COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.194   3.123   0.334  1.00  0.00           C  
HETATM    2  C   UNL     1       4.203   5.100   0.447  1.00  0.00           C  
HETATM    3  C   UNL     1       4.990   4.375  -0.623  1.00  0.00           C  
HETATM    4  C   UNL     1       5.639  -0.592  -0.460  1.00  0.00           C  
HETATM    5  C   UNL     1       4.289   3.001  -0.706  1.00  0.00           C  
HETATM    6  C   UNL     1       5.259   1.875  -0.343  1.00  0.00           C  
HETATM    7  C   UNL     1       4.611   0.524  -0.655  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.268  -0.354   0.455  1.00  0.00           C  
HETATM    9  C   UNL     1       1.156  -0.424   0.692  1.00  0.00           C  
HETATM   10  C   UNL     1       1.465  -1.678   1.513  1.00  0.00           C  
HETATM   11  C   UNL     1       2.680  -1.417   2.405  1.00  0.00           C  
HETATM   12  C   UNL     1       2.327  -0.358   3.451  1.00  0.00           C  
HETATM   13  C   UNL     1       3.083  -2.714   3.109  1.00  0.00           C  
HETATM   14  C   UNL     1       2.303  -0.141  -0.243  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.654  -0.311   0.424  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.815  -0.713  -0.488  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.229  -0.336  -0.039  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.237   0.045  -1.125  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.541   0.505  -0.471  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.505   1.003  -1.551  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.809   1.463  -0.897  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.445   0.291  -0.147  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.482  -0.207   0.932  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.177  -0.667   0.279  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.771  -1.795   0.020  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.067  -0.638  -0.086  1.00  0.00           N  
HETATM   27  N   UNL     1       3.477   0.307   0.247  1.00  0.00           N  
HETATM   28  N   UNL     1       3.264   4.340   0.891  1.00  0.00           N  
HETATM   29  O   UNL     1      -1.333   0.164   1.552  1.00  0.00           O  
HETATM   30  O   UNL     1       2.384   2.264   0.612  1.00  0.00           O  
HETATM   31  O   UNL     1       6.828  -0.277  -1.187  1.00  0.00           O  
HETATM   32  O   UNL     1       2.171  -0.315  -1.436  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.396  -0.645  -0.220  1.00  0.00           O  
HETATM   34  H   UNL     1       4.399   6.107   0.786  1.00  0.00           H  
HETATM   35  H   UNL     1       4.920   4.900  -1.575  1.00  0.00           H  
HETATM   36  H   UNL     1       6.032   4.261  -0.323  1.00  0.00           H  
HETATM   37  H   UNL     1       5.876  -0.686   0.600  1.00  0.00           H  
HETATM   38  H   UNL     1       3.865   2.843  -1.697  1.00  0.00           H  
HETATM   39  H   UNL     1       6.174   1.982  -0.924  1.00  0.00           H  
HETATM   40  H   UNL     1       5.495   1.927   0.720  1.00  0.00           H  
HETATM   41  H   UNL     1       4.261   0.519  -1.687  1.00  0.00           H  
HETATM   42  H   UNL     1       1.016   0.424   1.363  1.00  0.00           H  
HETATM   43  H   UNL     1       0.604  -1.926   2.135  1.00  0.00           H  
HETATM   44  H   UNL     1       1.679  -2.509   0.841  1.00  0.00           H  
HETATM   45  H   UNL     1       3.510  -1.063   1.794  1.00  0.00           H  
HETATM   46  H   UNL     1       3.212  -0.124   4.043  1.00  0.00           H  
HETATM   47  H   UNL     1       1.977   0.545   2.950  1.00  0.00           H  
HETATM   48  H   UNL     1       1.542  -0.739   4.104  1.00  0.00           H  
HETATM   49  H   UNL     1       3.334  -3.470   2.365  1.00  0.00           H  
HETATM   50  H   UNL     1       3.949  -2.529   3.745  1.00  0.00           H  
HETATM   51  H   UNL     1       2.253  -3.069   3.721  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.693   0.762   0.610  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.732  -0.848   1.369  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.604  -0.690  -1.557  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.331   0.198   0.906  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.830   0.853  -1.732  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.433  -0.821  -1.758  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.331   1.313   0.229  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.052   1.838  -2.085  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.715   0.194  -2.251  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.599   2.271  -0.197  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.496   1.818  -1.666  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.375   0.619   0.319  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.655  -0.518  -0.847  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.272   0.601   1.633  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.935  -1.042   1.467  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.387  -1.476  -0.422  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.491  -1.022   1.048  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.188  -2.483  -0.715  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.572  -2.220   1.004  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.012  -0.984  -0.990  1.00  0.00           H  
HETATM   72  H   UNL     1       3.570   0.485   1.195  1.00  0.00           H  
HETATM   73  H   UNL     1       7.249   0.550  -0.914  1.00  0.00           H  
HETATM   74  S   UNL     1       4.955  -2.158  -1.068  1.00  0.00           S1+
HETATM   75  O   UNL     1       5.863  -3.250  -1.044  1.00  0.00           O  
HETATM   76  O   UNL     1       3.749  -2.518  -0.212  1.00  0.00           O  
HETATM   77  O   UNL     1       4.491  -1.952  -2.503  1.00  0.00           O  
HETATM   78  H   UNL     1       3.318  -3.345  -0.467  1.00  0.00           H  
HETATM   79  H   UNL     1       3.865  -1.223  -2.613  1.00  0.00           H  
CONECT    1    5   30   30   28                                       
CONECT    2    3   28   28   34                                       
CONECT    3    5    2   35   36                                       
CONECT    4   31    7   37   74                                       
CONECT    5    6    3    1   38                                       
CONECT    6    7    5   39   40                                       
CONECT    7   27    4    6   41                                       
CONECT    8   26   33   29   29                                       
CONECT    9   10   26   14   42                                       
CONECT   10   11    9   43   44                                       
CONECT   11   13   12   10   45                                       
CONECT   12   11   46   47   48                                       
CONECT   13   11   49   50   51                                       
CONECT   14    9   32   32   27                                       
CONECT   15   33   16   52   53                                       
CONECT   16   17   25   15   54                                       
CONECT   17   18   16   25   55                                       
CONECT   18   19   17   56   57                                       
CONECT   19   20   24   18   58                                       
CONECT   20   21   19   59   60                                       
CONECT   21   22   20   61   62                                       
CONECT   22   21   23   63   64                                       
CONECT   23   22   24   65   66                                       
CONECT   24   23   19   67   68                                       
CONECT   25   17   16   69   70                                       
CONECT   26    9    8   71                                            
CONECT   27   14    7   72                                            
CONECT   28    1    2    2                                            
CONECT   29    8    8                                                 
CONECT   30    1    1                                                 
CONECT   31    4   73                                                 
CONECT   32   14   14                                                 
CONECT   33    8   15                                                 
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   31                                                      
CONECT   74    4   75   75   76                                       
CONECT   74   77                                                      
CONECT   75   74   74                                                 
CONECT   76   74   78                                                 
CONECT   77   74   79                                                 
CONECT   78   76                                                      
CONECT   79   77                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
