COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.420   1.540  -2.731  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.348   1.153  -4.096  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.581   2.241  -1.976  1.00  0.00           C  
HETATM    4  C   UNL     1       5.647   1.064  -0.061  1.00  0.00           C  
HETATM    5  C   UNL     1       4.332  -2.777   0.718  1.00  0.00           C  
HETATM    6  C   UNL     1       6.180  -3.765  -0.439  1.00  0.00           C  
HETATM    7  C   UNL     1       3.972  -3.929  -1.349  1.00  0.00           C  
HETATM    8  C   UNL     1       1.704  -1.588  -0.873  1.00  0.00           C  
HETATM    9  C   UNL     1       0.193  -1.347  -0.889  1.00  0.00           C  
HETATM   10  C   UNL     1       2.001  -2.921  -0.182  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.112  -0.079  -1.688  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.628   0.099  -1.803  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.421  -0.466  -0.254  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.084  -0.355   1.095  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.934   1.422  -2.508  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.985   1.050  -3.894  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.147   1.745  -3.135  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.218   2.133  -1.771  1.00  0.00           C  
HETATM   19  C   UNL     1       3.652  -0.202  -0.401  1.00  0.00           C  
HETATM   20  C   UNL     1       3.476  -3.217  -0.274  1.00  0.00           C  
HETATM   21  C   UNL     1       5.685  -3.048   0.634  1.00  0.00           C  
HETATM   22  C   UNL     1       5.323  -4.211  -1.428  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.367   0.038   1.852  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.556  -1.458   2.015  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.535   0.511   2.729  1.00  0.00           C  
HETATM   26  C   UNL     1       5.748   2.196  -1.107  1.00  0.00           C  
HETATM   27  C   UNL     1       6.802   3.059   0.753  1.00  0.00           C  
HETATM   28  C   UNL     1       6.396   1.617   1.166  1.00  0.00           C  
HETATM   29  C   UNL     1       5.983   3.146   2.958  1.00  0.00           C  
HETATM   30  C   UNL     1       5.379   1.877   2.306  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.990  -2.823   1.477  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.121  -1.262   3.423  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.563   0.031   4.021  1.00  0.00           C  
HETATM   34  N   UNL     1       2.364  -0.502  -0.143  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.221   0.110  -0.464  1.00  0.00           N  
HETATM   36  N   UNL     1      -5.534  -0.502   0.940  1.00  0.00           N  
HETATM   37  O   UNL     1       0.451   1.052  -1.020  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.968  -1.073  -1.150  1.00  0.00           O  
HETATM   39  O   UNL     1       4.266  -0.831  -1.240  1.00  0.00           O  
HETATM   40  O   UNL     1       4.258   0.796   0.269  1.00  0.00           O  
HETATM   41  O   UNL     1      -7.699  -0.096   1.709  1.00  0.00           O  
HETATM   42  O   UNL     1      -5.916   0.646   2.802  1.00  0.00           O  
HETATM   43  O   UNL     1       5.910   3.400  -0.330  1.00  0.00           O  
HETATM   44  O   UNL     1       6.528   3.912   1.873  1.00  0.00           O  
HETATM   45  H   UNL     1      -5.791   0.766  -5.002  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.205   2.704  -1.225  1.00  0.00           H  
HETATM   47  H   UNL     1       6.132   0.160  -0.429  1.00  0.00           H  
HETATM   48  H   UNL     1       3.945  -2.217   1.557  1.00  0.00           H  
HETATM   49  H   UNL     1       7.237  -3.977  -0.505  1.00  0.00           H  
HETATM   50  H   UNL     1       3.302  -4.277  -2.122  1.00  0.00           H  
HETATM   51  H   UNL     1       2.079  -1.618  -1.896  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.305  -2.198  -1.354  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.167  -1.229   0.133  1.00  0.00           H  
HETATM   54  H   UNL     1       1.707  -2.860   0.866  1.00  0.00           H  
HETATM   55  H   UNL     1       1.439  -3.717  -0.671  1.00  0.00           H  
HETATM   56  H   UNL     1       0.320  -0.164  -2.685  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.047  -0.726  -2.379  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.862   0.619   1.531  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.419   1.450  -3.468  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.593   2.251  -1.888  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.361   0.587  -4.644  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.213   1.821  -3.291  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.777   2.511  -0.861  1.00  0.00           H  
HETATM   64  H   UNL     1       6.355  -2.700   1.406  1.00  0.00           H  
