COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.191  -4.649  -1.903  1.00  0.00           C  
HETATM    2  N   UNL     1       3.813  -1.024   0.873  1.00  0.00           N  
HETATM    3  O   UNL     1       2.517   2.190   2.425  1.00  0.00           O  
HETATM    4  C   UNL     1       6.835  -5.176  -1.429  1.00  0.00           C  
HETATM    5  N   UNL     1       3.277   2.040   0.346  1.00  0.00           N  
HETATM    6  O   UNL     1      -8.788  -5.011  -0.135  1.00  0.00           O  
HETATM    7  C   UNL     1       7.051  -6.302  -0.417  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.255   2.434  -0.545  1.00  0.00           N  
HETATM    9  O   UNL     1      -4.840   1.213  -0.891  1.00  0.00           O  
HETATM   10  C   UNL     1       6.061  -4.058  -0.779  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.852   1.527   0.043  1.00  0.00           N  
HETATM   12  O   UNL     1       1.065   3.371   0.972  1.00  0.00           O  
HETATM   13  C   UNL     1       4.840  -3.678  -1.292  1.00  0.00           C  
HETATM   14  N   UNL     1      -7.056  -2.951   0.670  1.00  0.00           N  
HETATM   15  C   UNL     1       4.125  -2.645  -0.691  1.00  0.00           C  
HETATM   16  C   UNL     1       4.641  -1.990   0.433  1.00  0.00           C  
HETATM   17  C   UNL     1       2.718  -0.840   0.238  1.00  0.00           C  
HETATM   18  C   UNL     1       1.689   0.198   0.604  1.00  0.00           C  
HETATM   19  C   UNL     1       1.999   1.505  -0.130  1.00  0.00           C  
HETATM   20  C   UNL     1       3.434   2.353   1.648  1.00  0.00           C  
HETATM   21  C   UNL     1       4.748   2.904   2.137  1.00  0.00           C  
HETATM   22  C   UNL     1       4.660   3.172   3.641  1.00  0.00           C  
HETATM   23  C   UNL     1       0.904   2.504   0.140  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.320   3.406  -0.283  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.671   2.797  -0.665  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.978   0.808  -0.140  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.164  -0.498   0.587  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.515  -1.106   0.206  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.760  -2.367   1.037  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.037  -3.450  -0.713  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.422  -3.995  -1.072  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.817  -4.560   1.222  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.436  -4.021   1.604  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.042  -1.463   0.199  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.076   4.667  -1.114  1.00  0.00           C  
HETATM   36  C   UNL     1       0.275   5.275  -0.732  1.00  0.00           C  
HETATM   37  S   UNL     1       2.568  -1.918  -1.076  1.00  0.00           S  
HETATM   38  C   UNL     1       5.892  -2.401   0.935  1.00  0.00           C  
HETATM   39  C   UNL     1       6.578  -3.413   0.335  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.188   5.681  -0.841  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.943   6.942  -1.672  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.592   7.551  -1.290  1.00  0.00           C  
HETATM   43  C   UNL     1       0.520   6.536  -1.564  1.00  0.00           C  
HETATM   44  H   UNL     1       8.751  -4.268  -1.049  1.00  0.00           H  
HETATM   45  H   UNL     1       8.751  -5.457  -2.373  1.00  0.00           H  
HETATM   46  H   UNL     1       8.037  -3.846  -2.624  1.00  0.00           H  
HETATM   47  H   UNL     1       6.275  -5.557  -2.283  1.00  0.00           H  
HETATM   48  H   UNL     1       4.010   2.170  -0.275  1.00  0.00           H  
HETATM   49  H   UNL     1       7.610  -5.921   0.437  1.00  0.00           H  
HETATM   50  H   UNL     1       6.084  -6.678  -0.080  1.00  0.00           H  
HETATM   51  H   UNL     1       7.611  -7.111  -0.887  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.385   1.740  -1.210  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.162   1.204   0.643  1.00  0.00           H  
HETATM   54  H   UNL     1       4.438  -4.181  -2.159  1.00  0.00           H  
HETATM   55  H   UNL     1       0.698  -0.154   0.316  1.00  0.00           H  
HETATM   56  H   UNL     1       1.714   0.371   1.680  1.00  0.00           H  
HETATM   57  H   UNL     1       2.061   1.314  -1.201  1.00  0.00           H  
HETATM   58  H   UNL     1       5.540   2.181   1.943  1.00  0.00           H  
HETATM   59  H   UNL     1       4.969   3.835   1.615  1.00  0.00           H  
HETATM   60  H   UNL     1       4.439   2.242   4.164  1.00  0.00           H  
HETATM   61  H   UNL     1       5.611   3.571   3.995  1.00  0.00           H  
