COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.166   0.139  -4.445  1.00  0.00           C  
HETATM    2  C   UNL     1       0.780  -0.241  -5.378  1.00  0.00           C  
HETATM    3  C   UNL     1       2.034   0.338  -5.365  1.00  0.00           C  
HETATM    4  C   UNL     1       2.342   1.300  -4.421  1.00  0.00           C  
HETATM    5  C   UNL     1       1.394   1.684  -3.491  1.00  0.00           C  
HETATM    6  C   UNL     1       0.141   1.099  -3.500  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.891   1.514  -2.484  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.773   0.625  -1.245  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.829   1.046  -0.198  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.741   0.166   0.964  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.067   0.167   1.596  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.103  -0.262   0.590  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.426  -0.376   0.816  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.994  -0.790  -0.357  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.998  -0.913  -1.261  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.871  -0.591  -0.688  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.840   0.647   1.919  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.155   0.275   3.240  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.313   0.564   4.281  1.00  0.00           C  
HETATM   20  C   UNL     1       0.884   1.245   4.043  1.00  0.00           C  
HETATM   21  C   UNL     1       1.783   1.531   5.120  1.00  0.00           C  
HETATM   22  N   UNL     1       2.497   1.758   5.974  1.00  0.00           N  
HETATM   23  C   UNL     1       1.189   1.642   2.740  1.00  0.00           C  
HETATM   24  C   UNL     1       0.325   1.361   1.701  1.00  0.00           C  
HETATM   25  C   UNL     1       0.686   1.861   0.330  1.00  0.00           C  
HETATM   26  N   UNL     1       0.534   0.779  -0.647  1.00  0.00           N  
HETATM   27  S   UNL     1       1.797  -0.212  -1.052  1.00  0.00           S  
HETATM   28  O   UNL     1       1.478  -0.741  -2.332  1.00  0.00           O  
HETATM   29  O   UNL     1       2.976   0.515  -0.734  1.00  0.00           O  
HETATM   30  C   UNL     1       1.767  -1.582   0.053  1.00  0.00           C  
HETATM   31  C   UNL     1       1.123  -2.768  -0.074  1.00  0.00           C  
HETATM   32  C   UNL     1       1.247  -3.710   0.930  1.00  0.00           C  
HETATM   33  C   UNL     1       1.999  -3.415   2.018  1.00  0.00           C  
HETATM   34  S   UNL     1       2.570  -1.767   1.637  1.00  0.00           S  
HETATM   35  H   UNL     1      -1.146  -0.314  -4.455  1.00  0.00           H  
HETATM   36  H   UNL     1       0.540  -0.992  -6.115  1.00  0.00           H  
HETATM   37  H   UNL     1       2.774   0.040  -6.093  1.00  0.00           H  
HETATM   38  H   UNL     1       3.322   1.753  -4.411  1.00  0.00           H  
HETATM   39  H   UNL     1       1.634   2.435  -2.753  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.887   1.409  -2.913  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.725   2.554  -2.202  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.926  -0.417  -1.524  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.824   0.970  -0.636  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.643   2.075   0.108  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.068  -0.525   2.438  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.299   1.171   1.951  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.939  -0.180   1.746  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.936  -0.962  -0.512  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.116  -1.224  -2.289  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.078  -0.249   3.436  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.575   0.266   5.285  1.00  0.00           H  
HETATM   52  H   UNL     1       2.109   2.173   2.544  1.00  0.00           H  
HETATM   53  H   UNL     1       1.720   2.206   0.330  1.00  0.00           H  
HETATM   54  H   UNL     1       0.029   2.688   0.061  1.00  0.00           H  
HETATM   55  H   UNL     1       0.529  -2.978  -0.951  1.00  0.00           H  
HETATM   56  H   UNL     1       0.748  -4.664   0.851  1.00  0.00           H  
HETATM   57  H   UNL     1       2.201  -4.020   2.890  1.00  0.00           H  
CONECT    1    2    2    6   35                                       
CONECT    2    1    1    3   36                                       
CONECT    3    2    4    4   37                                       
CONECT    4    3    3    5   38                                       
CONECT    5    4    6    6   39                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8   40   41                                       
CONECT    8    7    9   26   42                                       
CONECT    9    8   10   43   44                                       
CONECT   10    9   11   17                                            
CONECT   11   10   12   45   46                                       
CONECT   12   11   13   13   16                                       
CONECT   13   12   12   14   47                                       
CONECT   14   13   15   48                                            
CONECT   15   14   16   16   49                                       
CONECT   16   12   15   15                                            
CONECT   17   10   18   18   24                                       
CONECT   18   17   17   19   50                                       
CONECT   19   18   20   20   51                                       
CONECT   20   19   19   21   23                                       
CONECT   21   20   22   22   22                                       
CONECT   22   21   21   21                                            
CONECT   23   20   24   24   52                                       
CONECT   24   17   23   23   25                                       
CONECT   25   24   26   53   54                                       
CONECT   26    8   25   27                                            
CONECT   27   26   28   28   29                                       
CONECT   27   29   30                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   31   31   34                                       
CONECT   31   30   30   32   55                                       
CONECT   32   31   33   33   56                                       
CONECT   33   32   32   34   57                                       
CONECT   34   30   33                                                 
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
