COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.351  -0.806  -0.393  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.862  -0.834  -0.153  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.437   0.475  -0.490  1.00  0.00           N  
HETATM    4  C   UNL     1     -10.903   0.444  -0.404  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.882   1.534   0.363  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.371   1.632   0.139  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.721   0.287   0.475  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.219   0.362   0.194  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.550  -0.938   0.646  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.048  -0.864   0.366  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.380  -2.164   0.817  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.900  -2.090   0.541  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.402  -2.521  -0.674  1.00  0.00           C  
HETATM   14  C   UNL     1       0.956  -2.454  -0.928  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.042  -1.587   1.501  1.00  0.00           C  
HETATM   16  C   UNL     1       1.315  -1.519   1.247  1.00  0.00           C  
HETATM   17  C   UNL     1       1.814  -1.955   0.034  1.00  0.00           C  
HETATM   18  S   UNL     1       3.544  -1.870  -0.289  1.00  0.00           S  
HETATM   19  O   UNL     1       4.187  -1.825   0.978  1.00  0.00           O  
HETATM   20  O   UNL     1       3.820  -2.865  -1.265  1.00  0.00           O  
HETATM   21  N   UNL     1       3.836  -0.410  -1.014  1.00  0.00           N  
HETATM   22  C   UNL     1       3.702   0.768  -0.285  1.00  0.00           C  
HETATM   23  C   UNL     1       2.596   1.617  -0.500  1.00  0.00           C  
HETATM   24  C   UNL     1       1.606   1.302  -1.446  1.00  0.00           C  
HETATM   25  C   UNL     1       0.562   2.171  -1.601  1.00  0.00           C  
HETATM   26  C   UNL     1       0.502   3.329  -0.831  1.00  0.00           C  
HETATM   27  N   UNL     1       1.428   3.620   0.051  1.00  0.00           N  
HETATM   28  C   UNL     1       2.475   2.812   0.252  1.00  0.00           C  
HETATM   29  C   UNL     1       3.463   3.129   1.199  1.00  0.00           C  
HETATM   30  C   UNL     1       4.522   2.294   1.387  1.00  0.00           C  
HETATM   31  C   UNL     1       4.647   1.115   0.659  1.00  0.00           C  
HETATM   32  C   UNL     1       5.828   0.211   0.900  1.00  0.00           C  
HETATM   33  C   UNL     1       7.043   0.746   0.138  1.00  0.00           C  
HETATM   34  C   UNL     1       8.262  -0.126   0.444  1.00  0.00           C  
HETATM   35  C   UNL     1       6.757   0.712  -1.365  1.00  0.00           C  
HETATM   36  H   UNL     1      -6.923  -1.773  -0.128  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.153  -0.596  -1.444  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.315  -1.602  -0.780  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.059  -1.058   0.895  1.00  0.00           H  
HETATM   40  H   UNL     1     -11.202   0.182   0.611  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.302   1.426  -0.658  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.292  -0.298  -1.101  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.349   2.485   0.111  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.079   1.298   1.409  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.174   1.881  -0.904  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.958   2.408   0.783  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.885   0.056   1.527  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.055   0.502  -0.874  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.788   1.201   0.741  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.714  -1.079   1.714  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.981  -1.777   0.099  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.885  -0.723  -0.703  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.618  -0.025   0.912  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.543  -2.304   1.886  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.810  -3.003   0.271  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.073  -2.911  -1.425  1.00  0.00           H  
HETATM   57  H   UNL     1       1.345  -2.791  -1.877  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.432  -1.246   2.448  1.00  0.00           H  
HETATM   59  H   UNL     1       1.986  -1.126   1.997  1.00  0.00           H  
HETATM   60  H   UNL     1       4.101  -0.376  -1.946  1.00  0.00           H  
HETATM   61  H   UNL     1       1.668   0.399  -2.035  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.216   1.959  -2.320  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.329   4.006  -0.963  1.00  0.00           H  
HETATM   64  H   UNL     1       3.383   4.037   1.778  1.00  0.00           H  
HETATM   65  H   UNL     1       5.275   2.549   2.117  1.00  0.00           H  
HETATM   66  H   UNL     1       6.053   0.182   1.966  1.00  0.00           H  
HETATM   67  H   UNL     1       5.594  -0.794   0.550  1.00  0.00           H  
HETATM   68  H   UNL     1       7.243   1.772   0.447  1.00  0.00           H  
HETATM   69  H   UNL     1       8.062  -1.152   0.135  1.00  0.00           H  
HETATM   70  H   UNL     1       9.127   0.255  -0.099  1.00  0.00           H  
HETATM   71  H   UNL     1       8.465  -0.102   1.515  1.00  0.00           H  
HETATM   72  H   UNL     1       5.946   1.404  -1.596  1.00  0.00           H  
HETATM   73  H   UNL     1       7.653   1.007  -1.912  1.00  0.00           H  
HETATM   74  H   UNL     1       6.468  -0.297  -1.658  1.00  0.00           H  
CONECT    1    2    7   36   37                                       
CONECT    2    3    1   38   39                                       
CONECT    3    4    5    2                                            
CONECT    4    3   40   41   42                                       
CONECT    5    3    6   43   44                                       
CONECT    6    5    7   45   46                                       
CONECT    7    6    1    8   47                                       
CONECT    8    7    9   48   49                                       
CONECT    9   10    8   50   51                                       
CONECT   10    9   11   52   53                                       
CONECT   11   10   12   54   55                                       
CONECT   12   11   15   15   13                                       
CONECT   13   12   14   14   56                                       
CONECT   14   13   13   17   57                                       
CONECT   15   12   12   16   58                                       
CONECT   16   15   17   17   59                                       
CONECT   17   16   16   14   18                                       
CONECT   18   17   19   19   20                                       
CONECT   18   20   21                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21   18   22   60                                            
CONECT   22   21   23   23   31                                       
CONECT   23   24   22   22   28                                       
CONECT   24   25   25   23   61                                       
CONECT   25   24   24   26   62                                       
CONECT   26   25   27   27   63                                       
CONECT   27   26   26   28                                            
CONECT   28   23   27   29   29                                       
CONECT   29   28   28   30   64                                       
CONECT   30   31   31   29   65                                       
CONECT   31   22   32   30   30                                       
CONECT   32   31   33   66   67                                       
CONECT   33   32   35   34   68                                       
CONECT   34   33   69   70   71                                       
CONECT   35   33   72   73   74                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   21                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
