COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -4.212   0.360   0.944  1.00  0.00           S  
HETATM    2  N   UNL     1       6.477  -0.961   0.184  1.00  0.00           N  
HETATM    3  C   UNL     1       6.102   0.302   0.272  1.00  0.00           C  
HETATM    4  N   UNL     1       4.836   0.664   0.279  1.00  0.00           N  
HETATM    5  C   UNL     1       3.871  -0.246   0.198  1.00  0.00           C  
HETATM    6  C   UNL     1       4.219  -1.604   0.103  1.00  0.00           C  
HETATM    7  C   UNL     1       5.583  -1.940   0.098  1.00  0.00           C  
HETATM    8  N   UNL     1       5.987  -3.261   0.006  1.00  0.00           N  
HETATM    9  N   UNL     1       3.064  -2.309   0.034  1.00  0.00           N  
HETATM   10  C   UNL     1       2.054  -1.490   0.080  1.00  0.00           C  
HETATM   11  N   UNL     1       2.500  -0.205   0.182  1.00  0.00           N  
HETATM   12  C   UNL     1       1.667   0.998   0.259  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.846  -1.367  -0.408  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.982  -2.502  -1.425  1.00  0.00           C  
HETATM   15  N   UNL     1      -7.397  -2.868  -1.565  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.372  -0.985  -0.262  1.00  0.00           C  
HETATM   17  C   UNL     1       1.481   1.624  -1.147  1.00  0.00           C  
HETATM   18  O   UNL     1       2.559   2.510  -1.456  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.779   1.559   0.432  1.00  0.00           O  
HETATM   20  C   UNL     1       0.155   2.405  -0.981  1.00  0.00           C  
HETATM   21  O   UNL     1       0.416   3.784  -0.712  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.529  -0.101   2.250  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.527   1.739   0.230  1.00  0.00           C  
HETATM   24  O   UNL     1       0.321   0.660   0.657  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.897   1.194  -0.178  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.586   0.670   1.003  1.00  0.00           N  
HETATM   27  H   UNL     1       6.861   1.067   0.340  1.00  0.00           H  
HETATM   28  H   UNL     1       6.932  -3.480   0.004  1.00  0.00           H  
HETATM   29  H   UNL     1       5.325  -3.967  -0.056  1.00  0.00           H  
HETATM   30  H   UNL     1       1.015  -1.784   0.043  1.00  0.00           H  
HETATM   31  H   UNL     1       2.103   1.721   0.947  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.413  -0.502  -0.751  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.234  -1.696   0.556  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.594  -2.173  -2.390  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.414  -3.367  -1.082  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.513  -3.616  -2.232  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.797  -3.115  -0.672  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.985  -0.656  -1.227  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.805  -1.850   0.081  1.00  0.00           H  
HETATM   40  H   UNL     1       1.385   0.850  -1.908  1.00  0.00           H  
HETATM   41  H   UNL     1       2.488   2.927  -2.326  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.463   2.302  -1.873  1.00  0.00           H  
HETATM   43  H   UNL     1       0.896   4.238  -1.418  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.639   2.464   1.037  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.490   1.996  -0.620  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.767   0.395  -0.908  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.091   0.506   1.821  1.00  0.00           H  
CONECT    1   16   19   19   22                                       
CONECT    1   22   26                                                 
CONECT    2    3    3    7                                            
CONECT    3    2    2    4   27                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6   11                                       
CONECT    6    5    7    7    9                                       
CONECT    7    2    6    6    8                                       
CONECT    8    7   28   29                                            
CONECT    9    6   10   10                                            
CONECT   10    9    9   11   30                                       
CONECT   11    5   10   12                                            
CONECT   12   11   17   24   31                                       
CONECT   13   14   16   32   33                                       
CONECT   14   13   15   34   35                                       
CONECT   15   14   36   37                                            
CONECT   16    1   13   38   39                                       
CONECT   17   12   18   20   40                                       
CONECT   18   17   41                                                 
CONECT   19    1    1                                                 
CONECT   20   17   21   23   42                                       
CONECT   21   20   43                                                 
CONECT   22    1    1                                                 
CONECT   23   20   24   25   44                                       
CONECT   24   12   23                                                 
CONECT   25   23   26   45   46                                       
CONECT   26    1   25   47                                            
CONECT   27    3                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
