COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1      -8.412  -1.868  -0.083  1.00  0.00           C  
HETATM    2  C   UNK     1      -9.643  -2.491  -0.218  1.00  0.00           C  
HETATM    3  C   UNK     1     -10.713  -2.003   0.516  1.00  0.00           C  
HETATM    4  C   UNK     1     -10.519  -0.919   1.351  1.00  0.00           C  
HETATM    5  N   UNK     1      -9.333  -0.351   1.454  1.00  0.00           N  
HETATM    6  C   UNK     1      -8.293  -0.788   0.772  1.00  0.00           C  
HETATM    7  C   UNK     1      -6.960  -0.103   0.927  1.00  0.00           C  
HETATM    8  O   UNK     1      -5.994  -0.749   0.095  1.00  0.00           O  
HETATM    9  C   UNK     1      -4.729  -0.250   0.117  1.00  0.00           C  
HETATM   10  C   UNK     1      -3.741  -0.831  -0.669  1.00  0.00           C  
HETATM   11  C   UNK     1      -2.457  -0.328  -0.650  1.00  0.00           C  
HETATM   12 CL   UNK     1      -4.125  -2.193  -1.675  1.00  0.00          Cl  
HETATM   13  C   UNK     1      -4.430   0.842   0.919  1.00  0.00           C  
HETATM   14  C   UNK     1      -3.149   1.353   0.945  1.00  0.00           C  
HETATM   15  C   UNK     1      -2.150   0.768   0.161  1.00  0.00           C  
HETATM   16  N   UNK     1      -0.879   1.269   0.184  1.00  0.00           N  
HETATM   17  C   UNK     1      -0.649   2.503  -0.228  1.00  0.00           C  
HETATM   18  C   UNK     1       0.673   3.141  -0.060  1.00  0.00           C  
HETATM   19  C   UNK     1       1.795   2.397   0.299  1.00  0.00           C  
HETATM   20  C   UNK     1      -1.699   3.310  -0.885  1.00  0.00           C  
HETATM   21  C   UNK     1      -2.913   2.700  -1.339  1.00  0.00           C  
HETATM   22  N   UNK     1      -3.876   2.217  -1.700  1.00  0.00           N  
HETATM   23  C   UNK     1      -1.486   4.660  -1.050  1.00  0.00           C  
HETATM   24  N   UNK     1      -0.350   5.256  -0.619  1.00  0.00           N  
HETATM   25  C   UNK     1       0.776   4.527  -0.271  1.00  0.00           C  
HETATM   26  C   UNK     1       2.009   5.150  -0.126  1.00  0.00           C  
HETATM   27  C   UNK     1       3.121   4.407   0.228  1.00  0.00           C  
HETATM   28  O   UNK     1       4.324   5.022   0.370  1.00  0.00           O  
HETATM   29  C   UNK     1       4.365   6.431   0.137  1.00  0.00           C  
HETATM   30  C   UNK     1       5.793   6.941   0.342  1.00  0.00           C  
HETATM   31  C   UNK     1       3.016   3.030   0.443  1.00  0.00           C  
HETATM   32  N   UNK     1       4.150   2.290   0.804  1.00  0.00           N  
HETATM   33  C   UNK     1       4.294   1.022   0.370  1.00  0.00           C  
HETATM   34  O   UNK     1       3.407   0.496  -0.269  1.00  0.00           O  
HETATM   35  C   UNK     1       5.556   0.258   0.678  1.00  0.00           C  
HETATM   36  C   UNK     1       5.462  -1.145   0.075  1.00  0.00           C  
HETATM   37  C   UNK     1       6.790  -1.878   0.280  1.00  0.00           C  
HETATM   38  N   UNK     1       6.700  -3.225  -0.298  1.00  0.00           N  
HETATM   39  C   UNK     1       6.557  -3.162  -1.759  1.00  0.00           C  
HETATM   40  C   UNK     1       7.862  -4.040   0.082  1.00  0.00           C  
HETATM   41  S   UNK     1       4.131  -2.067   0.893  1.00  0.00           S  
HETATM   42  C   UNK     1       4.074  -3.619  -0.044  1.00  0.00           C  
HETATM   43  C   UNK     1       2.982  -4.523   0.531  1.00  0.00           C  
HETATM   44  C   UNK     1       2.935  -5.813  -0.247  1.00  0.00           C  
HETATM   45  O   UNK     1       3.466  -6.804   0.194  1.00  0.00           O  
HETATM   46  N   UNK     1       3.279  -4.813   1.941  1.00  0.00           N  
HETATM   47  O   UNK     1       2.303  -5.859  -1.430  1.00  0.00           O  
HETATM   48  H   UNK     1      -7.555  -2.224  -0.636  1.00  0.00           H  
HETATM   49  H   UNK     1      -9.765  -3.336  -0.879  1.00  0.00           H  
HETATM   50  H   UNK     1     -11.687  -2.463   0.435  1.00  0.00           H  
HETATM   51  H   UNK     1     -11.348  -0.533   1.926  1.00  0.00           H  
HETATM   52  H   UNK     1      -7.052   0.942   0.632  1.00  0.00           H  
HETATM   53  H   UNK     1      -6.640  -0.161   1.967  1.00  0.00           H  
HETATM   54  H   UNK     1      -5.201   1.294   1.525  1.00  0.00           H  
HETATM   55  H   UNK     1      -1.689  -0.781  -1.260  1.00  0.00           H  
HETATM   56  H   UNK     1      -2.918   2.203   1.569  1.00  0.00           H  
HETATM   57  H   UNK     1       1.712   1.333   0.464  1.00  0.00           H  
HETATM   58  H   UNK     1      -2.243   5.258  -1.535  1.00  0.00           H  
HETATM   59  H   UNK     1      -0.322   6.224  -0.556  1.00  0.00           H  
HETATM   60  H   UNK     1       2.099   6.214  -0.289  1.00  0.00           H  
HETATM   61  H   UNK     1       4.047   6.640  -0.885  1.00  0.00           H  
HETATM   62  H   UNK     1       3.696   6.934   0.836  1.00  0.00           H  
HETATM   63  H   UNK     1       6.110   6.732   1.363  1.00  0.00           H  
HETATM   64  H   UNK     1       6.462   6.438  -0.357  1.00  0.00           H  
