169  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.529   0.272   2.358  1.00  0.00           H  
HETATM   44  H   UNL     1       4.736   3.205   2.199  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.090   2.107  -2.886  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.224   0.359  -3.197  1.00  0.00           H  
HETATM   47  H   UNL     1       1.288  -0.102  -1.293  1.00  0.00           H  
HETATM   48  H   UNL     1       2.073   0.976  -2.471  1.00  0.00           H  
HETATM   49  H   UNL     1       0.604   2.536   1.122  1.00  0.00           H  
HETATM   50  H   UNL     1       0.442   0.797   0.779  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.725   1.954   0.478  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.980   3.052  -0.708  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.157   1.221  -1.871  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.627  -2.666   0.258  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.771  -2.661   0.283  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.646  -1.943   1.907  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.821  -1.442  -1.537  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.147   1.990  -0.538  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.178   1.988   1.726  1.00  0.00           H  
HETATM   60  H   UNL     1       2.438   3.444   1.252  1.00  0.00           H  
HETATM   61  H   UNL     1       9.262   1.327   1.131  1.00  0.00           H  
HETATM   62  H   UNL     1       8.781   0.116   2.343  1.00  0.00           H  
HETATM   63  H   UNL     1      10.111   0.644  -1.039  1.00  0.00           H  
HETATM   64  H   UNL     1      11.263  -1.108  -2.331  1.00  0.00           H  
HETATM   65  H   UNL     1      11.262  -3.434  -1.525  1.00  0.00           H  
HETATM   66  H   UNL     1      10.110  -4.009   0.574  1.00  0.00           H  
HETATM   67  H   UNL     1       8.963  -2.257   1.869  1.00  0.00           H  
HETATM   68  H   UNL     1       6.805   1.904   2.148  1.00  0.00           H  
CONECT    1   16   16   15   40                                       
CONECT    2   16    3   41                                            
CONECT    3    2   17   38   38                                       
CONECT    4    6   17   18   18                                       
CONECT    5   19   19   18   42                                       
CONECT    6   20   20    4   43                                       
CONECT    7   21   31   36   36                                       
CONECT    8   21   21   22   44                                       
CONECT    9   10   13   45   46                                       
CONECT   10    9   31   47   48                                       
CONECT   11   31   12   49   50                                       
CONECT   12   13   11   51   52                                       
CONECT   13    9   37   12   53                                       
CONECT   14   33   37   15   15                                       
CONECT   15   14   14    1   54                                       
CONECT   16   32    2    1    1                                       
CONECT   17    3    4   55   56                                       
CONECT   18    4    4    5   57                                       
CONECT   19   20    5    5   58                                       
CONECT   20    6    6   19   59                                       
CONECT   21    8    8    7   60                                       
CONECT   22    8   34   35   35                                       
CONECT   23   24   34   39   39                                       
CONECT   24   25   23   61   62                                       
CONECT   25   30   24   26   26                                       
CONECT   26   25   25   27   63                                       
CONECT   27   28   28   26   64                                       
CONECT   28   29   27   27   65                                       
CONECT   29   30   30   28   66                                       
CONECT   30   29   29   25   67                                       
CONECT   31   10    7   11                                            
CONECT   32   33   33   16                                            
CONECT   33   32   32   14                                            
CONECT   34   23   22   68                                            
CONECT   35   22   22   36                                            
CONECT   36    7    7   35                                            
CONECT   37   13   14                                                 
CONECT   38    3    3                                                 
CONECT   39   23   23                                                 
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
