COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.143  -6.992  -0.032  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.346  -7.928  -0.162  1.00  0.00           C  
HETATM    3  C   UNL     1       9.556   3.726  -0.482  1.00  0.00           C  
HETATM    4  C   UNL     1       8.473   4.147   0.267  1.00  0.00           C  
HETATM    5  C   UNL     1       9.453   2.599  -1.275  1.00  0.00           C  
HETATM    6  C   UNL     1       7.288   3.435   0.228  1.00  0.00           C  
HETATM    7  C   UNL     1       8.267   1.890  -1.318  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.595   1.760   0.755  1.00  0.00           C  
HETATM    9  C   UNL     1       0.712   1.329   0.682  1.00  0.00           C  
HETATM   10  C   UNL     1       4.587  -1.656   0.291  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.370  -0.512   0.551  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.921  -3.159   0.251  1.00  0.00           C  
HETATM   13  C   UNL     1       5.893   1.531  -0.607  1.00  0.00           C  
HETATM   14  C   UNL     1       5.908   0.446   0.471  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.431  -4.598   0.081  1.00  0.00           C  
HETATM   16  N   UNL     1       3.445   0.266   0.511  1.00  0.00           N  
HETATM   17  C   UNL     1       7.187   2.304  -0.560  1.00  0.00           C  
HETATM   18  C   UNL     1       4.615  -0.326   0.424  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.638   0.844   0.690  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.062  -0.953   0.466  1.00  0.00           C  
HETATM   21  C   UNL     1       0.991  -0.031   0.537  1.00  0.00           C  
HETATM   22  C   UNL     1       2.390  -0.497   0.458  1.00  0.00           C  
HETATM   23  O   UNL     1       0.202  -2.277   0.315  1.00  0.00           O  
HETATM   24  S   UNL     1       2.902  -2.172   0.272  1.00  0.00           S  
HETATM   25  C   UNL     1      -4.721   2.556   0.876  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.964   1.289   0.766  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.649   3.742   0.942  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.073   1.265   0.869  1.00  0.00           N1+
HETATM   29  C   UNL     1      -5.938   4.243  -0.475  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.072   7.103  -1.761  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.879   5.447  -0.408  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.168   5.947  -1.825  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.633  -5.542   0.013  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.444  -5.247  -1.252  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.610  -6.233  -1.346  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.445   0.758   0.930  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.370   2.588   0.806  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.012   0.542   0.800  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.089  -7.606  -1.387  1.00  0.00           N  
HETATM   40  H   UNL     1      -0.600  -7.221   0.885  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.482  -7.128  -0.889  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.000  -8.961  -0.208  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.999  -7.803   0.702  1.00  0.00           H  
HETATM   44  H   UNL     1      10.482   4.282  -0.451  1.00  0.00           H  
HETATM   45  H   UNL     1       8.552   5.030   0.883  1.00  0.00           H  
HETATM   46  H   UNL     1      10.299   2.270  -1.860  1.00  0.00           H  
HETATM   47  H   UNL     1       6.442   3.763   0.813  1.00  0.00           H  
HETATM   48  H   UNL     1       8.186   1.009  -1.936  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.809   2.812   0.868  1.00  0.00           H  
HETATM   50  H   UNL     1       1.521   2.043   0.736  1.00  0.00           H  
HETATM   51  H   UNL     1       5.448  -2.302   0.206  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.184  -1.220   0.497  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.549  -2.887  -0.597  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.499  -3.079   1.172  1.00  0.00           H  
HETATM   55  H   UNL     1       5.782   1.068  -1.587  1.00  0.00           H  
HETATM   56  H   UNL     1       5.059   2.210  -0.429  1.00  0.00           H  
HETATM   57  H   UNL     1       6.743  -0.232   0.293  1.00  0.00           H  
HETATM   58  H   UNL     1       6.019   0.909   1.452  1.00  0.00           H  
HETATM   59  H   UNL     1       0.147  -4.679  -0.840  1.00  0.00           H  
HETATM   60  H   UNL     1       0.198  -4.871   0.929  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.582   3.447   1.420  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.180   4.538   1.520  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.004   4.538  -0.954  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.406   3.446  -1.053  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.278   7.453  -2.685  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.919   6.873  -1.264  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.813   5.152   0.070  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.410   6.243   0.170  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.637   5.151  -2.403  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.234   6.242  -2.304  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.260  -5.397   0.892  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.832  -4.229  -1.206  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.805  -5.354  -2.128  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.256  -6.116  -0.477  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.181  -6.035  -2.253  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.839   0.651  -0.081  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.452  -0.213   1.427  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.067   1.456   1.490  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.741   3.466   0.787  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.517  -7.752  -2.205  1.00  0.00           H  
CONECT    1   33    2   40   41                                       
CONECT    2    1   39   42   43                                       
CONECT    3    5    4    4   44                                       
CONECT    4    3    3    6   45                                       
CONECT    5    7    7    3   46                                       
CONECT    6   17   17    4   47                                       
CONECT    7    5    5   17   48                                       
CONECT    8   19   19    9   49                                       
CONECT    9    8   21   21   50                                       
CONECT   10   24   18   18   51                                       
CONECT   11   19   20   20   52                                       
CONECT   12   23   15   53   54                                       
CONECT   13   14   17   55   56                                       
CONECT   14   18   13   57   58                                       
CONECT   15   12   33   59   60                                       
CONECT   16   22   22   18                                            
CONECT   17    7   13    6    6                                       
CONECT   18   16   14   10   10                                       
CONECT   19   26    8    8   11                                       
CONECT   20   11   11   21   23                                       
CONECT   21    9    9   20   22                                       
CONECT   22   21   16   16   24                                       
CONECT   23   20   12                                                 
CONECT   24   22   10                                                 
CONECT   25   28   27   37   37                                       
CONECT   26   38   37   19                                            
CONECT   27   29   25   61   62                                       
CONECT   28   36   25   38   38                                       
CONECT   29   31   27   63   64                                       
CONECT   30   32   65   66                                            
CONECT   31   32   29   67   68                                       
CONECT   32   30   31   69   70                                       
CONECT   33   15    1   34   71                                       
CONECT   34   33   35   72   73                                       
CONECT   35   34   39   74   75                                       
CONECT   36   28   76   77   78                                       
CONECT   37   25   25   26   79                                       
CONECT   38   28   28   26                                            
CONECT   39    2   35   80                                            
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
