COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.758   1.162  -0.257  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.529   1.237  -0.155  1.00  0.00           C  
HETATM    3  C   UNL     1       1.844   1.081  -0.384  1.00  0.00           C  
HETATM    4  C   UNL     1       4.044   1.753   0.465  1.00  0.00           C  
HETATM    5  C   UNL     1       7.543   0.899  -0.659  1.00  0.00           C  
HETATM    6  C   UNL     1       9.501  -0.142   0.314  1.00  0.00           C  
HETATM    7  C   UNL     1       7.629  -1.506  -0.384  1.00  0.00           C  
HETATM    8  C   UNL     1       3.905   0.276  -1.442  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.945  -2.293   1.614  1.00  0.00           C  
HETATM   10  S   UNL     1      -5.040  -1.579  -0.051  1.00  0.00           S  
HETATM   11  C   UNL     1      -6.419  -0.408   0.086  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.018   0.928  -0.544  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.848   1.466   0.155  1.00  0.00           N  
HETATM   14  N   UNL     1      -4.858   2.315   1.271  1.00  0.00           N  
HETATM   15  N   UNL     1      -3.648   2.584   1.617  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.776   1.959   0.789  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.380   1.920   0.728  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.526   0.445  -1.187  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.888   0.483  -1.134  1.00  0.00           C  
HETATM   20  C   UNL     1       0.672   1.117  -0.327  1.00  0.00           C  
HETATM   21  C   UNL     1       3.273   1.036  -0.454  1.00  0.00           C  
HETATM   22  C   UNL     1       5.420   1.705   0.392  1.00  0.00           C  
HETATM   23  C   UNL     1       6.038   0.946  -0.585  1.00  0.00           C  
HETATM   24  N   UNL     1       8.040  -0.207   0.169  1.00  0.00           N  
HETATM   25  C   UNL     1       9.969  -1.275   1.232  1.00  0.00           C  
HETATM   26  O   UNL     1       9.534  -2.527   0.694  1.00  0.00           O  
HETATM   27  C   UNL     1       8.116  -2.625   0.540  1.00  0.00           C  
HETATM   28  C   UNL     1       5.282   0.228  -1.496  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.591  -0.948  -0.615  1.00  0.00           N  
HETATM   30  O   UNL     1      -7.258  -1.309  -1.993  1.00  0.00           O  
HETATM   31  C   UNL     1      -8.155  -2.095   0.108  1.00  0.00           C  
HETATM   32  O   UNL     1      -9.051  -1.628   1.118  1.00  0.00           O  
HETATM   33  H   UNL     1       3.563   2.346   1.229  1.00  0.00           H  
HETATM   34  H   UNL     1       7.851   0.745  -1.693  1.00  0.00           H  
HETATM   35  H   UNL     1       7.954   1.840  -0.294  1.00  0.00           H  
HETATM   36  H   UNL     1       9.969  -0.249  -0.664  1.00  0.00           H  
HETATM   37  H   UNL     1       9.781   0.818   0.749  1.00  0.00           H  
HETATM   38  H   UNL     1       6.542  -1.542  -0.458  1.00  0.00           H  
HETATM   39  H   UNL     1       8.066  -1.635  -1.374  1.00  0.00           H  
HETATM   40  H   UNL     1       3.315  -0.281  -2.156  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.197  -3.086   1.627  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.665  -1.518   2.327  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.916  -2.706   1.888  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.663  -0.255   1.137  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.774   0.775  -1.595  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.846   1.631  -0.462  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.789   2.476   1.441  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.035  -0.142  -1.949  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.470  -0.069  -1.856  1.00  0.00           H  
HETATM   50  H   UNL     1       6.017   2.262   1.100  1.00  0.00           H  
HETATM   51  H   UNL     1      11.057  -1.265   1.296  1.00  0.00           H  
HETATM   52  H   UNL     1       9.544  -1.138   2.226  1.00  0.00           H  
HETATM   53  H   UNL     1       7.636  -2.527   1.515  1.00  0.00           H  
HETATM   54  H   UNL     1       7.863  -3.592   0.105  1.00  0.00           H  
HETATM   55  H   UNL     1       5.771  -0.359  -2.258  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.000  -1.670  -2.496  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.696  -2.734  -0.590  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.349  -2.664   0.572  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.461  -2.333   1.637  1.00  0.00           H  
CONECT    1   18   18   17   20                                       
CONECT    2   13   19   19   16                                       
CONECT    3   20   20   20   21                                       
CONECT    4   21   22   22   33                                       
CONECT    5   23   24   34   35                                       
CONECT    6   25   24   36   37                                       
CONECT    7   24   27   38   39                                       
CONECT    8   21   21   28   40                                       
CONECT    9   10   41   42   43                                       
CONECT   10    9   11                                                 
CONECT   11   29   10   12   44                                       
CONECT   12   11   13   45   46                                       
CONECT   13   12    2   14                                            
CONECT   14   13   15   15                                            
CONECT   15   14   14   16                                            
CONECT   16    2   15   17   17                                       
CONECT   17   16   16    1   47                                       
CONECT   18   19    1    1   48                                       
CONECT   19    2    2   18   49                                       
CONECT   20    1    3    3    3                                       
CONECT   21    3    8    8    4                                       
CONECT   22    4    4   23   50                                       
CONECT   23   28   28   22    5                                       
CONECT   24    5    6    7                                            
CONECT   25    6   26   51   52                                       
CONECT   26   25   27                                                 
CONECT   27    7   26   53   54                                       
CONECT   28    8   23   23   55                                       
CONECT   29   30   31   11                                            
CONECT   30   29   56                                                 
CONECT   31   32   29   57   58                                       
CONECT   32   31   59                                                 
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   22                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
