COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.648  -0.132   0.159  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.730  -0.339  -0.854  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.508  -0.918  -0.574  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.206  -1.303   0.726  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.131  -1.094   1.742  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.348  -0.509   1.455  1.00  0.00           C  
HETATM    7  N   UNL     1       1.028  -1.896   1.013  1.00  0.00           N  
HETATM    8  C   UNL     1       1.890  -2.175   0.015  1.00  0.00           C  
HETATM    9  S   UNL     1       2.053  -3.783  -0.550  1.00  0.00           S  
HETATM   10  N   UNL     1       2.623  -1.189  -0.538  1.00  0.00           N  
HETATM   11  N   UNL     1       2.576   0.072  -0.015  1.00  0.00           N  
HETATM   12  C   UNL     1       2.227   0.974  -1.120  1.00  0.00           C  
HETATM   13  C   UNL     1       2.275   2.424  -0.635  1.00  0.00           C  
HETATM   14  N   UNL     1       3.644   2.762  -0.226  1.00  0.00           N  
HETATM   15  C   UNL     1       3.593   4.118   0.337  1.00  0.00           C  
HETATM   16  C   UNL     1       3.993   1.860   0.879  1.00  0.00           C  
HETATM   17  C   UNL     1       3.944   0.410   0.394  1.00  0.00           C  
HETATM   18  S   UNL     1      -4.203   0.615  -0.202  1.00  0.00           S  
HETATM   19  N   UNL     1      -4.018   2.251  -0.032  1.00  0.00           N  
HETATM   20  O   UNL     1      -4.424   0.393  -1.588  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.076   0.214   0.844  1.00  0.00           O  
HETATM   22  H   UNL     1      -1.967  -0.043  -1.866  1.00  0.00           H  
HETATM   23  H   UNL     1       0.209  -1.079  -1.365  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.897  -1.389   2.754  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.068  -0.346   2.244  1.00  0.00           H  
HETATM   26  H   UNL     1       1.264  -2.106   1.930  1.00  0.00           H  
HETATM   27  H   UNL     1       3.184  -1.374  -1.307  1.00  0.00           H  
HETATM   28  H   UNL     1       1.222   0.743  -1.473  1.00  0.00           H  
HETATM   29  H   UNL     1       2.937   0.840  -1.936  1.00  0.00           H  
HETATM   30  H   UNL     1       1.602   2.545   0.213  1.00  0.00           H  
HETATM   31  H   UNL     1       1.964   3.087  -1.443  1.00  0.00           H  
HETATM   32  H   UNL     1       2.918   4.132   1.192  1.00  0.00           H  
HETATM   33  H   UNL     1       4.591   4.416   0.657  1.00  0.00           H  
HETATM   34  H   UNL     1       3.233   4.813  -0.422  1.00  0.00           H  
HETATM   35  H   UNL     1       4.998   2.091   1.232  1.00  0.00           H  
HETATM   36  H   UNL     1       3.283   1.994   1.695  1.00  0.00           H  
HETATM   37  H   UNL     1       4.256  -0.253   1.202  1.00  0.00           H  
HETATM   38  H   UNL     1       4.618   0.289  -0.454  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.157   2.618   0.225  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.770   2.843  -0.190  1.00  0.00           H  
CONECT    1    2    6    6   18                                       
CONECT    2    1    3    3   22                                       
CONECT    3    2    2    4   23                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   24                                       
CONECT    6    1    1    5   25                                       
CONECT    7    4    8   26                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   27                                            
CONECT   11   10   12   17                                            
CONECT   12   11   13   28   29                                       
CONECT   13   12   14   30   31                                       
CONECT   14   13   15   16                                            
CONECT   15   14   32   33   34                                       
CONECT   16   14   17   35   36                                       
CONECT   17   11   16   37   38                                       
CONECT   18    1   19   20   20                                       
CONECT   18   21   21                                                 
CONECT   19   18   39   40                                            
CONECT   20   18   18                                                 
CONECT   21   18   18                                                 
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27   10                                                      
CONECT   28   12                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