HETATM   65  H   UNL     1       5.709  -4.779  -2.262  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.468  -1.411   2.051  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.299   0.075   3.700  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.351   1.585   2.758  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.584   0.329   2.495  1.00  0.00           H  
HETATM   70  H   UNL     1       6.613   2.041  -1.752  1.00  0.00           H  
HETATM   71  H   UNL     1       4.836   2.246  -1.702  1.00  0.00           H  
HETATM   72  H   UNL     1       7.847   3.115   0.449  1.00  0.00           H  
HETATM   73  H   UNL     1       7.242   0.998   1.465  1.00  0.00           H  
HETATM   74  H   UNL     1       5.209   3.709   3.478  1.00  0.00           H  
HETATM   75  H   UNL     1       6.781   2.873   3.649  1.00  0.00           H  
HETATM   76  H   UNL     1       4.384   2.076   1.907  1.00  0.00           H  
HETATM   77  H   UNL     1       5.358   1.045   3.011  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.588  -2.963   0.474  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.614  -3.608   2.132  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.079  -2.870   1.441  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.208  -1.199   3.373  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.835  -2.106   4.051  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.932   0.149   5.040  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.474  -0.014   4.033  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.885   0.880   3.417  1.00  0.00           H  
HETATM   86  H   UNL     1       1.873   0.000   0.526  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.750   0.532   0.272  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.894  -0.987   0.182  1.00  0.00           H  
HETATM   89  H   UNL     1       0.110   1.189  -0.125  1.00  0.00           H  
CONECT    1   16   15   18   18                                       
CONECT    2   16   16   17   45                                       
CONECT    3   17   17   18   46                                       
CONECT    4   40   26   28   47                                       
CONECT    5   20   20   21   48                                       
CONECT    6   21   21   22   49                                       
CONECT    7   20   22   22   50                                       
CONECT    8    9   34   10   51                                       
CONECT    9   11    8   52   53                                       
CONECT   10    8   20   54   55                                       
CONECT   11   37   12    9   56                                       
CONECT   12   35   15   11   57                                       
CONECT   13   14   35   38   38                                       
CONECT   14   36   24   13   58                                       
CONECT   15    1   12   59   60                                       
CONECT   16    2    2    1   61                                       
CONECT   17    2    3    3   62                                       
CONECT   18    1    1    3   63                                       
CONECT   19   34   40   39   39                                       
CONECT   20   10    5    5    7                                       
CONECT   21    5    6    6   64                                       
CONECT   22    7    7    6   65                                       
CONECT   23   42   42   41   36                                       
CONECT   24   31   14   32   66                                       
CONECT   25   41   67   68   69                                       
CONECT   26   43    4   70   71                                       
CONECT   27   43   44   28   72                                       
CONECT   28    4   27   30   73                                       
CONECT   29   44   30   74   75                                       
CONECT   30   29   28   76   77                                       
CONECT   31   24   78   79   80                                       
CONECT   32   24   33   81   82                                       
CONECT   33   32   83   84   85                                       
CONECT   34    8   19   86                                            
CONECT   35   12   13   87                                            
CONECT   36   23   14   88                                            
CONECT   37   11   89                                                 
CONECT   38   13   13                                                 
CONECT   39   19   19                                                 
CONECT   40   19    4                                                 
CONECT   41   25   23                                                 
CONECT   42   23   23                                                 
CONECT   43   26   27                                                 
CONECT   44   29   27                                                 
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
