COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -12.893  -0.580  -0.551  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.540  -1.611   0.339  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.292  -1.664   0.883  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.686   0.366  -0.341  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.976   0.403  -0.891  1.00  0.00           C  
HETATM    6  N   UNL     1      10.129  -2.736  -1.216  1.00  0.00           N  
HETATM    7  C   UNL     1      -8.138   0.268   0.763  1.00  0.00           C  
HETATM    8  N   UNL     1      13.443  -2.817   0.365  1.00  0.00           N  
HETATM    9  C   UNL     1      -9.734   1.350  -0.666  1.00  0.00           C  
HETATM   10  C   UNL     1     -16.458  -1.409  -1.419  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.797   0.637   0.572  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.110   0.716   1.048  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.913   1.171   0.211  1.00  0.00           C  
HETATM   14  C   UNL     1       2.800   1.247   0.697  1.00  0.00           C  
HETATM   15  C   UNL     1       6.238   2.053  -0.549  1.00  0.00           C  
HETATM   16  C   UNL     1       8.677   2.557  -0.959  1.00  0.00           C  
HETATM   17  C   UNL     1       9.482   0.534   0.134  1.00  0.00           C  
HETATM   18  C   UNL     1      11.297  -2.555  -0.553  1.00  0.00           C  
HETATM   19  C   UNL     1      13.339  -1.624   0.920  1.00  0.00           C  
HETATM   20  C   UNL     1      11.233  -1.292   0.060  1.00  0.00           C  
HETATM   21  C   UNL     1       5.234   1.529   0.480  1.00  0.00           C  
HETATM   22  C   UNL     1     -14.249  -0.548  -1.132  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.401   0.956   0.263  1.00  0.00           C  
HETATM   24  C   UNL     1       7.656   1.920   0.010  1.00  0.00           C  
HETATM   25  C   UNL     1       9.906   1.624  -0.875  1.00  0.00           C  
HETATM   26  C   UNL     1       9.372  -1.691  -1.053  1.00  0.00           C  
HETATM   27  C   UNL     1      12.460  -3.322  -0.373  1.00  0.00           C  
HETATM   28  C   UNL     1       0.379   0.930   0.996  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.338  -0.676   0.555  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.048  -0.710   1.103  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.490   1.294  -0.122  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.852   0.236   1.309  1.00  0.00           N  
HETATM   33  N   UNL     1      12.268  -0.871   0.780  1.00  0.00           N  
HETATM   34  N   UNL     1      -4.548   0.520   1.064  1.00  0.00           N  
HETATM   35  N   UNL     1       1.525   1.366   0.195  1.00  0.00           N  
HETATM   36  N   UNL     1       3.876   1.656  -0.055  1.00  0.00           N  
HETATM   37  N   UNL     1       2.988   0.747   1.886  1.00  0.00           N  
HETATM   38  N   UNL     1      10.009  -0.771  -0.273  1.00  0.00           N  
HETATM   39  N   UNL     1      12.580  -4.573  -0.953  1.00  0.00           N  
HETATM   40  O   UNL     1     -10.967  -2.665   1.742  1.00  0.00           O  
HETATM   41  O   UNL     1     -15.143  -1.503  -0.810  1.00  0.00           O  
HETATM   42  O   UNL     1     -14.560   0.340  -1.901  1.00  0.00           O  
HETATM   43  O   UNL     1      -5.972   1.104  -0.537  1.00  0.00           O  
HETATM   44  O   UNL     1       9.020   3.876  -0.529  1.00  0.00           O  
HETATM   45  O   UNL     1      11.045   2.338  -0.391  1.00  0.00           O  
HETATM   46  O   UNL     1       8.038   0.530   0.087  1.00  0.00           O  
HETATM   47  H   UNL     1     -13.266  -2.368   0.594  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.253   1.191  -1.575  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.990   2.147  -1.348  1.00  0.00           H  
HETATM   50  H   UNL     1     -16.923  -0.465  -1.135  1.00  0.00           H  
HETATM   51  H   UNL     1     -16.359  -1.453  -2.504  1.00  0.00           H  
HETATM   52  H   UNL     1     -17.078  -2.237  -1.076  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.014  -0.347   1.272  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.139   1.283   1.978  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.883   0.604  -0.719  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.009   2.233  -0.013  1.00  0.00           H  
HETATM   57  H   UNL     1       6.154   1.472  -1.467  1.00  0.00           H  
HETATM   58  H   UNL     1       6.028   3.101  -0.761  1.00  0.00           H  
HETATM   59  H   UNL     1       8.280   2.576  -1.974  1.00  0.00           H  
HETATM   60  H   UNL     1       9.828   0.786   1.136  1.00  0.00           H  
HETATM   61  H   UNL     1      14.161  -1.252   1.513  1.00  0.00           H  
HETATM   62  H   UNL     1       5.444   0.481   0.692  1.00  0.00           H  
