COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.769  -1.202  -2.162  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.792  -2.485  -2.995  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.683  -3.553  -2.352  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.902  -4.308  -1.293  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.578  -4.425   0.060  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.033  -3.355   1.012  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.586  -3.590   2.417  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.424  -2.326   3.262  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.529   0.005   2.681  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.582   0.935   1.533  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.740   0.481   0.229  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.788   1.380  -0.832  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.664   2.752  -0.571  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.518   3.207   0.729  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.482   2.309   1.782  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.455   5.412  -0.162  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.318   6.863   0.305  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.969   0.958  -2.230  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.483  -1.381   2.017  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.560  -1.118   3.071  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.973  -2.932  -1.845  1.00  0.00           C  
HETATM   22  C   UNL     1       0.651  -0.619  -2.200  1.00  0.00           C  
HETATM   23  C   UNL     1       0.697   0.666  -1.372  1.00  0.00           C  
HETATM   24  C   UNL     1       2.141   1.165  -1.284  1.00  0.00           C  
HETATM   25  C   UNL     1       2.167   2.534  -0.602  1.00  0.00           C  
HETATM   26  C   UNL     1       2.962   0.189  -0.482  1.00  0.00           C  
HETATM   27  C   UNL     1       5.070  -0.526   0.508  1.00  0.00           C  
HETATM   28  C   UNL     1       6.514  -0.027   0.596  1.00  0.00           C  
HETATM   29  C   UNL     1       7.347  -1.019   1.411  1.00  0.00           C  
HETATM   30  C   UNL     1       8.791  -0.520   1.498  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.692  -0.234  -2.745  1.00  0.00           N  
HETATM   32  N   UNL     1      -2.155  -1.208   2.620  1.00  0.00           N  
HETATM   33  N   UNL     1       4.272   0.423  -0.272  1.00  0.00           N  
HETATM   34  O   UNL     1      -1.409   4.542   0.971  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.422   1.798  -3.007  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.871   0.312   3.662  1.00  0.00           O  
HETATM   37  O   UNL     1       1.010  -0.328  -3.552  1.00  0.00           O  
HETATM   38  O   UNL     1       2.443  -0.808  -0.025  1.00  0.00           O  
HETATM   39  H   UNL     1      -1.025  -1.421  -1.133  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.158  -2.267  -3.999  1.00  0.00           H  
HETATM   41  H   UNL     1       0.227  -2.878  -3.066  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.948  -4.275  -3.154  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.692  -5.324  -1.667  1.00  0.00           H  
HETATM   44  H   UNL     1       0.075  -3.819  -1.155  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.655  -4.406   0.033  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.304  -5.409   0.495  1.00  0.00           H  
HETATM   47  H   UNL     1       0.056  -3.420   1.035  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.323  -2.370   0.657  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.634  -3.878   2.365  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.029  -4.407   2.886  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.825  -2.497   4.261  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.363  -2.076   3.345  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.834  -0.578   0.042  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.676   3.453  -1.394  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.390   2.665   2.796  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.405   5.285  -0.680  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.636   5.170  -0.839  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.353   7.527  -0.559  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.137   7.105   0.982  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.368   6.990   0.823  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.582  -2.400   1.642  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.602  -0.678   1.193  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.546  -1.247   2.624  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.441  -1.822   3.895  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.461  -0.100   3.446  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.509  -2.477  -2.678  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.595  -3.704  -1.392  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.741  -2.169  -1.102  1.00  0.00           H  
HETATM   69  H   UNL     1       1.352  -1.344  -1.786  1.00  0.00           H  
HETATM   70  H   UNL     1       0.078   1.427  -1.847  1.00  0.00           H  
HETATM   71  H   UNL     1       0.320   0.466  -0.369  1.00  0.00           H  
HETATM   72  H   UNL     1       2.557   1.251  -2.288  1.00  0.00           H  
HETATM   73  H   UNL     1       1.522   3.224  -1.147  1.00  0.00           H  
HETATM   74  H   UNL     1       1.809   2.437   0.423  1.00  0.00           H  
HETATM   75  H   UNL     1       3.187   2.918  -0.596  1.00  0.00           H  
HETATM   76  H   UNL     1       5.052  -1.502   0.022  1.00  0.00           H  
HETATM   77  H   UNL     1       4.654  -0.612   1.512  1.00  0.00           H  
HETATM   78  H   UNL     1       6.930   0.059  -0.408  1.00  0.00           H  
HETATM   79  H   UNL     1       6.532   0.948   1.082  1.00  0.00           H  
HETATM   80  H   UNL     1       6.931  -1.105   2.414  1.00  0.00           H  
HETATM   81  H   UNL     1       7.329  -1.994   0.925  1.00  0.00           H  
HETATM   82  H   UNL     1       8.809   0.456   1.984  1.00  0.00           H  
HETATM   83  H   UNL     1       9.385  -1.226   2.079  1.00  0.00           H  
HETATM   84  H   UNL     1       9.207  -0.434   0.495  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.137  -0.482  -3.585  1.00  0.00           H  
HETATM   86  H   UNL     1       4.687   1.220  -0.637  1.00  0.00           H  
HETATM   87  H   UNL     1       0.428   0.311  -3.985  1.00  0.00           H  
CONECT    1   22    2   31   39                                       
CONECT    2    1    3   40   41                                       
CONECT    3   21    2    4   42                                       
CONECT    4    3    5   43   44                                       
CONECT    5    4    6   45   46                                       
CONECT    6    5    7   47   48                                       
CONECT    7    6    8   49   50                                       
CONECT    8    7   32   51   52                                       
CONECT    9   10   32   36   36                                       
CONECT   10   11   11   15    9                                       
CONECT   11   12   10   10   53                                       
CONECT   12   18   13   13   11                                       
CONECT   13   12   12   14   54                                       
CONECT   14   13   34   15   15                                       
CONECT   15   14   14   10   55                                       
CONECT   16   34   17   56   57                                       
CONECT   17   16   58   59   60                                       
CONECT   18   35   35   31   12                                       
CONECT   19   32   20   61   62                                       
CONECT   20   19   63   64   65                                       
CONECT   21    3   66   67   68                                       
CONECT   22   23    1   37   69                                       
CONECT   23   24   22   70   71                                       
CONECT   24   26   25   23   72                                       
CONECT   25   24   73   74   75                                       
CONECT   26   33   38   38   24                                       
CONECT   27   28   33   76   77                                       
CONECT   28   29   27   78   79                                       
CONECT   29   30   28   80   81                                       
CONECT   30   29   82   83   84                                       
CONECT   31    1   18   85                                            
CONECT   32    8    9   19                                            
CONECT   33   27   26   86                                            
CONECT   34   14   16                                                 
CONECT   35   18   18                                                 
CONECT   36    9    9                                                 
CONECT   37   22   87                                                 
CONECT   38   26   26                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   33                                                      
CONECT   87   37                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
