COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.134   0.026   0.700  1.00  0.00           N  
HETATM    2  N   UNL     1      -5.273  -1.039   1.121  1.00  0.00           N  
HETATM    3  C   UNL     1       3.765   0.339   1.133  1.00  0.00           C  
HETATM    4  C   UNL     1       6.108   0.954   0.779  1.00  0.00           C  
HETATM    5  C   UNL     1       7.507   0.618   0.330  1.00  0.00           C  
HETATM    6  C   UNL     1       8.411   1.837   0.524  1.00  0.00           C  
HETATM    7  C   UNL     1       8.530   2.152   2.016  1.00  0.00           C  
HETATM    8  C   UNL     1      10.521   0.491   0.468  1.00  0.00           C  
HETATM    9  C   UNL     1      11.549   2.060  -1.564  1.00  0.00           C  
HETATM   10  C   UNL     1       5.422  -1.319   0.184  1.00  0.00           C  
HETATM   11  C   UNL     1       0.120  -0.279  -1.322  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.982  -1.392   0.725  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.006  -0.204   0.359  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.435   0.097   0.732  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.965   2.457  -0.740  1.00  0.00           C  
HETATM   16  C   UNL     1     -13.620   1.878  -0.038  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.269   0.158  -0.050  1.00  0.00           C  
HETATM   18  N   UNL     1       0.653  -1.510  -1.102  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.064  -2.470  -0.474  1.00  0.00           C  
HETATM   20  O   UNL     1       0.402  -3.576  -0.271  1.00  0.00           O  
HETATM   21  C   UNL     1       2.017  -1.800  -1.550  1.00  0.00           C  
HETATM   22  C   UNL     1      11.775   0.221  -0.047  1.00  0.00           C  
HETATM   23  C   UNL     1      12.289   1.005  -1.062  1.00  0.00           C  
HETATM   24  C   UNL     1      10.290   2.322  -1.057  1.00  0.00           C  
HETATM   25  C   UNL     1       4.436  -1.636  -0.945  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.897  -0.820  -0.317  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.186  -0.464   0.076  1.00  0.00           C  
HETATM   28  C   UNL     1       3.005  -1.451  -0.435  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.036   1.064  -0.290  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.387   2.784  -0.278  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.691   0.485   0.413  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.507  -2.678   0.987  1.00  0.00           C  
HETATM   33  C   UNL     1       2.799   0.009  -0.009  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.247  -3.044   0.609  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.426  -2.126  -0.046  1.00  0.00           C  
HETATM   36  C   UNL     1       9.778   1.542  -0.037  1.00  0.00           C  
HETATM   37  N   UNL     1      -1.080   0.054  -0.956  1.00  0.00           N  
HETATM   38  N   UNL     1      -9.429   1.357   0.073  1.00  0.00           N  
HETATM   39  N   UNL     1     -12.227   1.585  -0.401  1.00  0.00           N  
HETATM   40  O   UNL     1       2.784  -2.313   0.683  1.00  0.00           O  
HETATM   41  O   UNL     1       5.859   2.059   1.211  1.00  0.00           O  
HETATM   42  O   UNL     1      -5.517   0.305  -0.627  1.00  0.00           O  
HETATM   43  H   UNL     1      -5.642  -1.394   1.945  1.00  0.00           H  
HETATM   44  H   UNL     1       3.513  -0.260   2.009  1.00  0.00           H  
HETATM   45  H   UNL     1       3.693   1.398   1.379  1.00  0.00           H  
HETATM   46  H   UNL     1       7.888  -0.215   0.921  1.00  0.00           H  
HETATM   47  H   UNL     1       7.494   0.339  -0.724  1.00  0.00           H  
HETATM   48  H   UNL     1       7.982   2.694   0.004  1.00  0.00           H  
HETATM   49  H   UNL     1       8.958   1.295   2.536  1.00  0.00           H  
HETATM   50  H   UNL     1       9.174   3.020   2.154  1.00  0.00           H  
HETATM   51  H   UNL     1       7.541   2.365   2.422  1.00  0.00           H  
HETATM   52  H   UNL     1      10.120  -0.121   1.261  1.00  0.00           H  
HETATM   53  H   UNL     1      11.951   2.672  -2.357  1.00  0.00           H  
HETATM   54  H   UNL     1       6.441  -1.353  -0.200  1.00  0.00           H  
HETATM   55  H   UNL     1       5.307  -2.050   0.985  1.00  0.00           H  
HETATM   56  H   UNL     1       0.727   0.460  -1.824  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.012  -0.828   0.739  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.465   0.551   1.722  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.983   2.159  -1.789  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.333   3.338  -0.623  1.00  0.00           H  
HETATM   61  H   UNL     1     -14.014   2.649  -0.700  1.00  0.00           H  
HETATM   62  H   UNL     1     -14.220   0.973  -0.137  1.00  0.00           H  
