COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.624   4.705  -0.055  1.00  0.00           C  
HETATM    2  C   UNL     1       4.112   3.298   0.298  1.00  0.00           C  
HETATM    3  C   UNL     1       4.737   3.310   1.694  1.00  0.00           C  
HETATM    4  O   UNL     1       3.007   2.392   0.278  1.00  0.00           O  
HETATM    5  C   UNL     1       3.282   1.089   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1       4.595   0.670  -0.131  1.00  0.00           C  
HETATM    7  C   UNL     1       4.873  -0.656  -0.412  1.00  0.00           C  
HETATM    8  C   UNL     1       6.303  -1.110  -0.555  1.00  0.00           C  
HETATM    9  C   UNL     1       6.997  -0.280  -1.639  1.00  0.00           C  
HETATM   10  C   UNL     1       8.464  -0.704  -1.738  1.00  0.00           C  
HETATM   11  N   UNL     1       9.123  -0.497  -0.442  1.00  0.00           N  
HETATM   12  C   UNL     1       8.503  -1.320   0.605  1.00  0.00           C  
HETATM   13  C   UNL     1       7.037  -0.915   0.774  1.00  0.00           C  
HETATM   14  C   UNL     1       3.843  -1.565  -0.562  1.00  0.00           C  
HETATM   15  C   UNL     1       4.153  -3.008  -0.869  1.00  0.00           C  
HETATM   16  C   UNL     1       2.529  -1.155  -0.431  1.00  0.00           C  
HETATM   17  C   UNL     1       2.243   0.172  -0.144  1.00  0.00           C  
HETATM   18  N   UNL     1       0.913   0.589  -0.007  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.054  -0.308   0.416  1.00  0.00           C  
HETATM   20  N   UNL     1       0.313  -1.524   0.792  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.583  -2.410   1.202  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.918  -2.055   1.238  1.00  0.00           C  
HETATM   23 CL   UNL     1      -3.123  -3.184   1.770  1.00  0.00          Cl  
HETATM   24  C   UNL     1      -2.274  -0.764   0.836  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.602  -0.363   0.854  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.935   0.965   0.576  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.050   1.986   0.898  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.382   3.299   0.623  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.594   3.596   0.027  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.477   2.582  -0.295  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.149   1.268  -0.027  1.00  0.00           C  
HETATM   32  S   UNL     1      -6.272  -0.024  -0.445  1.00  0.00           S  
HETATM   33  O   UNL     1      -6.399  -0.779   0.753  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.389   0.650  -1.007  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.404  -0.987  -1.714  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.333  -2.076  -2.253  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.986  -0.061  -2.859  1.00  0.00           C  
HETATM   38  N   UNL     1      -1.322   0.074   0.440  1.00  0.00           N  
HETATM   39  H   UNL     1       4.467   5.396  -0.041  1.00  0.00           H  
HETATM   40  H   UNL     1       3.179   4.696  -1.050  1.00  0.00           H  
HETATM   41  H   UNL     1       2.879   5.024   0.673  1.00  0.00           H  
HETATM   42  H   UNL     1       4.857   2.978  -0.431  1.00  0.00           H  
HETATM   43  H   UNL     1       3.992   3.630   2.423  1.00  0.00           H  
HETATM   44  H   UNL     1       5.084   2.308   1.945  1.00  0.00           H  
HETATM   45  H   UNL     1       5.580   4.002   1.709  1.00  0.00           H  
HETATM   46  H   UNL     1       5.402   1.378  -0.014  1.00  0.00           H  
HETATM   47  H   UNL     1       6.325  -2.163  -0.834  1.00  0.00           H  
HETATM   48  H   UNL     1       6.505  -0.448  -2.597  1.00  0.00           H  
HETATM   49  H   UNL     1       6.940   0.777  -1.381  1.00  0.00           H  
HETATM   50  H   UNL     1       8.521  -1.758  -2.010  1.00  0.00           H  
HETATM   51  H   UNL     1       8.965  -0.105  -2.499  1.00  0.00           H  
HETATM   52  H   UNL     1      10.113  -0.679  -0.506  1.00  0.00           H  
HETATM   53  H   UNL     1       8.559  -2.371   0.322  1.00  0.00           H  
HETATM   54  H   UNL     1       9.032  -1.169   1.546  1.00  0.00           H  
HETATM   55  H   UNL     1       6.981   0.133   1.071  1.00  0.00           H  
HETATM   56  H   UNL     1       6.574  -1.536   1.540  1.00  0.00           H  
HETATM   57  H   UNL     1       4.391  -3.533   0.056  1.00  0.00           H  
HETATM   58  H   UNL     1       3.286  -3.474  -1.338  1.00  0.00           H  
HETATM   59  H   UNL     1       5.005  -3.060  -1.546  1.00  0.00           H  
HETATM   60  H   UNL     1       1.727  -1.867  -0.548  1.00  0.00           H  
HETATM   61  H   UNL     1       0.670   1.507  -0.207  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.273  -3.399   1.506  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.300  -1.005   1.060  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.103   1.755   1.364  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.694   4.093   0.873  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.851   4.623  -0.187  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.423   2.818  -0.760  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.518  -1.448  -1.278  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.219  -1.615  -2.689  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.812  -2.654  -3.015  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.631  -2.735  -1.437  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.872   0.400  -3.295  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.324   0.715  -2.475  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.464  -0.639  -3.621  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3    4   42                                       
CONECT    3    2   43   44   45                                       
CONECT    4    2    5                                                 
CONECT    5    4    6    6   17                                       
CONECT    6    5    5    7   46                                       
CONECT    7    6    8   14   14                                       
CONECT    8    7    9   13   47                                       
CONECT    9    8   10   48   49                                       
CONECT   10    9   11   50   51                                       
CONECT   11   10   12   52                                            
CONECT   12   11   13   53   54                                       
CONECT   13    8   12   55   56                                       
CONECT   14    7    7   15   16                                       
CONECT   15   14   57   58   59                                       
CONECT   16   14   17   17   60                                       
CONECT   17    5   16   16   18                                       
CONECT   18   17   19   61                                            
CONECT   19   18   20   20   38                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   22   62                                       
CONECT   22   21   21   23   24                                       
CONECT   23   22                                                      
CONECT   24   22   25   38   38                                       
CONECT   25   24   26   63                                            
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   64                                       
CONECT   28   27   29   29   65                                       
CONECT   29   28   28   30   66                                       
CONECT   30   29   31   31   67                                       
CONECT   31   26   30   30   32                                       
CONECT   32   31   33   33   34                                       
CONECT   32   34   35                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35   32   36   37   68                                       
CONECT   36   35   69   70   71                                       
CONECT   37   35   72   73   74                                       
CONECT   38   19   24   24                                            
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   21                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   37                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
