COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.636   3.350   0.147  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.860   2.775   0.303  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.999   1.378   0.229  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.856   0.574  -0.010  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.594   1.194  -0.175  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.500   2.575  -0.088  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.257   0.768   0.388  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.371  -0.583   0.313  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.245  -1.389   0.077  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.993  -0.817  -0.084  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.396  -2.859   0.000  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.354  -3.611  -0.219  1.00  0.00           N  
HETATM   13  N   UNL     1      -4.639  -3.433   0.160  1.00  0.00           N  
HETATM   14  O   UNL     1       0.708   3.179  -0.240  1.00  0.00           O  
HETATM   15  C   UNL     1       0.486   4.585  -0.108  1.00  0.00           C  
HETATM   16  C   UNL     1       0.614   0.375  -0.431  1.00  0.00           C  
HETATM   17  C   UNL     1       1.696   0.251   0.394  1.00  0.00           C  
HETATM   18  N   UNL     1       2.571  -0.583  -0.204  1.00  0.00           N  
HETATM   19  N   UNL     1       2.028  -0.982  -1.431  1.00  0.00           N  
HETATM   20  C   UNL     1       0.860  -0.413  -1.573  1.00  0.00           C  
HETATM   21  S   UNL     1       4.037  -1.051   0.407  1.00  0.00           S  
HETATM   22  O   UNL     1       4.252  -2.309  -0.219  1.00  0.00           O  
HETATM   23  O   UNL     1       3.848  -0.928   1.810  1.00  0.00           O  
HETATM   24  C   UNL     1       5.172   0.213  -0.229  1.00  0.00           C  
HETATM   25  H   UNL     1      -1.543   4.424   0.207  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.727   3.393   0.485  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.132   1.374   0.570  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.340  -1.044   0.436  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.130  -1.440  -0.266  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.454  -4.574  -0.269  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.738  -4.396   0.110  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.414  -2.873   0.323  1.00  0.00           H  
HETATM   33  H   UNL     1       1.432   5.114  -0.223  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.212   4.917  -0.876  1.00  0.00           H  
HETATM   35  H   UNL     1       0.069   4.796   0.877  1.00  0.00           H  
HETATM   36  H   UNL     1       1.824   0.730   1.354  1.00  0.00           H  
HETATM   37  H   UNL     1       0.198  -0.528  -2.419  1.00  0.00           H  
HETATM   38  H   UNL     1       4.863   1.194   0.133  1.00  0.00           H  
HETATM   39  H   UNL     1       6.184   0.001   0.117  1.00  0.00           H  
HETATM   40  H   UNL     1       5.151   0.205  -1.319  1.00  0.00           H  
CONECT    1    2    6    6   25                                       
CONECT    2    1    3    3   26                                       
CONECT    3    2    2    4    7                                       
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    6   16                                       
CONECT    6    1    1    5   14                                       
CONECT    7    3    8    8   27                                       
CONECT    8    7    7    9   28                                       
CONECT    9    8   10   10   11                                       
CONECT   10    4    9    9   29                                       
CONECT   11    9   12   12   13                                       
CONECT   12   11   11   30                                            
CONECT   13   11   31   32                                            
CONECT   14    6   15                                                 
CONECT   15   14   33   34   35                                       
CONECT   16    5   17   17   20                                       
CONECT   17   16   16   18   36                                       
CONECT   18   17   19   21                                            
CONECT   19   18   20   20                                            
CONECT   20   16   19   19   37                                       
CONECT   21   18   22   22   23                                       
CONECT   21   23   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   38   39   40                                       
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
CONECT   38   24                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
