COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -0.915   2.553   0.445  1.00  0.00           S  
HETATM    2  C   UNL     1      -2.454   1.620   0.689  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.549   0.527  -0.379  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.406  -0.470  -0.207  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.073   0.169  -0.584  1.00  0.00           C  
HETATM    6  C   UNL     1       0.317   1.219   0.459  1.00  0.00           C  
HETATM    7  C   UNL     1       1.008  -0.911  -0.647  1.00  0.00           C  
HETATM    8  C   UNL     1       2.297  -0.304  -1.138  1.00  0.00           C  
HETATM    9  C   UNL     1       3.201   0.222  -0.233  1.00  0.00           C  
HETATM   10  C   UNL     1       4.383   0.780  -0.680  1.00  0.00           C  
HETATM   11  C   UNL     1       4.663   0.811  -2.039  1.00  0.00           C  
HETATM   12  C   UNL     1       3.755   0.282  -2.944  1.00  0.00           C  
HETATM   13  C   UNL     1       2.577  -0.279  -2.491  1.00  0.00           C  
HETATM   14  O   UNL     1       5.825   1.359  -2.481  1.00  0.00           O  
HETATM   15  C   UNL     1       5.367   1.354   0.306  1.00  0.00           C  
HETATM   16  C   UNL     1       6.573   0.421   0.425  1.00  0.00           C  
HETATM   17  N   UNL     1       6.179  -0.857   1.038  1.00  0.00           N  
HETATM   18  C   UNL     1       6.857  -1.016   2.184  1.00  0.00           C  
HETATM   19  O   UNL     1       7.688  -0.006   2.465  1.00  0.00           O  
HETATM   20  C   UNL     1       7.610   0.999   1.408  1.00  0.00           C  
HETATM   21  O   UNL     1       6.727  -1.988   2.901  1.00  0.00           O  
HETATM   22  C   UNL     1       5.205  -1.802   0.487  1.00  0.00           C  
HETATM   23  C   UNL     1       5.939  -2.895  -0.292  1.00  0.00           C  
HETATM   24  C   UNL     1       4.921  -3.882  -0.868  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.640  -1.603  -1.046  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.832  -0.175  -0.246  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.918   0.590  -0.875  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.216  -0.159  -0.719  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.013   0.062   0.388  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.204  -0.626   0.531  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.597  -1.534  -0.433  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.800  -1.755  -1.541  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.612  -1.064  -1.687  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.073  -0.385   1.738  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.443   0.125   1.288  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.245  -1.694   2.512  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.701   3.382   1.579  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.937   3.139  -0.850  1.00  0.00           O  
HETATM   39  H   UNL     1      -2.451   1.163   1.678  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.307   2.293   0.600  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.487   0.981  -1.368  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.367  -0.796   0.832  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.163   0.646  -1.561  1.00  0.00           H  
HETATM   44  H   UNL     1       1.299   1.626   0.216  1.00  0.00           H  
HETATM   45  H   UNL     1       0.345   0.759   1.446  1.00  0.00           H  
HETATM   46  H   UNL     1       1.160  -1.331   0.347  1.00  0.00           H  
HETATM   47  H   UNL     1       0.695  -1.700  -1.331  1.00  0.00           H  
HETATM   48  H   UNL     1       2.982   0.198   0.825  1.00  0.00           H  
HETATM   49  H   UNL     1       3.971   0.306  -4.002  1.00  0.00           H  
HETATM   50  H   UNL     1       1.871  -0.695  -3.196  1.00  0.00           H  
HETATM   51  H   UNL     1       6.557   0.731  -2.546  1.00  0.00           H  
HETATM   52  H   UNL     1       5.698   2.333  -0.039  1.00  0.00           H  
HETATM   53  H   UNL     1       4.888   1.455   1.280  1.00  0.00           H  
HETATM   54  H   UNL     1       7.024   0.253  -0.553  1.00  0.00           H  
HETATM   55  H   UNL     1       8.578   1.117   0.921  1.00  0.00           H  
HETATM   56  H   UNL     1       7.265   1.951   1.811  1.00  0.00           H  
HETATM   57  H   UNL     1       4.637  -2.254   1.300  1.00  0.00           H  
HETATM   58  H   UNL     1       4.524  -1.274  -0.181  1.00  0.00           H  
HETATM   59  H   UNL     1       6.506  -2.443  -1.106  1.00  0.00           H  
HETATM   60  H   UNL     1       6.619  -3.423   0.376  1.00  0.00           H  
HETATM   61  H   UNL     1       4.240  -3.353  -1.536  1.00  0.00           H  
HETATM   62  H   UNL     1       5.444  -4.660  -1.423  1.00  0.00           H  
HETATM   63  H   UNL     1       4.353  -4.334  -0.055  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.620  -1.402  -1.992  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.777  -1.106  -0.631  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.001   1.565  -0.395  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.701   0.725  -1.935  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.706   0.772   1.141  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.527  -2.072  -0.321  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.108  -2.465  -2.295  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.990  -1.236  -2.552  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.602   0.358   2.382  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.071   0.299   2.161  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.320   1.058   0.737  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.913  -0.618   0.644  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.269  -2.057   2.833  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.873  -1.520   3.385  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.715  -2.437   1.868  1.00  0.00           H  
CONECT    1   38   38    2   37                                       
CONECT    1   37    6                                                 
CONECT    2    1    3   39   40                                       
CONECT    3    2   26    4   41                                       
CONECT    4    3   25    5   42                                       
CONECT    5    4    6    7   43                                       
CONECT    6    1    5   44   45                                       
CONECT    7    5    8   46   47                                       
CONECT    8    7   13   13    9                                       
CONECT    9    8   10   10   48                                       
CONECT   10    9    9   11   15                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   49                                       
CONECT   13    8    8   12   50                                       
CONECT   14   11   51                                                 
CONECT   15   10   16   52   53                                       
CONECT   16   15   20   17   54                                       
CONECT   17   16   18   22                                            
CONECT   18   17   19   21   21                                       
CONECT   19   18   20                                                 
CONECT   20   16   19   55   56                                       
CONECT   21   18   18                                                 
CONECT   22   17   23   57   58                                       
CONECT   23   22   24   59   60                                       
CONECT   24   23   61   62   63                                       
CONECT   25    4   64                                                 
CONECT   26    3   27   65                                            
CONECT   27   26   28   66   67                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30   68                                       
CONECT   30   29   34   31   31                                       
CONECT   31   30   30   32   69                                       
CONECT   32   31   33   33   70                                       
CONECT   33   28   32   32   71                                       
CONECT   34   30   36   35   72                                       
CONECT   35   34   73   74   75                                       
CONECT   36   34   76   77   78                                       
CONECT   37    1    1                                                 
CONECT   38    1    1                                                 
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
