COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.854   5.002  -0.588  1.00  0.00           O  
HETATM    2  S   UNL     1      -1.104   3.993   0.381  1.00  0.00           S  
HETATM    3  O   UNL     1      -1.703   4.257   1.642  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.055   2.858  -0.360  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.434   1.753   0.312  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.078   1.590   1.460  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.299   0.720  -0.363  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.582  -0.424   0.613  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.326  -1.118   0.931  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.546  -1.396  -0.019  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.885  -1.347   0.309  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.777  -2.247  -0.277  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.169  -2.202   0.058  1.00  0.00           C  
HETATM   14  N   UNL     1      -9.273  -2.166   0.324  1.00  0.00           N  
HETATM   15  C   UNL     1      -6.306  -3.192  -1.191  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.964  -3.229  -1.510  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.087  -2.330  -0.929  1.00  0.00           C  
HETATM   18  O   UNL     1       0.238   3.336   0.672  1.00  0.00           O  
HETATM   19  C   UNL     1       1.068   3.173  -0.480  1.00  0.00           C  
HETATM   20  C   UNL     1       2.383   2.506  -0.072  1.00  0.00           C  
HETATM   21  C   UNL     1       3.346   2.434  -1.278  1.00  0.00           C  
HETATM   22  O   UNL     1       4.292   3.503  -1.227  1.00  0.00           O  
HETATM   23  C   UNL     1       4.058   1.073  -1.108  1.00  0.00           C  
HETATM   24  O   UNL     1       5.466   1.260  -0.951  1.00  0.00           O  
HETATM   25  C   UNL     1       3.440   0.484   0.180  1.00  0.00           C  
HETATM   26  O   UNL     1       2.154   1.130   0.301  1.00  0.00           O  
HETATM   27  N   UNL     1       3.273  -0.965   0.049  1.00  0.00           N  
HETATM   28  C   UNL     1       4.205  -1.922   0.363  1.00  0.00           C  
HETATM   29  N   UNL     1       5.444  -1.903   0.841  1.00  0.00           N  
HETATM   30  C   UNL     1       6.103  -3.025   1.043  1.00  0.00           C  
HETATM   31  N   UNL     1       5.579  -4.210   0.788  1.00  0.00           N  
HETATM   32  C   UNL     1       4.346  -4.328   0.308  1.00  0.00           C  
HETATM   33  N   UNL     1       3.806  -5.575   0.043  1.00  0.00           N  
HETATM   34  C   UNL     1       3.602  -3.159   0.076  1.00  0.00           C  
HETATM   35  N   UNL     1       2.358  -2.898  -0.391  1.00  0.00           N  
HETATM   36  C   UNL     1       2.161  -1.611  -0.403  1.00  0.00           C  
HETATM   37  H   UNL     1      -2.339   2.988  -1.278  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.240   1.178  -0.668  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.783   0.331  -1.240  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.017  -0.023   1.528  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.903  -1.499   0.099  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.687  -0.504   1.414  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.243  -0.614   1.017  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.990  -3.891  -1.648  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.599  -3.959  -2.217  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.038  -2.361  -1.186  1.00  0.00           H  
HETATM   47  H   UNL     1       0.555   2.548  -1.212  1.00  0.00           H  
HETATM   48  H   UNL     1       1.276   4.149  -0.919  1.00  0.00           H  
HETATM   49  H   UNL     1       2.845   3.052   0.751  1.00  0.00           H  
HETATM   50  H   UNL     1       2.789   2.462  -2.214  1.00  0.00           H  
HETATM   51  H   UNL     1       4.922   3.506  -1.961  1.00  0.00           H  
HETATM   52  H   UNL     1       3.852   0.426  -1.961  1.00  0.00           H  
HETATM   53  H   UNL     1       5.893   1.682  -1.709  1.00  0.00           H  
HETATM   54  H   UNL     1       4.065   0.718   1.042  1.00  0.00           H  
HETATM   55  H   UNL     1       7.109  -2.974   1.433  1.00  0.00           H  
HETATM   56  H   UNL     1       4.329  -6.375   0.207  1.00  0.00           H  
HETATM   57  H   UNL     1       2.904  -5.648  -0.307  1.00  0.00           H  
HETATM   58  H   UNL     1       1.250  -1.127  -0.725  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   18    3    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    2    2                                                 
CONECT    4    5    2   37                                            
CONECT    5    6    6    7    4                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   38   39                                       
CONECT    8    7   10    9   40                                       
CONECT    9    8   41   42                                            
CONECT   10   11    8   17   17                                       
CONECT   11   12   12   10   43                                       
CONECT   12   13   11   11   15                                       
CONECT   13   14   14   14   12                                       
CONECT   14   13   13   13                                            
CONECT   15   12   16   16   44                                       
CONECT   16   15   15   17   45                                       
CONECT   17   10   10   16   46                                       
CONECT   18   19    2                                                 
CONECT   19   20   18   47   48                                       
CONECT   20   26   21   19   49                                       
CONECT   21   23   20   22   50                                       
CONECT   22   21   51                                                 
CONECT   23   25   24   21   52                                       
CONECT   24   23   53                                                 
CONECT   25   27   26   23   54                                       
CONECT   26   25   20                                                 
CONECT   27   28   25   36                                            
CONECT   28   29   29   34   27                                       
CONECT   29   30   28   28                                            
CONECT   30   31   31   29   55                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   34   34                                       
CONECT   33   32   56   57                                            
CONECT   34   32   32   28   35                                       
CONECT   35   34   36   36                                            
CONECT   36   27   35   35   58                                       
CONECT   37    4                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   30                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   36                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
