COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.148  -0.107  -2.004  1.00  0.00           C  
HETATM    2  N   UNL     1       1.324  -0.393  -0.096  1.00  0.00           N  
HETATM    3  O   UNL     1       0.526   0.863  -2.253  1.00  0.00           O  
HETATM    4  CA  UNL     1       0.164  -0.951  -0.795  1.00  0.00           C  
HETATM    5  C   UNL     1       2.391  -1.107   0.058  1.00  0.00           C  
HETATM    6  C   UNL     1       5.796   0.292  -0.560  1.00  0.00           C  
HETATM    7  C   UNL     1       5.324   1.655  -0.061  1.00  0.00           C  
HETATM    8  C   UNL     1       5.976  -0.637   0.616  1.00  0.00           C  
HETATM    9  C   UNL     1       3.869   1.760   0.129  1.00  0.00           C  
HETATM   10  C   UNL     1       4.679  -1.426   0.870  1.00  0.00           C  
HETATM   11  C   UNL     1       3.395   0.767   1.219  1.00  0.00           C  
HETATM   12  N   UNL     1       3.476  -0.585   0.712  1.00  0.00           N  
HETATM   13  H   UNL     1      -0.976  -0.368  -2.645  1.00  0.00           H  
HETATM   14  HA  UNL     1       0.386  -1.970  -1.111  1.00  0.00           H  
HETATM   15  H   UNL     1       2.428  -2.114  -0.329  1.00  0.00           H  
HETATM   16  H   UNL     1       5.053  -0.124  -1.241  1.00  0.00           H  
HETATM   17  H   UNL     1       6.746   0.405  -1.083  1.00  0.00           H  
HETATM   18  H   UNL     1       5.812   1.863   0.891  1.00  0.00           H  
HETATM   19  H   UNL     1       5.635   2.413  -0.779  1.00  0.00           H  
HETATM   20  H   UNL     1       6.787  -1.334   0.405  1.00  0.00           H  
HETATM   21  H   UNL     1       6.224  -0.053   1.502  1.00  0.00           H  
HETATM   22  H   UNL     1       3.617   2.776   0.432  1.00  0.00           H  
HETATM   23  H   UNL     1       3.365   1.531  -0.810  1.00  0.00           H  
HETATM   24  H   UNL     1       4.625  -2.256   0.166  1.00  0.00           H  
HETATM   25  H   UNL     1       4.701  -1.825   1.884  1.00  0.00           H  
HETATM   26  H   UNL     1       4.032   0.863   2.099  1.00  0.00           H  
HETATM   27  H   UNL     1       2.364   0.991   1.491  1.00  0.00           H  
HETATM   28  N   UNL     1      -1.558   0.420   0.371  1.00  0.00           N  
HETATM   29  CA  UNL     1      -2.939   0.389   0.864  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.742  -0.807   0.319  1.00  0.00           C  
HETATM   31  S   UNL     1      -2.501  -1.750  -0.653  1.00  0.00           S  
HETATM   32  C   UNL     1      -1.043  -0.960   0.146  1.00  0.00           C  
HETATM   33  H   UNL     1      -1.486   0.974  -0.469  1.00  0.00           H  
HETATM   34  HA  UNL     1      -2.922   0.336   1.952  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.799  -1.448   1.089  1.00  0.00           H  
HETATM   36  C   UNL     1      -4.286  -1.659   1.469  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.881  -0.326  -0.582  1.00  0.00           C  
HETATM   38  H   UNL     1      -4.939  -1.050   2.094  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.850  -2.498   1.063  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.456  -2.034   2.067  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.468   0.233  -1.422  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.436  -1.186  -0.956  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.550   0.318  -0.010  1.00  0.00           H  
HETATM   44  C   UNL     1      -3.629   1.665   0.455  1.00  0.00           C  
HETATM   45  O   UNL     1      -4.752   2.051   1.081  1.00  0.00           O  
HETATM   46  OXT UNL     1      -3.172   2.340  -0.437  1.00  0.00           O  
HETATM   47  H   UNL     1      -5.159   2.876   0.784  1.00  0.00           H  
CONECT    1    3    3    4   13                                       
CONECT    2    5    5    4                                            
CONECT    3    1    1                                                 
CONECT    4    2    1   14   32                                       
CONECT    5   12    2    2   15                                       
CONECT    6    7    8   16   17                                       
CONECT    7    6    9   18   19                                       
CONECT    8    6   10   20   21                                       
CONECT    9    7   11   22   23                                       
CONECT   10    8   12   24   25                                       
CONECT   11    9   12   26   27                                       
CONECT   12   11   10    5                                            
CONECT   13    1                                                      
CONECT   14    4                                                      
CONECT   15    5                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21    8                                                      
CONECT   22    9                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   32   29   33                                            
CONECT   29   28   30   34   44                                       
CONECT   30   29   31   36   37                                       
CONECT   31   30   32                                                 
CONECT   32    4   28   31   35                                       
CONECT   33   28                                                      
CONECT   34   29                                                      
CONECT   35   32                                                      
CONECT   36   30   38   39   40                                       
CONECT   37   30   41   42   43                                       
CONECT   38   36                                                      
CONECT   39   36                                                      
CONECT   40   36                                                      
CONECT   41   37                                                      
CONECT   42   37                                                      
CONECT   43   37                                                      
CONECT   44   29   45   46   46                                       
CONECT   45   44   47                                                 
CONECT   46   44   44                                                 
CONECT   47   45                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
