COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.572  -0.176   0.125  1.00  0.00           C  
HETATM    2  C   UNL     1       1.214  -0.117   0.827  1.00  0.00           C  
HETATM    3  C   UNL     1       0.155  -0.781  -0.055  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.223  -0.612   0.588  1.00  0.00           C  
HETATM    5  S   UNL     1      -2.479  -1.400  -0.458  1.00  0.00           S  
HETATM    6  O   UNL     1      -2.632  -0.686  -1.677  1.00  0.00           O  
HETATM    7  O   UNL     1      -2.320  -2.812  -0.450  1.00  0.00           O  
HETATM    8  O   UNL     1      -3.789  -1.166   0.281  1.00  0.00           O  
HETATM    9  N   UNL     1       1.295  -0.824   2.112  1.00  0.00           N  
HETATM   10  C   UNL     1       3.605   0.596   0.947  1.00  0.00           C  
HETATM   11  C   UNL     1       4.943   0.538   0.256  1.00  0.00           C  
HETATM   12  C   UNL     1       5.289   1.510  -0.663  1.00  0.00           C  
HETATM   13  C   UNL     1       6.516   1.457  -1.297  1.00  0.00           C  
HETATM   14  C   UNL     1       7.398   0.431  -1.012  1.00  0.00           C  
HETATM   15  C   UNL     1       7.052  -0.541  -0.092  1.00  0.00           C  
HETATM   16  C   UNL     1       5.827  -0.485   0.546  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.258   0.106   0.186  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.108   0.458  -0.852  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.583   1.751  -0.947  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.212   2.696  -0.008  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.363   2.348   1.028  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.891   1.054   1.130  1.00  0.00           C  
HETATM   23  H   UNL     1       2.887  -1.215   0.030  1.00  0.00           H  
HETATM   24  H   UNL     1       2.489   0.271  -0.866  1.00  0.00           H  
HETATM   25  H   UNL     1       0.941   0.924   1.002  1.00  0.00           H  
HETATM   26  H   UNL     1       0.156  -0.313  -1.040  1.00  0.00           H  
HETATM   27  H   UNL     1       0.381  -1.842  -0.157  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.224  -1.080   1.572  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.449   0.449   0.690  1.00  0.00           H  
HETATM   30  H   UNL     1       0.430  -0.744   2.624  1.00  0.00           H  
HETATM   31  H   UNL     1       3.291   1.635   1.043  1.00  0.00           H  
HETATM   32  H   UNL     1       3.689   0.150   1.938  1.00  0.00           H  
HETATM   33  H   UNL     1       4.601   2.312  -0.886  1.00  0.00           H  
HETATM   34  H   UNL     1       6.787   2.216  -2.016  1.00  0.00           H  
HETATM   35  H   UNL     1       8.356   0.388  -1.508  1.00  0.00           H  
HETATM   36  H   UNL     1       7.740  -1.343   0.131  1.00  0.00           H  
HETATM   37  H   UNL     1       5.558  -1.243   1.267  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.399  -0.280  -1.586  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.245   2.026  -1.755  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.584   3.707  -0.083  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.074   3.088   1.759  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.232   0.782   1.941  1.00  0.00           H  
HETATM   43  H   UNL     1       1.548  -1.792   1.976  1.00  0.00           H  
CONECT    1    2   10   23   24                                       
CONECT    2    1    3    9   25                                       
CONECT    3    2    4   26   27                                       
CONECT    4    3    5   28   29                                       
CONECT    5    4    6    6    7                                       
CONECT    5    7    8                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    5   17                                                 
CONECT    9    2   30   43                                            
CONECT   10    1   11   31   32                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   33                                       
CONECT   13   12   14   14   34                                       
CONECT   14   13   13   15   35                                       
CONECT   15   14   16   16   36                                       
CONECT   16   11   15   15   37                                       
CONECT   17    8   18   18   22                                       
CONECT   18   17   17   19   38                                       
CONECT   19   18   20   20   39                                       
CONECT   20   19   19   21   40                                       
CONECT   21   20   22   22   41                                       
CONECT   22   17   21   21   42                                       
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43    9                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