HETATM   62  H   UNL     1       3.868   3.895   3.836  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.324   3.664   0.776  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.699   2.621  -1.740  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.470   3.485  -0.389  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.136  -0.322   1.663  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.307  -0.383   0.400  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.511  -1.364  -0.854  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.764  -2.109   2.096  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.967  -3.090   0.842  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.780  -2.636  -1.390  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.299  -4.247  -0.802  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.398  -4.418  -2.077  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.152  -3.186  -1.035  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.558  -3.768   1.326  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.078  -5.391   1.876  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.703  -4.827   1.552  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.469  -3.624   2.619  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.070  -1.639  -0.876  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.080  -1.029   0.471  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.177  -2.408   0.726  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.071   4.409  -2.173  1.00  0.00           H  
HETATM   83  H   UNL     1       0.271   5.533   0.327  1.00  0.00           H  
HETATM   84  H   UNL     1       1.067   4.552  -0.927  1.00  0.00           H  
HETATM   85  H   UNL     1       6.310  -1.910   1.802  1.00  0.00           H  
HETATM   86  H   UNL     1       7.535  -3.718   0.732  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.150   5.248  -1.113  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.192   5.939   0.218  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.939   6.684  -2.731  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.735   7.665  -1.478  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.418   8.449  -1.883  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.596   7.809  -0.231  1.00  0.00           H  
HETATM   93  H   UNL     1       1.482   6.970  -1.291  1.00  0.00           H  
HETATM   94  H   UNL     1       0.524   6.278  -2.622  1.00  0.00           H  
CONECT    1    4   44   45   46                                       
CONECT    2   16   17   17                                            
CONECT    3   20   20                                                 
CONECT    4    1    7   10   47                                       
CONECT    5   20   19   48                                            
CONECT    6   32   31                                                 
CONECT    7    4   49   50   51                                       
CONECT    8   23   24   52                                            
CONECT    9   26   26                                                 
CONECT   10    4   39   39   13                                       
CONECT   11   26   25   53                                            
CONECT   12   23   23                                                 
CONECT   13   10   15   15   54                                       
CONECT   14   29   33   30                                            
CONECT   15   13   13   16   37                                       
CONECT   16   38   38   15    2                                       
CONECT   17   37    2    2   18                                       
CONECT   18   17   19   55   56                                       
CONECT   19    5   18   23   57                                       
CONECT   20   21    3    3    5                                       
CONECT   21   20   22   58   59                                       
CONECT   22   21   60   61   62                                       
CONECT   23   19   12   12    8                                       
CONECT   24    8   35   25   63                                       
CONECT   25   24   11   64   65                                       
CONECT   26   27   11    9    9                                       
CONECT   27   34   26   28   66                                       
CONECT   28   27   29   67   68                                       
CONECT   29   28   14   69   70                                       
CONECT   30   14   31   71   72                                       
CONECT   31   30    6   73   74                                       
CONECT   32   33    6   75   76                                       
CONECT   33   14   32   77   78                                       
CONECT   34   27   79   80   81                                       
CONECT   35   40   24   36   82                                       
CONECT   36   35   43   83   84                                       
CONECT   37   15   17                                                 
CONECT   38   39   16   16   85                                       
CONECT   39   10   10   38   86                                       
CONECT   40   41   35   87   88                                       
CONECT   41   40   42   89   90                                       
CONECT   42   41   43   91   92                                       
CONECT   43   42   36   93   94                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   43                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
