COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.930  -0.228   0.236  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.072  -0.731   0.930  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.298  -0.931   2.243  1.00  0.00           N  
HETATM    4  O   UNL     1      -5.537  -0.554   2.814  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.754  -1.138   0.321  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.845  -2.618  -0.116  1.00  0.00           C  
HETATM    7  S   UNL     1      -1.834  -2.602  -1.656  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.304  -0.878  -2.097  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.449  -0.236  -0.779  1.00  0.00           N  
HETATM   10  S   UNL     1      -2.274   1.396  -0.562  1.00  0.00           S  
HETATM   11  O   UNL     1      -2.578   2.002  -1.810  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.954   1.715   0.644  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.667   1.683  -0.282  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.123   1.661   1.084  1.00  0.00           C  
HETATM   15  C   UNL     1       1.102   0.740   1.105  1.00  0.00           C  
HETATM   16  C   UNL     1       0.255   1.962  -1.394  1.00  0.00           C  
HETATM   17  C   UNL     1       1.463   1.028  -1.270  1.00  0.00           C  
HETATM   18  N   UNL     1       2.049   1.165   0.066  1.00  0.00           N  
HETATM   19  C   UNL     1       3.243   0.457   0.160  1.00  0.00           C  
HETATM   20  C   UNL     1       3.241  -0.929   0.028  1.00  0.00           C  
HETATM   21  C   UNL     1       4.421  -1.632   0.121  1.00  0.00           C  
HETATM   22  C   UNL     1       4.438   1.137   0.379  1.00  0.00           C  
HETATM   23  C   UNL     1       4.436   2.637   0.516  1.00  0.00           C  
HETATM   24  C   UNL     1       5.621   0.439   0.472  1.00  0.00           C  
HETATM   25  C   UNL     1       5.622  -0.953   0.346  1.00  0.00           C  
HETATM   26  C   UNL     1       6.851  -1.681   0.443  1.00  0.00           C  
HETATM   27  N   UNL     1       7.826  -2.259   0.519  1.00  0.00           N  
HETATM   28  H   UNL     1      -3.611  -1.334   2.798  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.606  -0.737   3.761  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.976  -1.044   1.078  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.406  -3.276   0.634  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.876  -2.901  -0.327  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.515  -0.399  -2.678  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.249  -0.861  -2.640  1.00  0.00           H  
HETATM   35  H   UNL     1       0.172   2.668   1.377  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.878   1.282   1.773  1.00  0.00           H  
HETATM   37  H   UNL     1       1.583   0.797   2.082  1.00  0.00           H  
HETATM   38  H   UNL     1       0.788  -0.287   0.914  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.251   1.782  -2.343  1.00  0.00           H  
HETATM   40  H   UNL     1       0.587   2.999  -1.344  1.00  0.00           H  
HETATM   41  H   UNL     1       1.144  -0.003  -1.424  1.00  0.00           H  
HETATM   42  H   UNL     1       2.208   1.294  -2.020  1.00  0.00           H  
HETATM   43  H   UNL     1       2.313  -1.453  -0.146  1.00  0.00           H  
HETATM   44  H   UNL     1       4.419  -2.707   0.019  1.00  0.00           H  
HETATM   45  H   UNL     1       4.302   2.907   1.564  1.00  0.00           H  
HETATM   46  H   UNL     1       5.385   3.036   0.157  1.00  0.00           H  
HETATM   47  H   UNL     1       3.620   3.055  -0.074  1.00  0.00           H  
HETATM   48  H   UNL     1       6.548   0.967   0.642  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    1    1    3                                       
CONECT    3    2    4   28                                            
CONECT    4    3   29                                                 
CONECT    5    6    9    2   30                                       
CONECT    6    7    5   31   32                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   33   34                                       
CONECT    9    8    5   10                                            
CONECT   10   12   12    9   11                                       
CONECT   10   11   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   16   14                                            
CONECT   14   13   15   35   36                                       
CONECT   15   14   18   37   38                                       
CONECT   16   13   17   39   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   17   15   19                                            
CONECT   19   18   22   22   20                                       
CONECT   20   19   21   21   43                                       
CONECT   21   20   20   25   44                                       
CONECT   22   23   19   19   24                                       
CONECT   23   22   45   46   47                                       
CONECT   24   22   25   25   48                                       
CONECT   25   24   24   21   26                                       
CONECT   26   25   27   27   27                                       
CONECT   27   26   26   26                                            
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