HETATM   65  H   UNK     1       5.823   8.016   0.165  1.00  0.00           H  
HETATM   66  H   UNK     1       4.832   2.690   1.366  1.00  0.00           H  
HETATM   67  H   UNK     1       6.411   0.781   0.250  1.00  0.00           H  
HETATM   68  H   UNK     1       5.679   0.182   1.758  1.00  0.00           H  
HETATM   69  H   UNK     1       5.250  -1.070  -0.991  1.00  0.00           H  
HETATM   70  H   UNK     1       7.590  -1.324  -0.211  1.00  0.00           H  
HETATM   71  H   UNK     1       7.002  -1.954   1.347  1.00  0.00           H  
HETATM   72  H   UNK     1       7.422  -2.655  -2.187  1.00  0.00           H  
HETATM   73  H   UNK     1       6.493  -4.173  -2.162  1.00  0.00           H  
HETATM   74  H   UNK     1       5.651  -2.612  -2.012  1.00  0.00           H  
HETATM   75  H   UNK     1       7.904  -4.128   1.168  1.00  0.00           H  
HETATM   76  H   UNK     1       7.770  -5.032  -0.359  1.00  0.00           H  
HETATM   77  H   UNK     1       8.773  -3.564  -0.279  1.00  0.00           H  
HETATM   78  H   UNK     1       3.854  -3.405  -1.090  1.00  0.00           H  
HETATM   79  H   UNK     1       5.038  -4.123   0.028  1.00  0.00           H  
HETATM   80  H   UNK     1       2.018  -4.020   0.459  1.00  0.00           H  
HETATM   81  H   UNK     1       2.539  -5.355   2.362  1.00  0.00           H  
HETATM   82  H   UNK     1       4.168  -5.280   2.035  1.00  0.00           H  
HETATM   83  H   UNK     1       2.299  -6.709  -1.893  1.00  0.00           H  
CONECT    1    2    6    6   48                                       
CONECT    2    1    3    3   49                                       
CONECT    3    2    2    4   50                                       
CONECT    4    3    5    5   51                                       
CONECT    5    4    4    6                                            
CONECT    6    1    1    5    7                                       
CONECT    7    6    8   52   53                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   13   13                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10   15   55                                       
CONECT   12   10                                                      
CONECT   13    9    9   14   54                                       
CONECT   14   13   15   15   56                                       
CONECT   15   11   14   14   16                                       
CONECT   16   15   17   17                                            
CONECT   17   16   16   18   20                                       
CONECT   18   17   19   25   25                                       
CONECT   19   18   31   31   57                                       
CONECT   20   17   21   23   23                                       
CONECT   21   20   22   22   22                                       
CONECT   22   21   21   21                                            
CONECT   23   20   20   24   58                                       
CONECT   24   23   25   59                                            
CONECT   25   18   18   24   26                                       
CONECT   26   25   27   27   60                                       
CONECT   27   26   26   28   31                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   61   62                                       
CONECT   30   29   63   64   65                                       
CONECT   31   19   19   27   32                                       
CONECT   32   31   33   66                                            
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   67   68                                       
CONECT   36   35   37   41   69                                       
CONECT   37   36   38   70   71                                       
CONECT   38   37   39   40                                            
CONECT   39   38   72   73   74                                       
CONECT   40   38   75   76   77                                       
CONECT   41   36   42                                                 
CONECT   42   41   43   78   79                                       
CONECT   43   42   44   46   80                                       
CONECT   44   43   45   45   47                                       
CONECT   45   44   44                                                 
CONECT   46   43   81   82                                            
CONECT   47   44   83                                                 
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54   13                                                      
CONECT   55   11                                                      
CONECT   56   14                                                      
CONECT   57   19                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   26                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   46                                                      
CONECT   82   46                                                      
CONECT   83   47                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
