COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.838   3.145  -0.170  1.00  0.00           C  
HETATM    2  C   UNL     1       2.645   3.861   0.025  1.00  0.00           C  
HETATM    3  C   UNL     1       2.606   5.207  -0.376  1.00  0.00           C  
HETATM    4  C   UNL     1       2.314   1.846   0.754  1.00  0.00           C  
HETATM    5  N   UNL     1       3.697   5.737  -0.921  1.00  0.00           N  
HETATM    6  N   UNL     1       4.878   3.760  -0.724  1.00  0.00           N  
HETATM    7  C   UNL     1      -6.003   1.418   0.726  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.799   1.579  -0.722  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.988   1.528  -1.339  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.115   1.634  -2.543  1.00  0.00           O  
HETATM   11  N   UNL     1      -8.024   1.350  -0.507  1.00  0.00           N  
HETATM   12  C   UNL     1      -7.521   1.262   0.873  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.916  -0.103   1.470  1.00  0.00           C  
HETATM   14  S   UNL     1      -6.481  -1.167   1.031  1.00  0.00           S  
HETATM   15  C   UNL     1      -5.235   0.173   1.211  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.018  -0.095   0.322  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.210  -1.258   0.901  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.994  -1.525   0.012  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.185  -2.688   0.590  1.00  0.00           C  
HETATM   20  C   UNL     1       0.013  -2.952  -0.285  1.00  0.00           C  
HETATM   21  O   UNL     1       0.201  -2.276  -1.275  1.00  0.00           O  
HETATM   22  N   UNL     1       0.875  -3.938   0.031  1.00  0.00           N  
HETATM   23  S   UNL     1       2.191  -4.228  -0.931  1.00  0.00           S  
HETATM   24  O   UNL     1       2.910  -5.290  -0.319  1.00  0.00           O  
HETATM   25  O   UNL     1       1.708  -4.285  -2.266  1.00  0.00           O  
HETATM   26  O   UNL     1       3.087  -3.000  -0.850  1.00  0.00           O  
HETATM   27  C   UNL     1       3.816  -2.892   0.374  1.00  0.00           C  
HETATM   28  C   UNL     1       4.678  -1.629   0.345  1.00  0.00           C  
HETATM   29  O   UNL     1       3.833  -0.475   0.305  1.00  0.00           O  
HETATM   30  C   UNL     1       5.548  -1.574   1.603  1.00  0.00           C  
HETATM   31  N   UNL     1       6.317  -0.321   1.607  1.00  0.00           N  
HETATM   32  C   UNL     1       5.418   0.841   1.565  1.00  0.00           C  
HETATM   33  C   UNL     1       4.549   0.763   0.307  1.00  0.00           C  
HETATM   34  N   UNL     1       3.599   1.877   0.298  1.00  0.00           N  
HETATM   35  N   UNL     1       1.758   3.012   0.598  1.00  0.00           N  
HETATM   36  C   UNL     1       4.795   5.023  -1.085  1.00  0.00           C  
HETATM   37  N   UNL     1       1.459   5.963  -0.209  1.00  0.00           N  
HETATM   38  H   UNL     1       1.832   0.982   1.187  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.661   2.304   1.261  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.943   1.701  -1.160  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.955   1.289  -0.772  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.928   2.074   1.475  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.028  -0.034   2.552  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.832  -0.476   1.011  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.936   0.285   2.253  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.353  -0.350  -0.684  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.394   0.798   0.283  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.876  -1.003   1.907  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.834  -2.150   0.940  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.328  -1.780  -0.994  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.369  -0.633  -0.028  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.851  -2.434   1.596  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.810  -3.581   0.630  1.00  0.00           H  
HETATM   54  H   UNL     1       0.724  -4.479   0.822  1.00  0.00           H  
HETATM   55  H   UNL     1       3.118  -2.837   1.209  1.00  0.00           H  
HETATM   56  H   UNL     1       4.456  -3.766   0.494  1.00  0.00           H  
HETATM   57  H   UNL     1       5.316  -1.644  -0.539  1.00  0.00           H  
HETATM   58  H   UNL     1       4.912  -1.614   2.487  1.00  0.00           H  
HETATM   59  H   UNL     1       6.234  -2.422   1.609  1.00  0.00           H  
HETATM   60  H   UNL     1       6.930  -0.275   2.407  1.00  0.00           H  
HETATM   61  H   UNL     1       4.780   0.840   2.449  1.00  0.00           H  
HETATM   62  H   UNL     1       6.009   1.758   1.543  1.00  0.00           H  
HETATM   63  H   UNL     1       5.184   0.818  -0.578  1.00  0.00           H  
HETATM   64  H   UNL     1       5.659   5.493  -1.532  1.00  0.00           H  
HETATM   65  H   UNL     1       0.670   5.565   0.189  1.00  0.00           H  
HETATM   66  H   UNL     1       1.445   6.891  -0.491  1.00  0.00           H  
CONECT    1   34    6    6    2                                       
CONECT    2    1   35    3    3                                       
CONECT    3    2    2    5   37                                       
CONECT    4   34   35   35   38                                       
CONECT    5   36   36    3                                            
CONECT    6    1    1   36                                            
CONECT    7    8   15   12   39                                       
CONECT    8    7    9   40                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   41                                            
CONECT   12    7   11   13   42                                       
CONECT   13   12   14   43   44                                       
CONECT   14   15   13                                                 
CONECT   15   16    7   14   45                                       
CONECT   16   17   15   46   47                                       
CONECT   17   18   16   48   49                                       
CONECT   18   19   17   50   51                                       
CONECT   19   20   18   52   53                                       
CONECT   20   22   21   21   19                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   54                                            
CONECT   23   25   25   24   24                                       
CONECT   23   26   22                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   55   56                                       
CONECT   28   30   27   29   57                                       
CONECT   29   28   33                                                 
CONECT   30   28   31   58   59                                       
CONECT   31   30   32   60                                            
CONECT   32   31   33   61   62                                       
CONECT   33   29   32   34   63                                       
CONECT   34   33    1    4                                            
CONECT   35    4    4    2                                            
CONECT   36    6    5    5   64                                       
CONECT   37    3   65   66                                            
CONECT   38    4                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   22                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
