COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.282  -4.749   0.843  1.00  0.00           C  
HETATM    2  C   UNL     1       5.172  -4.017  -0.163  1.00  0.00           C  
HETATM    3  C   UNL     1       5.299  -4.856  -1.437  1.00  0.00           C  
HETATM    4  C   UNL     1       4.548  -2.663  -0.505  1.00  0.00           C  
HETATM    5  C   UNL     1       4.536  -1.778   0.743  1.00  0.00           C  
HETATM    6  C   UNL     1       2.608  -0.305   0.551  1.00  0.00           C  
HETATM    7  C   UNL     1       2.025   0.997   0.220  1.00  0.00           C  
HETATM    8  N   UNL     1       3.938  -0.481   0.416  1.00  0.00           N  
HETATM    9  N   UNL     1       4.210   1.766  -0.350  1.00  0.00           N  
HETATM   10  O   UNL     1       1.903  -1.215   0.947  1.00  0.00           O  
HETATM   11  C   UNL     1       2.865   2.007  -0.228  1.00  0.00           C  
HETATM   12  O   UNL     1       2.361   3.214  -0.553  1.00  0.00           O  
HETATM   13  N   UNL     1       6.039   0.604  -0.240  1.00  0.00           N  
HETATM   14  C   UNL     1       5.251   2.566  -0.772  1.00  0.00           C  
HETATM   15  C   UNL     1       6.369   1.824  -0.693  1.00  0.00           C  
HETATM   16  C   UNL     1       4.742   0.551  -0.028  1.00  0.00           C  
HETATM   17  C   UNL     1       0.577   1.230   0.360  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.313   1.186   0.369  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.546   0.098   0.772  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.165  -1.118   1.028  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.720  -1.389  -0.388  1.00  0.00           O  
HETATM   22  S   UNL     1      -6.314  -1.576  -0.471  1.00  0.00           S  
HETATM   23  O   UNL     1      -5.688  -2.703   0.127  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.743  -1.362  -2.179  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.681  -0.279   0.342  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.295  -0.152   0.484  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.677   1.067   0.226  1.00  0.00           C  
HETATM   28  S   UNL     1      -1.503   2.716   0.037  1.00  0.00           S  
HETATM   29  O   UNL     1      -1.670   3.522   1.196  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.916   3.120  -1.261  1.00  0.00           O  
HETATM   31  N   UNL     1       0.114   2.364  -0.066  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.533  -1.241   0.885  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.165   0.232   0.921  1.00  0.00           N  
HETATM   34  H   UNL     1       4.192  -4.152   1.750  1.00  0.00           H  
HETATM   35  H   UNL     1       3.294  -4.904   0.410  1.00  0.00           H  
HETATM   36  H   UNL     1       4.727  -5.714   1.087  1.00  0.00           H  
HETATM   37  H   UNL     1       6.160  -3.863   0.270  1.00  0.00           H  
HETATM   38  H   UNL     1       4.311  -5.010  -1.870  1.00  0.00           H  
HETATM   39  H   UNL     1       5.933  -4.334  -2.154  1.00  0.00           H  
HETATM   40  H   UNL     1       5.744  -5.821  -1.193  1.00  0.00           H  
HETATM   41  H   UNL     1       5.134  -2.180  -1.287  1.00  0.00           H  
HETATM   42  H   UNL     1       3.527  -2.812  -0.855  1.00  0.00           H  
HETATM   43  H   UNL     1       3.950  -2.261   1.525  1.00  0.00           H  
HETATM   44  H   UNL     1       5.557  -1.629   1.093  1.00  0.00           H  
HETATM   45  H   UNL     1       2.986   3.881  -0.868  1.00  0.00           H  
HETATM   46  H   UNL     1       5.181   3.592  -1.102  1.00  0.00           H  
HETATM   47  H   UNL     1       7.364   2.154  -0.951  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.577  -1.969   1.340  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.038  -0.376  -2.540  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.657  -1.452  -2.213  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.191  -2.129  -2.811  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.271   0.392   0.720  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.266   1.918  -0.085  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.012  -2.188   1.085  1.00  0.00           H  
HETATM   55  H   UNL     1       0.298  -0.429   1.459  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3    4   37                                       
CONECT    3    2   38   39   40                                       
CONECT    4    2    5   41   42                                       
CONECT    5    4    8   43   44                                       
CONECT    6    7   10   10    8                                       
CONECT    7    6   17   11   11                                       
CONECT    8    5    6   16                                            
CONECT    9   11   14   16                                            
CONECT   10    6    6                                                 
CONECT   11    9   12    7    7                                       
CONECT   12   11   45                                                 
CONECT   13   16   16   15                                            
CONECT   14    9   15   15   46                                       
CONECT   15   13   14   14   47                                       
CONECT   16   13   13    9    8                                       
CONECT   17    7   31   31   33                                       
CONECT   18   27   27   19   28                                       
CONECT   19   20   20   18   33                                       
CONECT   20   19   19   32   48                                       
CONECT   21   22   22                                                 
CONECT   22   24   21   21   23                                       
CONECT   22   23   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   49   50   51                                       
CONECT   25   22   26   52                                            
CONECT   26   25   27   32   32                                       
CONECT   27   18   18   26   53                                       
CONECT   28   30   30   29   29                                       
CONECT   28   18   31                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   17   17   28                                            
CONECT   32   20   26   26   54                                       
CONECT   33   17   19   55                                            
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   20                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
