COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.438  -1.040   2.147  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.052  -0.682   0.792  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.803   0.646   0.907  1.00  0.00           C  
HETATM    4  O   UNL     1      -5.168   1.141   1.197  1.00  0.00           O  
HETATM    5  O   UNL     1      -1.293   1.555  -1.908  1.00  0.00           O  
HETATM    6  O   UNL     1      -1.672   1.893   1.760  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.272  -2.456  -2.020  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.219  -1.724  -3.191  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.890  -0.381  -3.161  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.426  -0.485   1.388  1.00  0.00           C  
HETATM   11  C   UNL     1       0.979  -0.068   1.037  1.00  0.00           C  
HETATM   12  C   UNL     1       1.555   1.016   1.674  1.00  0.00           C  
HETATM   13  C   UNL     1       2.841   1.404   1.357  1.00  0.00           C  
HETATM   14  C   UNL     1       3.560   0.700   0.391  1.00  0.00           C  
HETATM   15  C   UNL     1       2.974  -0.393  -0.247  1.00  0.00           C  
HETATM   16  C   UNL     1       1.689  -0.773   0.082  1.00  0.00           C  
HETATM   17  C   UNL     1       4.942   1.111   0.046  1.00  0.00           C  
HETATM   18  C   UNL     1       5.977   0.160   0.022  1.00  0.00           C  
HETATM   19  C   UNL     1       7.271   0.560  -0.305  1.00  0.00           C  
HETATM   20  C   UNL     1       7.529   1.883  -0.604  1.00  0.00           C  
HETATM   21  C   UNL     1       6.509   2.819  -0.580  1.00  0.00           C  
HETATM   22  C   UNL     1       5.220   2.439  -0.263  1.00  0.00           C  
HETATM   23  C   UNL     1       5.695  -1.255   0.343  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.962   1.303   0.741  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.986   1.879  -0.202  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.919   0.825  -0.609  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.983   0.532   0.165  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.943  -0.552  -0.253  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.988  -1.739   0.384  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.367   0.125   0.445  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.659  -0.505  -0.772  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.992  -1.849  -0.809  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.611   0.234  -1.952  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.297   2.450  -1.440  1.00  0.00           C  
HETATM   35  N   UNL     1       6.593  -2.272   0.364  1.00  0.00           N  
HETATM   36  N   UNL     1       5.851  -3.411   0.721  1.00  0.00           N  
HETATM   37  N   UNL     1       4.630  -3.028   0.881  1.00  0.00           N  
HETATM   38  N   UNL     1       4.525  -1.766   0.667  1.00  0.00           N  
HETATM   39  H   UNL     1      -5.744  -0.256   2.449  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.228  -1.133   2.891  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.903  -1.986   2.064  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.108   1.431   1.210  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.241   0.901  -0.058  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.593   0.554   1.652  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.532  -3.503  -2.050  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.437  -2.203  -4.135  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.850   0.187  -4.078  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.507  -1.571   1.331  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.660  -0.156   2.400  1.00  0.00           H  
HETATM   50  H   UNL     1       0.998   1.561   2.421  1.00  0.00           H  
HETATM   51  H   UNL     1       3.290   2.251   1.854  1.00  0.00           H  
HETATM   52  H   UNL     1       3.526  -0.942  -0.996  1.00  0.00           H  
HETATM   53  H   UNL     1       1.235  -1.619  -0.412  1.00  0.00           H  
HETATM   54  H   UNL     1       8.072  -0.164  -0.325  1.00  0.00           H  
HETATM   55  H   UNL     1       8.534   2.191  -0.853  1.00  0.00           H  
HETATM   56  H   UNL     1       6.722   3.851  -0.815  1.00  0.00           H  
HETATM   57  H   UNL     1       4.429   3.174  -0.247  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.537   2.672   0.303  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.771   0.338  -1.434  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.409  -1.499  -0.336  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.381  -0.297  -1.218  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.505  -2.613   0.239  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.731  -1.844   1.059  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.033  -2.422   0.106  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.838   3.406  -1.187  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.037   2.605  -2.225  1.00  0.00           H  
HETATM   67  H   UNL     1       7.542  -2.223   0.174  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    3   29    1   28                                       
CONECT    3    2   42   43   44                                       
CONECT    4   27   27                                                 
CONECT    5   33   34                                                 
CONECT    6   24   24                                                 
CONECT    7   32    8    8   45                                       
CONECT    8    7    7    9   46                                       
CONECT    9   33   33    8   47                                       
CONECT   10   11   30   48   49                                       
CONECT   11   16   16   12   10                                       
CONECT   12   13   13   11   50                                       
CONECT   13   14   12   12   51                                       
CONECT   14   17   15   15   13                                       
CONECT   15   14   14   16   52                                       
CONECT   16   15   11   11   53                                       
CONECT   17   22   22   18   14                                       
CONECT   18   19   19   17   23                                       
CONECT   19   20   18   18   54                                       
CONECT   20   21   21   19   55                                       
CONECT   21   20   20   22   56                                       
CONECT   22   21   17   17   57                                       
CONECT   23   18   38   38   35                                       
CONECT   24    6    6   30   25                                       
CONECT   25   24   26   34   58                                       
CONECT   26   27   25   59                                            
CONECT   27   28   26    4    4                                       
CONECT   28    2   27   60   61                                       
CONECT   29    2   62   63                                            
CONECT   30   10   24   31                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31    7   64                                       
CONECT   33   31    5    9    9                                       
CONECT   34   25    5   65   66                                       
CONECT   35   23   36   67                                            
CONECT   36   35   37   37                                            
CONECT   37   38   36   36                                            
CONECT   38   23   23   37                                            
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