HETATM   63  H   UNL     1     -13.660   2.229   0.994  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.859  -0.638   0.572  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.290  -0.167  -1.090  1.00  0.00           H  
HETATM   66  H   UNL     1       2.103  -2.859  -1.793  1.00  0.00           H  
HETATM   67  H   UNL     1       2.244  -1.205  -2.435  1.00  0.00           H  
HETATM   68  H   UNL     1      12.354  -0.603   0.345  1.00  0.00           H  
HETATM   69  H   UNL     1      13.270   0.795  -1.464  1.00  0.00           H  
HETATM   70  H   UNL     1       9.710   3.143  -1.452  1.00  0.00           H  
HETATM   71  H   UNL     1       4.614  -0.961  -1.783  1.00  0.00           H  
HETATM   72  H   UNL     1       4.576  -2.667  -1.272  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.561   0.529  -0.124  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.460   1.989  -0.298  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.007   0.610  -1.281  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.366   3.109   0.762  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.797   3.581  -0.899  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.323  -0.396   0.295  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.673   0.782   1.461  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.141  -3.390   1.494  1.00  0.00           H  
HETATM   81  H   UNL     1       1.773   0.146   0.332  1.00  0.00           H  
HETATM   82  H   UNL     1       2.994   0.672  -0.853  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.887  -4.041   0.816  1.00  0.00           H  
HETATM   84  H   UNL     1       1.895  -2.249   1.059  1.00  0.00           H  
CONECT    1    4   10    3                                            
CONECT    2   12   13   43                                            
CONECT    3    1   33   44   45                                       
CONECT    4    5   41   41    1                                       
CONECT    5    6    4   46   47                                       
CONECT    6    7    5   36   48                                       
CONECT    7    6   49   50   51                                       
CONECT    8   36   22   22   52                                       
CONECT    9   24   23   23   53                                       
CONECT   10    1   25   54   55                                       
CONECT   11   18   37   37   56                                       
CONECT   12   32    2   27   27                                       
CONECT   13    2   42   42   14                                       
CONECT   14   13   29   57   58                                       
CONECT   15   38   30   59   60                                       
CONECT   16   39   61   62   63                                       
CONECT   17   38   31   64   65                                       
CONECT   18   19   21   11                                            
CONECT   19   20   20   35   18                                       
CONECT   20   19   19                                                 
CONECT   21   28   18   66   67                                       
CONECT   22    8    8   23   68                                       
CONECT   23    9    9   22   69                                       
CONECT   24   36   36    9   70                                       
CONECT   25   10   28   71   72                                       
CONECT   26   35   35   27   37                                       
CONECT   27   12   12   26   73                                       
CONECT   28   25   33   40   21                                       
CONECT   29   38   14   74   75                                       
CONECT   30   15   39   76   77                                       
CONECT   31   17   39   78   79                                       
CONECT   32   34   34   12   80                                       
CONECT   33    3   28   81   82                                       
CONECT   34   32   32   35   83                                       
CONECT   35   34   19   26   26                                       
CONECT   36    6   24   24    8                                       
CONECT   37   26   11   11                                            
CONECT   38   29   15   17                                            
CONECT   39   30   31   16                                            
CONECT   40   28   84                                                 
CONECT   41    4    4                                                 
CONECT   42   13   13                                                 
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   27                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   40                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
