COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.806  -3.365  -0.715  1.00  0.00           N  
HETATM    2  N   UNL     1       3.155  -2.486  -0.772  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.346  -2.231  -0.198  1.00  0.00           C  
HETATM    4  C   UNL     1       0.012  -4.245  -1.265  1.00  0.00           C  
HETATM    5  C   UNL     1       1.870  -2.953  -0.845  1.00  0.00           C  
HETATM    6  C   UNL     1       3.174  -1.256  -0.151  1.00  0.00           C  
HETATM    7  C   UNL     1       4.384  -0.447   0.105  1.00  0.00           C  
HETATM    8  C   UNL     1       6.581   1.020   0.569  1.00  0.00           C  
HETATM    9  C   UNL     1       8.920   1.097   0.303  1.00  0.00           C  
HETATM   10  C   UNL     1       1.908  -0.903   0.190  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.402  -0.285   0.501  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.821   2.105   0.653  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.277   1.077  -0.139  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.572  -0.116  -0.211  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.428   3.792  -0.334  1.00  0.00           C  
HETATM   16  O   UNL     1      -7.517   0.075  -0.741  1.00  0.00           O  
HETATM   17  S   UNL     1      -6.754   1.221  -1.095  1.00  0.00           S  
HETATM   18  O   UNL     1      -6.297   1.416  -2.426  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.534   2.733  -0.454  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.514   3.425   0.822  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.636   1.929   1.366  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.932   0.747   1.291  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.646  -1.587   0.422  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.966  -2.438   1.652  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.667  -1.635   2.920  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.445  -2.828   1.632  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.207  -1.313   0.378  1.00  0.00           N  
HETATM   28  C   UNL     1       1.036  -1.987  -0.249  1.00  0.00           C  
HETATM   29  N   UNL     1       1.313  -4.059  -1.335  1.00  0.00           N  
HETATM   30  C   UNL     1       4.297   0.791   0.750  1.00  0.00           C  
HETATM   31  N   UNL     1       5.402   1.484   0.960  1.00  0.00           N  
HETATM   32  N   UNL     1       6.706  -0.150  -0.040  1.00  0.00           N  
HETATM   33  C   UNL     1       5.648  -0.903  -0.287  1.00  0.00           C  
HETATM   34  N   UNL     1       7.714   1.778   0.808  1.00  0.00           N  
HETATM   35  C   UNL     1       9.407   2.460  -0.209  1.00  0.00           C  
HETATM   36  O   UNL     1      10.035   2.414  -1.492  1.00  0.00           O  
HETATM   37  C   UNL     1       7.908   2.787  -0.250  1.00  0.00           C  
HETATM   38  H   UNL     1       3.936  -2.953  -1.108  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.403  -5.154  -1.674  1.00  0.00           H  
HETATM   40  H   UNL     1       9.547   0.681   1.092  1.00  0.00           H  
HETATM   41  H   UNL     1       8.714   0.382  -0.494  1.00  0.00           H  
HETATM   42  H   UNL     1       1.605   0.005   0.689  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.942  -0.919  -0.830  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.851   3.824  -1.258  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.876   4.768  -0.149  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.972   2.539   0.525  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.304   3.076  -1.146  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.105   3.393   1.737  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.758   4.203   0.928  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.263   2.731   1.985  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.016   0.627   1.850  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.941  -2.124  -0.479  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.352  -3.339   1.640  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.280  -0.734   2.932  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.895  -2.241   3.796  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.613  -1.357   2.934  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.673  -3.434   2.508  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.058  -1.927   1.644  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.658  -3.400   0.729  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.858  -0.489   0.752  1.00  0.00           H  
HETATM   61  H   UNL     1       3.340   1.176   1.071  1.00  0.00           H  
HETATM   62  H   UNL     1       5.758  -1.855  -0.784  1.00  0.00           H  
HETATM   63  H   UNL     1       9.970   3.037   0.525  1.00  0.00           H  
HETATM   64  H   UNL     1      10.340   3.274  -1.811  1.00  0.00           H  
HETATM   65  H   UNL     1       7.431   2.523  -1.194  1.00  0.00           H  
HETATM   66  H   UNL     1       7.676   3.802   0.072  1.00  0.00           H  
CONECT    1    3    3    4                                            
CONECT    2    5    6   38                                            
CONECT    3   27    1    1   28                                       
CONECT    4    1   29   29   39                                       
CONECT    5   29    2   28   28                                       
CONECT    6    2    7   10   10                                       
CONECT    7    6   33   33   30                                       
CONECT    8   32   32   34   31                                       
CONECT    9   35   34   40   41                                       
CONECT   10    6    6   28   42                                       
CONECT   11   23   22   22   14                                       
CONECT   12   21   21   13   20                                       
CONECT   13   12   14   14   17                                       
CONECT   14   13   13   11   43                                       
CONECT   15   19   20   44   45                                       
CONECT   16   17   17                                                 
CONECT   17   13   18   18   16                                       
CONECT   17   16   19                                                 
CONECT   18   17   17                                                 
CONECT   19   17   15   46   47                                       
CONECT   20   15   12   48   49                                       
CONECT   21   22   12   12   50                                       
CONECT   22   11   11   21   51                                       
CONECT   23   24   27   11   52                                       
CONECT   24   26   25   23   53                                       
CONECT   25   24   54   55   56                                       
CONECT   26   24   57   58   59                                       
CONECT   27   23    3   60                                            
CONECT   28   10    3    5    5                                       
CONECT   29    4    4    5                                            
CONECT   30   31   31    7   61                                       
CONECT   31    8   30   30                                            
CONECT   32   33    8    8                                            
CONECT   33    7    7   32   62                                       
CONECT   34    8   37    9                                            
CONECT   35   37   36    9   63                                       
CONECT   36   35   64                                                 
CONECT   37   34   35   65   66                                       
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   30                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
