COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.106  -4.296   0.355  1.00  0.00           C  
HETATM    2  C   UNL     1       3.480  -5.257   1.369  1.00  0.00           C  
HETATM    3  N   UNL     1       2.023  -5.282   1.187  1.00  0.00           N  
HETATM    4  C   UNL     1       1.436  -3.957   1.425  1.00  0.00           C  
HETATM    5  C   UNL     1       2.001  -2.958   0.413  1.00  0.00           C  
HETATM    6  C   UNL     1       3.523  -2.895   0.560  1.00  0.00           C  
HETATM    7  C   UNL     1       4.100  -1.944  -0.490  1.00  0.00           C  
HETATM    8  N   UNL     1       3.677  -0.573  -0.192  1.00  0.00           N  
HETATM    9  C   UNL     1       4.109   0.073   1.049  1.00  0.00           C  
HETATM   10  C   UNL     1       5.469   0.691   0.847  1.00  0.00           C  
HETATM   11  C   UNL     1       5.570   1.994   0.403  1.00  0.00           C  
HETATM   12  C   UNL     1       6.821   2.569   0.213  1.00  0.00           C  
HETATM   13  N   UNL     1       6.926   3.879  -0.233  1.00  0.00           N  
HETATM   14  C   UNL     1       7.978   1.818   0.477  1.00  0.00           C  
HETATM   15  C   UNL     1       9.310   2.416   0.281  1.00  0.00           C  
HETATM   16  O   UNL     1       9.412   3.595   0.007  1.00  0.00           O  
HETATM   17  O   UNL     1      10.415   1.655   0.406  1.00  0.00           O  
HETATM   18  C   UNL     1       7.857   0.500   0.927  1.00  0.00           C  
HETATM   19  C   UNL     1       6.609  -0.051   1.113  1.00  0.00           C  
HETATM   20  S   UNL     1       2.710   0.245  -1.258  1.00  0.00           S  
HETATM   21  O   UNL     1       2.948   1.628  -1.037  1.00  0.00           O  
HETATM   22  O   UNL     1       2.885  -0.381  -2.522  1.00  0.00           O  
HETATM   23  C   UNL     1       1.039  -0.054  -0.783  1.00  0.00           C  
HETATM   24  C   UNL     1       0.328  -1.084  -1.370  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.982  -1.319  -0.997  1.00  0.00           C  
HETATM   26  C   UNL     1       0.442   0.738   0.180  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.868   0.503   0.553  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.581  -0.524  -0.037  1.00  0.00           C  
HETATM   29  S   UNL     1      -3.251  -0.823   0.438  1.00  0.00           S  
HETATM   30  O   UNL     1      -3.483  -2.211   0.239  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.434  -0.176   1.689  1.00  0.00           O  
HETATM   32  N   UNL     1      -4.219  -0.028  -0.646  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.718  -0.727  -1.833  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.322   0.047  -3.107  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.543  -0.118  -4.046  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.740  -0.030  -3.068  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.255  -0.775  -1.808  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.576   1.375  -0.418  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.907   1.446   0.284  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.060   1.674  -0.444  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.282   1.740   0.198  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.351   1.578   1.571  1.00  0.00           C  
HETATM   43 CL   UNL     1      -9.886   1.660   2.379  1.00  0.00          Cl  
HETATM   44  C   UNL     1      -7.197   1.350   2.299  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.977   1.279   1.654  1.00  0.00           C  
HETATM   46  H   UNL     1       5.186  -4.266   0.501  1.00  0.00           H  
HETATM   47  H   UNL     1       3.884  -4.639  -0.655  1.00  0.00           H  
HETATM   48  H   UNL     1       3.883  -6.258   1.217  1.00  0.00           H  
HETATM   49  H   UNL     1       3.714  -4.921   2.380  1.00  0.00           H  
HETATM   50  H   UNL     1       1.779  -5.626   0.271  1.00  0.00           H  
HETATM   51  H   UNL     1       0.353  -4.015   1.313  1.00  0.00           H  
HETATM   52  H   UNL     1       1.680  -3.628   2.435  1.00  0.00           H  
HETATM   53  H   UNL     1       1.746  -3.279  -0.597  1.00  0.00           H  
HETATM   54  H   UNL     1       1.576  -1.972   0.599  1.00  0.00           H  
HETATM   55  H   UNL     1       3.779  -2.536   1.557  1.00  0.00           H  
HETATM   56  H   UNL     1       5.188  -2.000  -0.473  1.00  0.00           H  
HETATM   57  H   UNL     1       3.737  -2.229  -1.478  1.00  0.00           H  
HETATM   58  H   UNL     1       3.395   0.850   1.323  1.00  0.00           H  
HETATM   59  H   UNL     1       4.162  -0.669   1.846  1.00  0.00           H  
HETATM   60  H   UNL     1       4.677   2.566   0.201  1.00  0.00           H  
HETATM   61  H   UNL     1       6.133   4.359  -0.519  1.00  0.00           H  
