COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.728  -0.914  -0.188  1.00  0.00           C  
HETATM    2  C   UNL     1       9.941  -1.950   0.284  1.00  0.00           C  
HETATM    3  C   UNL     1       8.569  -1.784   0.345  1.00  0.00           C  
HETATM    4  C   UNL     1       8.028  -0.563  -0.077  1.00  0.00           C  
HETATM    5  C   UNL     1       8.891   0.432  -0.540  1.00  0.00           C  
HETATM    6  N   UNL     1      10.192   0.228  -0.574  1.00  0.00           N  
HETATM    7  C   UNL     1       6.569  -0.334  -0.040  1.00  0.00           C  
HETATM    8  S   UNL     1       5.354  -1.483   0.514  1.00  0.00           S  
HETATM    9  C   UNL     1       4.116  -0.353   0.181  1.00  0.00           C  
HETATM   10  N   UNL     1       4.623   0.745  -0.292  1.00  0.00           N  
HETATM   11  C   UNL     1       5.933   0.793  -0.418  1.00  0.00           C  
HETATM   12  N   UNL     1       2.764  -0.576   0.385  1.00  0.00           N  
HETATM   13  C   UNL     1       1.850   0.454   0.180  1.00  0.00           C  
HETATM   14  N   UNL     1       2.265   1.610  -0.316  1.00  0.00           N  
HETATM   15  C   UNL     1       1.434   2.615  -0.528  1.00  0.00           C  
HETATM   16  C   UNL     1       0.093   2.498  -0.238  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.390   1.296   0.285  1.00  0.00           C  
HETATM   18  C   UNL     1       0.511   0.256   0.490  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.739   1.142   0.589  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.492   2.366   0.284  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.952   2.184   0.705  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.522   1.028  -0.002  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.769  -0.196   0.303  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.309  -0.013  -0.118  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.946   0.865   0.319  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.553  -0.163  -0.600  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.859  -0.479  -0.489  1.00  0.00           N  
HETATM   28  C   UNL     1      -8.474  -1.480  -1.375  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.230  -2.493  -0.508  1.00  0.00           C  
HETATM   30  O   UNL     1     -10.115  -1.794   0.370  1.00  0.00           O  
HETATM   31  C   UNL     1      -9.455  -0.927   1.297  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.710   0.162   0.526  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.867  -0.706  -1.440  1.00  0.00           O  
HETATM   34  H   UNL     1      11.799  -1.041  -0.236  1.00  0.00           H  
HETATM   35  H   UNL     1      10.393  -2.878   0.601  1.00  0.00           H  
HETATM   36  H   UNL     1       7.931  -2.576   0.708  1.00  0.00           H  
HETATM   37  H   UNL     1       8.489   1.378  -0.869  1.00  0.00           H  
HETATM   38  H   UNL     1       6.453   1.659  -0.801  1.00  0.00           H  
HETATM   39  H   UNL     1       2.454  -1.449   0.671  1.00  0.00           H  
HETATM   40  H   UNL     1       1.813   3.542  -0.933  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.578   3.326  -0.415  1.00  0.00           H  
HETATM   42  H   UNL     1       0.176  -0.688   0.894  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.058   3.205   0.829  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.444   2.565  -0.787  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.001   2.012   1.781  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.518   3.080   0.454  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.817  -0.395   1.374  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.203  -1.035  -0.242  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.260   0.158  -1.193  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.743  -0.910   0.134  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.050   0.535   1.352  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.459   1.818   0.188  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.169  -0.989  -2.056  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.699  -1.991  -1.946  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.806  -3.162  -1.148  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.518  -3.073   0.078  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.193  -0.469   1.955  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.745  -1.502   1.890  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.090   0.738   1.214  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.429   0.821   0.039  1.00  0.00           H  
CONECT    1    6    6    2   34                                       
CONECT    2    3    3    1   35                                       
CONECT    3    4    2    2   36                                       
CONECT    4    7    5    5    3                                       
CONECT    5    4    4    6   37                                       
CONECT    6    5    1    1                                            
CONECT    7   11   11    8    4                                       
CONECT    8    9    7                                                 
CONECT    9   12   10   10    8                                       
CONECT   10    9    9   11                                            
CONECT   11   10    7    7   38                                       
CONECT   12   13    9   39                                            
CONECT   13   18   12   14   14                                       
CONECT   14   13   13   15                                            
CONECT   15   16   16   14   40                                       
CONECT   16   17   15   15   41                                       
CONECT   17   19   18   18   16                                       
CONECT   18   17   17   13   42                                       
CONECT   19   24   20   17                                            
CONECT   20   19   21   43   44                                       
CONECT   21   22   20   45   46                                       
CONECT   22   23   25   21                                            
CONECT   23   24   22   47   48                                       
CONECT   24   23   19   49   50                                       
CONECT   25   26   22   51   52                                       
CONECT   26   33   33   27   25                                       
CONECT   27   26   28   32                                            
CONECT   28   27   29   53   54                                       
CONECT   29   28   30   55   56                                       
CONECT   30   29   31                                                 
CONECT   31   32   30   57   58                                       
CONECT   32   27   31   59   60                                       
CONECT   33   26   26                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
