COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.333  13.341  83.911  1.00  0.00           O  
HETATM    2  S   UNL     1       3.915  12.111  84.549  1.00  0.00           S  
HETATM    3  O   UNL     1       4.370  12.147  85.977  1.00  0.00           O  
HETATM    4  N   UNL     1       5.233  11.470  83.645  1.00  0.00           N  
HETATM    5  C   UNL     1       2.738  10.733  84.263  1.00  0.00           C  
HETATM    6  C   UNL     1       1.936  10.851  82.908  1.00  0.00           C  
HETATM    7  C   UNL     1       1.430   9.554  82.128  1.00  0.00           C  
HETATM    8  C   UNL     1       0.393   8.620  82.864  1.00  0.00           C  
HETATM    9  B   UNL     1      -1.339   8.721  82.588  1.00  0.00           B  
HETATM   10  B   UNL     1      -0.511   9.470  84.025  1.00  0.00           B  
HETATM   11  B   UNL     1      -1.910   7.149  83.174  1.00  0.00           B  
HETATM   12  B   UNL     1      -1.955   8.526  84.262  1.00  0.00           B  
HETATM   13  B   UNL     1      -0.437   7.236  82.180  1.00  0.00           B  
HETATM   14  B   UNL     1       0.948   7.086  83.342  1.00  0.00           B  
HETATM   15  B   UNL     1       0.876   8.459  84.466  1.00  0.00           B  
HETATM   16  B   UNL     1      -1.443   6.919  84.898  1.00  0.00           B  
HETATM   17  B   UNL     1       0.336   6.846  84.981  1.00  0.00           B  
HETATM   18  B   UNL     1      -0.597   8.373  85.428  1.00  0.00           B  
HETATM   19  C   UNL     1      -0.462   6.258  83.613  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.395   4.762  83.500  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.363   4.041  84.436  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.594   3.246  85.435  1.00  0.00           C  
HETATM   23  S   UNL     1      -1.598   2.367  86.648  1.00  0.00           S  
HETATM   24  O   UNL     1      -1.056   2.681  87.962  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.997   2.693  86.439  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.290   0.868  86.291  1.00  0.00           N  
HETATM   27  H   UNL     1       5.588  10.656  84.104  1.00  0.00           H  
HETATM   28  H   UNL     1       4.920  11.225  82.727  1.00  0.00           H  
HETATM   29  H   UNL     1       3.304   9.790  84.250  1.00  0.00           H  
HETATM   30  H   UNL     1       2.016  10.715  85.093  1.00  0.00           H  
HETATM   31  H   UNL     1       1.041  11.451  83.128  1.00  0.00           H  
HETATM   32  H   UNL     1       2.584  11.401  82.210  1.00  0.00           H  
HETATM   33  H   UNL     1       0.961   9.894  81.193  1.00  0.00           H  
HETATM   34  H   UNL     1       2.315   8.944  81.894  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.635   4.479  82.464  1.00  0.00           H  
HETATM   36  H   UNL     1       0.629   4.439  83.741  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.986   4.781  84.959  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.006   3.368  83.850  1.00  0.00           H  
HETATM   39  H   UNL     1       0.009   2.505  84.890  1.00  0.00           H  
HETATM   40  H   UNL     1       0.072   3.933  85.977  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.799   0.267  86.907  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.565   0.687  85.347  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   27   28                                            
CONECT    5    2    6   29   30                                       
CONECT    6    5    7   31   32                                       
CONECT    7    6    8   33   34                                       
CONECT    8    7   10   14   15                                       
CONECT    8    9   13                                                 
CONECT    9   11   12   13   10                                       
CONECT    9    8                                                      
CONECT   10    8   12   15   18                                       
CONECT   10    9                                                      
CONECT   11    9   12   13   16                                       
CONECT   11   19                                                      
CONECT   12    9   10   11   18                                       
CONECT   12   16                                                      
CONECT   13    9   11   19   14                                       
CONECT   13    8                                                      
CONECT   14    8   15   17   19                                       
CONECT   14   13                                                      
CONECT   15    8   10   14   17                                       
CONECT   15   18                                                      
CONECT   16   17   18   11   19                                       
CONECT   16   12                                                      
CONECT   17   14   15   16   19                                       
CONECT   17   18                                                      
CONECT   18   10   15   16   12                                       
CONECT   18   17                                                      
CONECT   19   13   14   17   20                                       
CONECT   19   16   11                                                 
CONECT   20   19   21   35   36                                       
CONECT   21   20   22   37   38                                       
CONECT   22   21   23   39   40                                       
CONECT   23   22   24   24   25                                       
CONECT   23   25   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   41   42                                            
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