HETATM   62  H   UNL     1       7.792   4.315  -0.260  1.00  0.00           H  
HETATM   63  H   UNL     1      11.267   2.091   0.269  1.00  0.00           H  
HETATM   64  H   UNL     1       8.742  -0.084   1.132  1.00  0.00           H  
HETATM   65  H   UNL     1       6.517  -1.069   1.461  1.00  0.00           H  
HETATM   66  H   UNL     1       0.795  -1.705  -2.119  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.538  -2.123  -1.455  1.00  0.00           H  
HETATM   68  H   UNL     1       1.000   1.539   0.642  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.334   1.121   1.306  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.313  -1.738  -1.868  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.156   1.100  -2.878  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.430  -0.390  -3.557  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.580   0.690  -4.777  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.520  -1.088  -4.543  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.965   1.011  -2.833  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.615  -0.524  -3.491  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.597  -1.811  -1.832  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.630  -0.279  -0.913  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.813   1.848   0.201  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.640   1.893  -1.374  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.006   1.800  -1.516  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.183   1.918  -0.370  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.250   1.225   3.370  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.076   1.097   2.222  1.00  0.00           H  
CONECT    1    2    6   46   47                                       
CONECT    2    1    3   48   49                                       
CONECT    3    2    4   50                                            
CONECT    4    3    5   51   52                                       
CONECT    5    6    4   53   54                                       
CONECT    6    1    7    5   55                                       
CONECT    7    8    6   56   57                                       
CONECT    8   20    9    7                                            
CONECT    9   10    8   58   59                                       
CONECT   10   19   19   11    9                                       
CONECT   11   12   12   10   60                                       
CONECT   12   14   13   11   11                                       
CONECT   13   12   61   62                                            
CONECT   14   15   18   18   12                                       
CONECT   15   16   16   17   14                                       
CONECT   16   15   15                                                 
CONECT   17   15   63                                                 
CONECT   18   14   14   19   64                                       
CONECT   19   18   10   10   65                                       
CONECT   20   21   21   22   22                                       
CONECT   20    8   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24   24   26                                       
CONECT   24   23   23   25   66                                       
CONECT   25   24   28   28   67                                       
CONECT   26   23   27   27   68                                       
CONECT   27   26   26   28   69                                       
CONECT   28   25   25   27   29                                       
CONECT   29   32   28   31   31                                       
CONECT   29   30   30                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   33   38   29                                            
CONECT   33   34   37   32   70                                       
CONECT   34   35   33   71   72                                       
CONECT   35   36   34   73   74                                       
CONECT   36   35   37   75   76                                       
CONECT   37   36   33   77   78                                       
CONECT   38   32   39   79   80                                       
CONECT   39   38   40   40   45                                       
CONECT   40   39   39   41   81                                       
CONECT   41   40   42   42   82                                       
CONECT   42   41   41   44   43                                       
CONECT   43   42                                                      
CONECT   44   45   45   42   83                                       
CONECT   45   39   44   44   84                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
