COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.910   2.155   0.064  1.00  0.00           N  
HETATM    2  C   UNL     1      -6.107   3.278   0.100  1.00  0.00           C  
HETATM    3  S   UNL     1      -5.359   1.682  -0.327  1.00  0.00           S  
HETATM    4  C   UNL     1      -3.587   1.984  -0.087  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.804   0.711  -0.412  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.331   0.962  -0.212  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.372  -0.148  -0.332  1.00  0.00           C  
HETATM    8  N   UNL     1       0.927  -0.014  -0.293  1.00  0.00           N  
HETATM    9  O   UNL     1       6.539   2.591   0.550  1.00  0.00           O  
HETATM   10  C   UNL     1       3.379   0.864   0.142  1.00  0.00           C  
HETATM   11  C   UNL     1       4.282   1.859   0.384  1.00  0.00           C  
HETATM   12  C   UNL     1       5.647   1.597   0.310  1.00  0.00           C  
HETATM   13  C   UNL     1       6.101   0.321  -0.010  1.00  0.00           C  
HETATM   14  C   UNL     1       5.208  -0.683  -0.253  1.00  0.00           C  
HETATM   15  C   UNL     1       3.830  -0.426  -0.181  1.00  0.00           C  
HETATM   16  C   UNL     1       2.868  -1.496  -0.440  1.00  0.00           C  
HETATM   17  C   UNL     1       1.512  -1.225  -0.431  1.00  0.00           C  
HETATM   18  C   UNL     1       0.413  -2.198  -0.569  1.00  0.00           C  
HETATM   19  O   UNL     1       0.510  -3.403  -0.715  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.723  -1.471  -0.494  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.089  -1.995  -0.580  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.602  -2.288   0.806  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.900  -2.079   1.767  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.840  -2.779   0.974  1.00  0.00           O  
HETATM   25  H   UNL     1       0.027   2.303   0.266  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.861   3.531   1.131  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.720   4.050  -0.566  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.190   3.213  -0.010  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.263   2.789  -0.748  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.404   2.269   0.949  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.128  -0.093   0.249  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.987   0.426  -1.448  1.00  0.00           H  
HETATM   33  H   UNL     1       6.804   2.666   1.478  1.00  0.00           H  
HETATM   34  H   UNL     1       2.320   1.067   0.204  1.00  0.00           H  
HETATM   35  H   UNL     1       3.937   2.851   0.633  1.00  0.00           H  
HETATM   36  H   UNL     1       7.161   0.125  -0.066  1.00  0.00           H  
HETATM   37  H   UNL     1       5.561  -1.673  -0.502  1.00  0.00           H  
HETATM   38  H   UNL     1       3.217  -2.499  -0.639  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.732  -1.256  -1.058  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.089  -2.912  -1.169  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.125  -2.951   1.881  1.00  0.00           H  
CONECT    1    6    6   25                                            
CONECT    2    3   26   27   28                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   29   30                                       
CONECT    5    4    6   31   32                                       
CONECT    6    7    5    1    1                                       
CONECT    7   20    8    8    6                                       
CONECT    8   17    7    7                                            
CONECT    9   12   33                                                 
CONECT   10   15   15   11   34                                       
CONECT   11   10   12   12   35                                       
CONECT   12   11   11    9   13                                       
CONECT   13   12   14   14   36                                       
CONECT   14   15   13   13   37                                       
CONECT   15   16   10   10   14                                       
CONECT   16   17   17   15   38                                       
CONECT   17   18   16   16    8                                       
CONECT   18   19   19   17   20                                       
CONECT   19   18   18                                                 
CONECT   20   18    7   21                                            
CONECT   21   22   20   39   40                                       
CONECT   22   24   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   22   41                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   24                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
