COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.526   1.761  -0.521  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.200   0.038  -0.794  1.00  0.00           C  
HETATM    3  C   UNL     1       0.811  -1.332  -0.662  1.00  0.00           C  
HETATM    4  C   UNL     1       1.227  -2.218   1.639  1.00  0.00           C  
HETATM    5  C   UNL     1       2.783  -2.803  -0.224  1.00  0.00           C  
HETATM    6  C   UNL     1       4.906  -1.793  -0.335  1.00  0.00           C  
HETATM    7  C   UNL     1       6.510  -3.074  -1.383  1.00  0.00           C  
HETATM    8  C   UNL     1       7.144  -1.001  -0.600  1.00  0.00           C  
HETATM    9  C   UNL     1       7.793   1.225   0.251  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.803   2.511  -0.374  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.454   1.918  -0.786  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.491   3.049  -1.155  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.873   1.114   0.379  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.524   1.374   0.934  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.130   1.024   0.482  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.459  -0.034   1.071  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.183  -0.359   0.661  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.250   1.446  -0.940  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.568   0.381  -0.350  1.00  0.00           C  
HETATM   20  C   UNL     1       1.323  -2.529   0.142  1.00  0.00           C  
HETATM   21  C   UNL     1       2.125  -1.021   1.962  1.00  0.00           C  
HETATM   22  C   UNL     1       3.562  -1.339   1.543  1.00  0.00           C  
HETATM   23  C   UNL     1       9.019   2.098   0.310  1.00  0.00           C  
HETATM   24  C   UNL     1       9.285   2.987  -0.715  1.00  0.00           C  
HETATM   25  C   UNL     1      10.410   3.788  -0.661  1.00  0.00           C  
HETATM   26  C   UNL     1      11.270   3.700   0.418  1.00  0.00           C  
HETATM   27  C   UNL     1      11.005   2.811   1.443  1.00  0.00           C  
HETATM   28  C   UNL     1       9.876   2.014   1.391  1.00  0.00           C  
HETATM   29  C   UNL     1       5.850  -0.790  -0.136  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.881  -0.635   0.801  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.320  -0.343   0.395  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.967  -1.003  -0.820  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.310  -0.832  -0.085  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.507  -0.815   1.229  1.00  0.00           C  
HETATM   35  N   UNL     1      -7.501   0.626   0.132  1.00  0.00           N  
HETATM   36  N   UNL     1      -0.544  -0.992  -0.222  1.00  0.00           N  
HETATM   37  N   UNL     1       3.601  -1.628   0.104  1.00  0.00           N  
HETATM   38  N   UNL     1       5.273  -2.911  -0.958  1.00  0.00           N  
HETATM   39  N   UNL     1       7.431  -2.148  -1.214  1.00  0.00           N  
HETATM   40  N   UNL     1       8.120  -0.033  -0.426  1.00  0.00           N  
HETATM   41  O   UNL     1       0.531  -3.680  -0.158  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.667   0.684  -1.675  1.00  0.00           O  
HETATM   43  H   UNL     1      -5.056   2.583  -0.980  1.00  0.00           H  
HETATM   44  H   UNL     1       1.470  -0.478  -0.502  1.00  0.00           H  
HETATM   45  H   UNL     1       0.797  -1.585  -1.722  1.00  0.00           H  
HETATM   46  H   UNL     1       0.195  -1.979   1.896  1.00  0.00           H  
HETATM   47  H   UNL     1       1.554  -3.086   2.212  1.00  0.00           H  
HETATM   48  H   UNL     1       3.143  -3.665   0.339  1.00  0.00           H  
HETATM   49  H   UNL     1       2.857  -3.010  -1.292  1.00  0.00           H  
HETATM   50  H   UNL     1       6.775  -3.993  -1.884  1.00  0.00           H  
HETATM   51  H   UNL     1       7.448   1.013   1.263  1.00  0.00           H  
HETATM   52  H   UNL     1       7.006   1.740  -0.301  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.649   3.258   0.405  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.274   2.979  -1.238  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.447   1.718   0.006  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.592   1.264  -1.646  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.278   3.648  -0.269  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.563   2.626  -1.539  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.947   3.679  -1.919  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.990   1.617   1.339  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.641   1.112   1.986  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.690   2.443   0.805  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.936  -0.605   1.853  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.660  -1.184   1.122  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.779   2.022  -1.723  1.00  0.00           H  
HETATM   66  H   UNL     1       1.773  -0.145   1.418  1.00  0.00           H  
HETATM   67  H   UNL     1       2.094  -0.821   3.033  1.00  0.00           H  
HETATM   68  H   UNL     1       4.202  -0.484   1.759  1.00  0.00           H  
HETATM   69  H   UNL     1       3.918  -2.208   2.098  1.00  0.00           H  
HETATM   70  H   UNL     1       8.613   3.056  -1.558  1.00  0.00           H  
HETATM   71  H   UNL     1      10.618   4.482  -1.462  1.00  0.00           H  
HETATM   72  H   UNL     1      12.149   4.326   0.460  1.00  0.00           H  
HETATM   73  H   UNL     1      11.677   2.742   2.285  1.00  0.00           H  
HETATM   74  H   UNL     1       9.669   1.319   2.192  1.00  0.00           H  
HETATM   75  H   UNL     1       5.584   0.129   0.366  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.721  -0.621   1.879  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.466  -1.524   0.324  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.889  -0.412  -1.733  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.673  -2.043  -0.961  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.809   0.112  -0.303  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.972  -1.692  -0.182  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.368  -1.802   1.670  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.859  -0.075   1.948  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.970  -1.507   0.481  1.00  0.00           H  
HETATM   85  H   UNL     1       9.021  -0.188  -0.752  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.407  -3.577   0.052  1.00  0.00           H  
CONECT    1   15   15   18   43                                       
CONECT    2   19   42   42   36                                       
CONECT    3   36   20   44   45                                       
CONECT    4   21   20   46   47                                       
CONECT    5   37   20   48   49                                       
CONECT    6   29   37   38   38                                       
CONECT    7   39   39   38   50                                       
CONECT    8   40   29   29   39                                       
CONECT    9   23   40   51   52                                       
CONECT   10   11   53   54   55                                       
CONECT   11   12   10   13   56                                       
CONECT   12   11   57   58   59                                       
CONECT   13   11   35   31   60                                       
CONECT   14   35   15   61   62                                       
CONECT   15   14    1    1   16                                       
CONECT   16   15   17   17   63                                       
CONECT   17   16   16   19   64                                       
CONECT   18    1   19   19   65                                       
CONECT   19   18   18   17    2                                       
CONECT   20    4    5    3   41                                       
CONECT   21   22    4   66   67                                       
CONECT   22   21   37   68   69                                       
CONECT   23   28    9   24   24                                       
CONECT   24   23   23   25   70                                       
CONECT   25   26   26   24   71                                       
CONECT   26   27   25   25   72                                       
CONECT   27   28   28   26   73                                       
CONECT   28   27   27   23   74                                       
CONECT   29    8    8    6   75                                       
CONECT   30   35   31   76   77                                       
CONECT   31   13   34   30   32                                       
CONECT   32   31   33   78   79                                       
CONECT   33   34   32   80   81                                       
CONECT   34   31   33   82   83                                       
CONECT   35   13   14   30                                            
CONECT   36    2    3   84                                            
CONECT   37   22    6    5                                            
CONECT   38    6    6    7                                            
CONECT   39    8    7    7                                            
CONECT   40    9    8   85                                            
CONECT   41   20   86                                                 
CONECT   42    2    2                                                 
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   36                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
