COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.213  -3.175   0.536  1.00  0.00           O  
HETATM    2  S   UNL     1      -0.282  -1.876   0.830  1.00  0.00           S  
HETATM    3  C   UNL     1       1.101  -0.787   0.753  1.00  0.00           C  
HETATM    4  C   UNL     1       2.150  -1.066  -0.099  1.00  0.00           C  
HETATM    5  C   UNL     1       3.243  -0.209  -0.162  1.00  0.00           C  
HETATM    6  C   UNL     1       3.273   0.934   0.639  1.00  0.00           C  
HETATM    7  N   UNL     1       4.359   1.804   0.589  1.00  0.00           N  
HETATM    8  C   UNL     1       5.393   1.548  -0.236  1.00  0.00           C  
HETATM    9  C   UNL     1       5.361   0.327  -1.092  1.00  0.00           C  
HETATM   10  N   UNL     1       4.297  -0.498  -1.025  1.00  0.00           N  
HETATM   11  O   UNL     1       6.283   0.079  -1.842  1.00  0.00           O  
HETATM   12  O   UNL     1       6.342   2.305  -0.283  1.00  0.00           O  
HETATM   13  C   UNL     1       2.211   1.205   1.493  1.00  0.00           C  
HETATM   14  C   UNL     1       1.129   0.349   1.544  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.296  -1.469  -0.415  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.332  -0.558  -0.203  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.461  -0.614  -0.989  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.504   0.300  -0.768  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.673   0.274  -1.549  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.664   1.175  -1.308  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.538   2.126  -0.298  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.421   2.181   0.478  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.376   1.267   0.260  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.209   1.297   1.043  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.214   0.401   0.812  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.105  -2.066  -1.739  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.974  -1.561   2.030  1.00  0.00           O  
HETATM   28  H   UNL     1       2.122  -1.952  -0.717  1.00  0.00           H  
HETATM   29  H   UNL     1       4.370   2.596   1.150  1.00  0.00           H  
HETATM   30  H   UNL     1       4.266  -1.295  -1.577  1.00  0.00           H  
HETATM   31  H   UNL     1       2.230   2.088   2.114  1.00  0.00           H  
HETATM   32  H   UNL     1       0.304   0.564   2.206  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.544  -1.356  -1.769  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.783  -0.457  -2.336  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.560   1.153  -1.910  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.339   2.831  -0.127  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.338   2.924   1.258  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.103   2.031   1.829  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.322   0.426   1.420  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.684  -2.987  -1.809  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.440  -1.366  -2.505  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.049  -2.289  -1.888  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   15   27                                       
CONECT    2   27    3                                                 
CONECT    3    2   14   14    4                                       
CONECT    4    3    5    5   28                                       
CONECT    5    4    4    6   10                                       
CONECT    6   13   13    5    7                                       
CONECT    7    6    8   29                                            
CONECT    8    7    9   12   12                                       
CONECT    9   10    8   11   11                                       
CONECT   10    5    9   30                                            
CONECT   11    9    9                                                 
CONECT   12    8    8                                                 
CONECT   13   14    6    6   31                                       
CONECT   14    3    3   13   32                                       
CONECT   15   16    2   26                                            
CONECT   16   17   17   25   15                                       
CONECT   17   18   16   16   33                                       
CONECT   18   19   23   23   17                                       
CONECT   19   20   20   18   34                                       
CONECT   20   21   19   19   35                                       
CONECT   21   20   22   22   36                                       
CONECT   22   21   21   23   37                                       
CONECT   23   22   18   18   24                                       
CONECT   24   23   25   25   38                                       
CONECT   25   24   24   16   39                                       
CONECT   26   15   40   41   42                                       
CONECT   27    2    2                                                 
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30   10                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   17                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   26                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