HETATM   63  H   UNL     1       5.318   2.110   1.398  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.498   2.018   0.038  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.372   0.389  -0.668  1.00  0.00           H  
HETATM   66  H   UNL     1       7.721   2.389   0.992  1.00  0.00           H  
HETATM   67  H   UNL     1      10.116   1.181  -1.849  1.00  0.00           H  
HETATM   68  H   UNL     1       8.385  -1.569  -1.474  1.00  0.00           H  
HETATM   69  H   UNL     1       0.349   1.497   1.926  1.00  0.00           H  
HETATM   70  H   UNL     1       0.475  -0.132   1.220  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.768  -1.498   1.787  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.763   2.052  -0.376  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.718  -0.075   2.218  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.408   0.148   1.949  1.00  0.00           H  
HETATM   75  H   UNL     1       1.385   1.739  -0.690  1.00  0.00           H  
HETATM   76  H   UNL     1       3.736   2.029  -0.939  1.00  0.00           H  
HETATM   77  H   UNL     1       3.887   0.663   2.240  1.00  0.00           H  
HETATM   78  H   UNL     1      11.856  -4.930  -1.490  1.00  0.00           H  
HETATM   79  H   UNL     1      13.389  -5.093  -0.822  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.597  -3.448   1.311  1.00  0.00           H  
HETATM   81  H   UNL     1       9.703   4.300  -1.067  1.00  0.00           H  
HETATM   82  H   UNL     1      11.318   3.073  -0.957  1.00  0.00           H  
CONECT    1   22    5    2    2                                       
CONECT    2    1    1    3   47                                       
CONECT    3    2   29   29   40                                       
CONECT    4    5    5    9   29                                       
CONECT    5    1    4    4   48                                       
CONECT    6   26   26   18                                            
CONECT    7   31   30   30   32                                       
CONECT    8   19   19   27                                            
CONECT    9    4   31   31   49                                       
CONECT   10   41   50   51   52                                       
CONECT   11   43   43   32   34                                       
CONECT   12   13   23   53   54                                       
CONECT   13   12   28   55   56                                       
CONECT   14   35   36   37   37                                       
CONECT   15   24   21   57   58                                       
CONECT   16   44   25   24   59                                       
CONECT   17   25   46   38   60                                       
CONECT   18   20    6   27   27                                       
CONECT   19   33    8    8   61                                       
CONECT   20   38   33   33   18                                       
CONECT   21   15   36   62   63                                       
CONECT   22   41   42   42    1                                       
CONECT   23   12   34   64   65                                       
CONECT   24   16   15   46   66                                       
CONECT   25   45   16   17   67                                       
CONECT   26   38    6    6   68                                       
CONECT   27   18   18    8   39                                       
CONECT   28   35   13   69   70                                       
CONECT   29    4    3    3   30                                       
CONECT   30   29    7    7   71                                       
CONECT   31    9    9    7   72                                       
CONECT   32   11    7   73                                            
CONECT   33   20   20   19                                            
CONECT   34   11   23   74                                            
CONECT   35   14   28   75                                            
CONECT   36   21   14   76                                            
CONECT   37   14   14   77                                            
CONECT   38   17   26   20                                            
CONECT   39   27   78   79                                            
CONECT   40    3   80                                                 
CONECT   41   22   10                                                 
CONECT   42   22   22                                                 
CONECT   43   11   11                                                 
CONECT   44   16   81                                                 
CONECT   45   25   82                                                 
CONECT   46   24   17                                                 
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   44                                                      
CONECT   82   45                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
