COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.439   2.931   1.527  1.00  0.00           C  
HETATM    2  S   UNL     1      -5.531   1.360   1.517  1.00  0.00           S  
HETATM    3  C   UNL     1      -4.738   1.371  -0.056  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.911   2.448  -0.916  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.288   2.454  -2.149  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.492   1.388  -2.527  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.317   0.314  -1.674  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.932   0.305  -0.438  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.735  -0.863   0.494  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.870  -1.890   0.294  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.135  -3.250   0.429  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.766  -2.930  -0.224  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.470  -1.544   0.182  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.242  -0.993   0.255  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.116   0.163   0.603  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.027  -1.811  -0.095  1.00  0.00           C  
HETATM   17  N   UNL     1       1.177  -0.990   0.063  1.00  0.00           N  
HETATM   18  C   UNL     1       2.390  -1.516  -0.197  1.00  0.00           C  
HETATM   19  O   UNL     1       2.486  -2.672  -0.562  1.00  0.00           O  
HETATM   20  N   UNL     1       3.497  -0.761  -0.051  1.00  0.00           N  
HETATM   21  C   UNL     1       4.816  -1.333  -0.333  1.00  0.00           C  
HETATM   22  C   UNL     1       5.877  -0.290  -0.095  1.00  0.00           C  
HETATM   23  C   UNL     1       6.268   0.545  -1.126  1.00  0.00           C  
HETATM   24  C   UNL     1       7.240   1.502  -0.911  1.00  0.00           C  
HETATM   25  C   UNL     1       7.825   1.626   0.343  1.00  0.00           C  
HETATM   26  N   UNL     1       8.808   2.593   0.564  1.00  0.00           N  
HETATM   27  C   UNL     1       7.430   0.786   1.376  1.00  0.00           C  
HETATM   28  C   UNL     1       6.454  -0.166   1.156  1.00  0.00           C  
HETATM   29  H   UNL     1      -5.736   3.757   1.419  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.148   2.946   0.700  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.977   3.033   2.470  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.534   3.281  -0.622  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.423   3.291  -2.818  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.006   1.395  -3.491  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.695  -0.517  -1.973  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.727  -0.516   1.527  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.628  -1.784   1.070  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.313  -1.788  -0.696  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.013  -3.527   1.476  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.656  -4.033  -0.123  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.999  -3.608   0.152  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.838  -3.002  -1.309  1.00  0.00           H  
HETATM   43  H   UNL     1       0.033  -2.675   0.567  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.102  -2.150  -1.128  1.00  0.00           H  
HETATM   45  H   UNL     1       1.100  -0.068   0.355  1.00  0.00           H  
HETATM   46  H   UNL     1       4.990  -2.185   0.323  1.00  0.00           H  
HETATM   47  H   UNL     1       4.855  -1.661  -1.372  1.00  0.00           H  
HETATM   48  H   UNL     1       5.813   0.448  -2.100  1.00  0.00           H  
HETATM   49  H   UNL     1       7.544   2.154  -1.716  1.00  0.00           H  
HETATM   50  H   UNL     1       7.883   0.879   2.352  1.00  0.00           H  
HETATM   51  H   UNL     1       6.143  -0.817   1.960  1.00  0.00           H  
HETATM   52  H   UNL     1       3.420   0.161   0.241  1.00  0.00           H  
HETATM   53  H   UNL     1       9.082   3.180  -0.158  1.00  0.00           H  
HETATM   54  H   UNL     1       9.216   2.679   1.440  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    7   34                                       
CONECT    7    8    8    6   35                                       
CONECT    8    3    9    7    7                                       
CONECT    9    8   10   13   36                                       
CONECT   10    9   11   37   38                                       
CONECT   11   10   12   39   40                                       
CONECT   12   13   11   41   42                                       
CONECT   13    9   14   12                                            
CONECT   14   16   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   43   44                                       
CONECT   17   16   18   45                                            
CONECT   18   19   19   17   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   52                                            
CONECT   21   22   20   46   47                                       
CONECT   22   21   28   28   23                                       
CONECT   23   22   24   24   48                                       
CONECT   24   23   23   25   49                                       
CONECT   25   27   27   24   26                                       
CONECT   26   25   53   54                                            
CONECT   27   28   25   25   50                                       
CONECT   28   22   22   27   51                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   20                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
