COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.715   0.472   0.471  1.00  0.00           C  
HETATM    2  C   UNL     1       3.884   0.253  -0.277  1.00  0.00           C  
HETATM    3  C   UNL     1       5.084   0.852   0.154  1.00  0.00           C  
HETATM    4  N   UNL     1       5.061   1.602   1.254  1.00  0.00           N  
HETATM    5  N   UNL     1       2.794   1.244   1.554  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.126   3.597  -1.272  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.598   2.235  -0.817  1.00  0.00           C  
HETATM    8  S   UNL     1      -3.964   1.253  -0.139  1.00  0.00           S  
HETATM    9  O   UNL     1      -4.425   1.816   1.082  1.00  0.00           O  
HETATM   10  O   UNL     1      -4.875   0.889  -1.167  1.00  0.00           O  
HETATM   11  N   UNL     1      -3.262  -0.178   0.310  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.627  -0.711   1.525  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.004  -1.477  -0.329  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.807  -1.643   0.622  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.639  -3.061   1.172  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.951  -3.896   0.175  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.421  -4.541  -0.595  1.00  0.00           N  
HETATM   18  N   UNL     1      -0.555  -1.059   0.133  1.00  0.00           N  
HETATM   19  C   UNL     1       0.447  -0.590   0.899  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.194  -0.900  -1.210  1.00  0.00           N  
HETATM   21  C   UNL     1       0.987  -0.346  -1.260  1.00  0.00           C  
HETATM   22  C   UNL     1       1.427  -0.134   0.063  1.00  0.00           C  
HETATM   23  C   UNL     1       3.942   1.779   1.924  1.00  0.00           C  
HETATM   24  C   UNL     1       4.214  -0.495  -1.487  1.00  0.00           C  
HETATM   25  C   UNL     1       5.527  -0.316  -1.709  1.00  0.00           C  
HETATM   26  N   UNL     1       6.058   0.488  -0.734  1.00  0.00           N  
HETATM   27  H   UNL     1      -3.562   4.121  -0.422  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.305   4.187  -1.680  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.886   3.454  -2.040  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.162   1.712  -1.668  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.838   2.378  -0.049  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.020   0.024   2.055  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.319  -1.238   2.181  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.796  -2.207  -0.162  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.720  -1.396  -1.378  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.048  -3.027   2.088  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.620  -3.485   1.388  1.00  0.00           H  
HETATM   38  H   UNL     1       0.472  -0.576   1.979  1.00  0.00           H  
HETATM   39  H   UNL     1       1.533  -0.097  -2.158  1.00  0.00           H  
HETATM   40  H   UNL     1       3.964   2.394   2.812  1.00  0.00           H  
HETATM   41  H   UNL     1       3.534  -1.081  -2.088  1.00  0.00           H  
HETATM   42  H   UNL     1       6.082  -0.742  -2.532  1.00  0.00           H  
HETATM   43  H   UNL     1       6.988   0.759  -0.682  1.00  0.00           H  
CONECT    1    5    5    2   22                                       
CONECT    2    3    3    1   24                                       
CONECT    3    4   26    2    2                                       
CONECT    4   23   23    3                                            
CONECT    5   23    1    1                                            
CONECT    6    7   27   28   29                                       
CONECT    7    6    8   30   31                                       
CONECT    8   11    7    9    9                                       
CONECT    8   10   10                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11   12   13    8                                            
CONECT   12   14   11   32   33                                       
CONECT   13   14   11   34   35                                       
CONECT   14   18   15   12   13                                       
CONECT   15   14   16   36   37                                       
CONECT   16   15   17   17   17                                       
CONECT   17   16   16   16                                            
CONECT   18   19   20   14                                            
CONECT   19   22   22   18   38                                       
CONECT   20   21   21   18                                            
CONECT   21   22   20   20   39                                       
CONECT   22    1   21   19   19                                       
CONECT   23    4    4    5   40                                       
CONECT   24   25   25    2   41                                       
CONECT   25   26   24   24   42                                       
CONECT   26    3   25   43                                            
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
