COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.554  -0.127  -0.929  1.00  0.00           C  
HETATM    2  O   UNL     1       8.317  -1.074  -0.210  1.00  0.00           O  
HETATM    3  C   UNL     1       9.633  -0.228  -1.976  1.00  0.00           C  
HETATM    4  N   UNL     1       7.849   1.014  -0.795  1.00  0.00           N  
HETATM    5  C   UNL     1       6.724   1.074   0.141  1.00  0.00           C  
HETATM    6  C   UNL     1       5.490   0.513  -0.518  1.00  0.00           C  
HETATM    7  O   UNL     1       5.545   0.103  -1.658  1.00  0.00           O  
HETATM    8  C   UNL     1       6.471   2.529   0.542  1.00  0.00           C  
HETATM    9  C   UNL     1       7.650   3.046   1.326  1.00  0.00           C  
HETATM   10  O   UNL     1       8.547   2.297   1.632  1.00  0.00           O  
HETATM   11  O   UNL     1       7.703   4.339   1.684  1.00  0.00           O  
HETATM   12  N   UNL     1       4.326   0.467   0.160  1.00  0.00           N  
HETATM   13  C   UNL     1       3.127  -0.079  -0.481  1.00  0.00           C  
HETATM   14  C   UNL     1       1.900   0.508   0.168  1.00  0.00           C  
HETATM   15  O   UNL     1       2.016   1.303   1.077  1.00  0.00           O  
HETATM   16  C   UNL     1       3.111  -1.600  -0.322  1.00  0.00           C  
HETATM   17  C   UNL     1       4.290  -2.205  -1.087  1.00  0.00           C  
HETATM   18  C   UNL     1       4.274  -3.704  -0.930  1.00  0.00           C  
HETATM   19  O   UNL     1       3.408  -4.234  -0.274  1.00  0.00           O  
HETATM   20  O   UNL     1       5.221  -4.451  -1.520  1.00  0.00           O  
HETATM   21  N   UNL     1       0.674   0.148  -0.261  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.519   0.718   0.370  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.682  -0.224   0.189  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.567  -1.198  -0.524  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.847   2.064  -0.280  1.00  0.00           C  
HETATM   26  C   UNL     1       0.258   3.070   0.047  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.944   1.887  -1.797  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.849   0.017   0.818  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.245  -0.180   0.490  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.294   1.005   0.714  1.00  0.00           O  
HETATM   31  C   UNL     1     -10.870   0.529   0.333  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.919   1.422   0.220  1.00  0.00           C  
HETATM   33  C   UNL     1     -12.126   2.100  -0.967  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.283   1.885  -2.041  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.233   0.993  -1.928  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.472  -0.906   0.003  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.679  -3.433   3.174  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.634   0.082  -0.122  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.951  -2.569   1.274  1.00  0.00           O  
HETATM   40  C   UNL     1      -8.880  -0.655  -0.617  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.024   0.319  -0.740  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.956  -0.934   0.697  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.054  -1.769   1.975  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.818  -2.620   2.115  1.00  0.00           C  
HETATM   45  H   UNL     1      10.086  -1.218  -1.937  1.00  0.00           H  
HETATM   46  H   UNL     1       9.198  -0.065  -2.962  1.00  0.00           H  
HETATM   47  H   UNL     1      10.395   0.528  -1.786  1.00  0.00           H  
HETATM   48  H   UNL     1       8.086   1.795  -1.319  1.00  0.00           H  
HETATM   49  H   UNL     1       6.959   0.488   1.030  1.00  0.00           H  
HETATM   50  H   UNL     1       6.338   3.135  -0.354  1.00  0.00           H  
HETATM   51  H   UNL     1       5.573   2.586   1.156  1.00  0.00           H  
HETATM   52  H   UNL     1       8.478   4.624   2.186  1.00  0.00           H  
HETATM   53  H   UNL     1       4.282   0.795   1.071  1.00  0.00           H  
HETATM   54  H   UNL     1       3.134   0.176  -1.541  1.00  0.00           H  
HETATM   55  H   UNL     1       3.194  -1.856   0.734  1.00  0.00           H  
HETATM   56  H   UNL     1       2.177  -1.997  -0.720  1.00  0.00           H  
HETATM   57  H   UNL     1       4.207  -1.950  -2.143  1.00  0.00           H  
HETATM   58  H   UNL     1       5.223  -1.808  -0.689  1.00  0.00           H  
HETATM   59  H   UNL     1       5.169  -5.408  -1.390  1.00  0.00           H  
HETATM   60  H   UNL     1       0.581  -0.488  -0.988  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.333   0.864   1.434  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.798   2.431   0.105  1.00  0.00           H  
HETATM   63  H   UNL     1       1.187   2.758  -0.431  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.027   4.055  -0.323  1.00  0.00           H  
HETATM   65  H   UNL     1       0.402   3.115   1.126  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.731   1.170  -2.030  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.177   2.846  -2.260  1.00  0.00           H  
HETATM   68  H   UNL     1       0.008   1.520  -2.181  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.955   0.820   1.352  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.709  -0.001   1.260  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.578   1.590   1.059  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.946   2.797  -1.055  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.445   2.414  -2.969  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.575   0.824  -2.768  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.268  -1.352  -0.971  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.737  -1.690   0.712  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.869  -3.960   3.220  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.838   0.528   0.852  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.369   0.866  -0.832  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.676  -1.100  -1.590  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.144  -1.439   0.093  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.779  -1.591  -0.154  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.138  -1.106   2.837  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.933  -2.411   1.924  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   45   46   47                                       
CONECT    4    5   48    1                                            
CONECT    5    4    6    8   49                                       
CONECT    6    5    7    7   12                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   50   51                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   52                                                 
CONECT   12   13   53    6                                            
CONECT   13   12   14   16   54                                       
CONECT   14   13   15   15   21                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   55   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   59                                                 
CONECT   21   22   60   14                                            
CONECT   22   21   23   25   61                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   27   62                                       
CONECT   26   25   63   64   65                                       
CONECT   27   25   66   67   68                                       
CONECT   28   69   42   23                                            
CONECT   29   36   42   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   70   32   32   41                                       
CONECT   32   31   31   71   33                                       
CONECT   33   32   72   34   34                                       
CONECT   34   33   33   35   73                                       
CONECT   35   34   41   41   74                                       
CONECT   36   29   75   76   38                                       
CONECT   37   77   44                                                 
CONECT   38   36   40   78   79                                       
CONECT   39   44   44                                                 
CONECT   40   38   80   81   41                                       
CONECT   41   35   35   31   40                                       
CONECT   42   29   28   82   43                                       
CONECT   43   42   44   83   84                                       
CONECT   44   39   39   43   37                                       
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   40                                                      
CONECT   81   40                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
