COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.237  -1.013  -2.409  1.00  0.00           O  
HETATM    2  S   UNL     1      -2.051  -0.102  -1.683  1.00  0.00           S  
HETATM    3  N   UNL     1      -1.239   0.233  -0.279  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.637   1.379   0.542  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.266   0.887   1.820  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.641   0.782   1.918  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.218   0.331   3.090  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.420  -0.015   4.165  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.045   0.089   4.067  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.468   0.536   2.893  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.122  -0.617   0.142  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.575  -2.086   0.236  1.00  0.00           C  
HETATM   13  N   UNL     1       0.222  -2.849  -0.749  1.00  0.00           N  
HETATM   14  C   UNL     1       1.477  -2.078  -0.939  1.00  0.00           C  
HETATM   15  C   UNL     1       0.994  -0.606  -0.927  1.00  0.00           C  
HETATM   16  N   UNL     1       2.081   0.294  -0.533  1.00  0.00           N  
HETATM   17  S   UNL     1       2.906   0.026   0.878  1.00  0.00           S  
HETATM   18  O   UNL     1       2.111  -0.868   1.645  1.00  0.00           O  
HETATM   19  C   UNL     1       4.378  -0.849   0.463  1.00  0.00           C  
HETATM   20  C   UNL     1       5.496  -0.158   0.034  1.00  0.00           C  
HETATM   21  C   UNL     1       6.651  -0.844  -0.291  1.00  0.00           C  
HETATM   22  C   UNL     1       6.688  -2.222  -0.188  1.00  0.00           C  
HETATM   23  C   UNL     1       5.570  -2.914   0.241  1.00  0.00           C  
HETATM   24  C   UNL     1       4.417  -2.227   0.571  1.00  0.00           C  
HETATM   25  O   UNL     1       3.318   1.301   1.350  1.00  0.00           O  
HETATM   26  C   UNL     1       2.438   1.430  -1.386  1.00  0.00           C  
HETATM   27  C   UNL     1       1.488   2.571  -1.126  1.00  0.00           C  
HETATM   28  C   UNL     1       0.341   2.703  -1.886  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.530   3.749  -1.648  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.254   4.664  -0.648  1.00  0.00           C  
HETATM   31  C   UNL     1       0.892   4.532   0.113  1.00  0.00           C  
HETATM   32  C   UNL     1       1.761   3.483  -0.123  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.477   1.147  -2.208  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.512  -0.982  -1.243  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.533  -2.363  -1.304  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.679  -3.054  -0.958  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.806  -2.363  -0.551  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.785  -0.982  -0.490  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.637  -0.292  -0.831  1.00  0.00           C  
HETATM   40  H   UNL     1      -0.758   1.980   0.777  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.356   1.987  -0.007  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.264   1.053   1.078  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.292   0.250   3.167  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.871  -0.367   5.081  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.422  -0.181   4.906  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.394   0.614   2.815  1.00  0.00           H  
HETATM   47  H   UNL     1       0.268  -0.280   1.102  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.389  -2.469   1.239  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.635  -2.164  -0.004  1.00  0.00           H  
HETATM   50  H   UNL     1       0.418  -3.780  -0.413  1.00  0.00           H  
HETATM   51  H   UNL     1       2.170  -2.262  -0.118  1.00  0.00           H  
HETATM   52  H   UNL     1       1.939  -2.323  -1.896  1.00  0.00           H  
HETATM   53  H   UNL     1       0.593  -0.323  -1.901  1.00  0.00           H  
HETATM   54  H   UNL     1       5.467   0.919  -0.046  1.00  0.00           H  
HETATM   55  H   UNL     1       7.524  -0.304  -0.627  1.00  0.00           H  
HETATM   56  H   UNL     1       7.590  -2.759  -0.443  1.00  0.00           H  
HETATM   57  H   UNL     1       5.599  -3.990   0.321  1.00  0.00           H  
HETATM   58  H   UNL     1       3.545  -2.766   0.910  1.00  0.00           H  
HETATM   59  H   UNL     1       3.456   1.747  -1.162  1.00  0.00           H  
HETATM   60  H   UNL     1       2.371   1.134  -2.432  1.00  0.00           H  
HETATM   61  H   UNL     1       0.126   1.988  -2.667  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.425   3.853  -2.242  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.934   5.482  -0.462  1.00  0.00           H  
HETATM   64  H   UNL     1       1.108   5.247   0.893  1.00  0.00           H  
HETATM   65  H   UNL     1       2.655   3.377   0.474  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.652  -2.903  -1.621  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.695  -4.132  -1.006  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.702  -2.903  -0.282  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.665  -0.443  -0.172  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.620   0.786  -0.779  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   34   33                                       
CONECT    2   33    3                                                 
CONECT    3    2    4   11                                            
CONECT    4    3    5   40   41                                       
CONECT    5    4   10    6    6                                       
CONECT    6    5    5    7   42                                       
CONECT    7    6    8    8   43                                       
CONECT    8    7    7    9   44                                       
CONECT    9    8   10   10   45                                       
CONECT   10    5    9    9   46                                       
CONECT   11    3   12   15   47                                       
CONECT   12   11   13   48   49                                       
CONECT   13   12   14   50                                            
CONECT   14   13   15   51   52                                       
CONECT   15   11   14   16   53                                       
CONECT   16   15   26   17                                            
CONECT   17   16   18   18   19                                       
CONECT   17   25   25                                                 
CONECT   18   17   17                                                 
CONECT   19   17   20   24   24                                       
CONECT   20   19   21   21   54                                       
CONECT   21   20   20   22   55                                       
CONECT   22   21   23   23   56                                       
CONECT   23   22   22   24   57                                       
CONECT   24   19   19   23   58                                       
CONECT   25   17   17                                                 
CONECT   26   16   27   59   60                                       
CONECT   27   26   32   28   28                                       
CONECT   28   27   27   29   61                                       
CONECT   29   28   30   30   62                                       
CONECT   30   29   29   31   63                                       
CONECT   31   30   32   32   64                                       
CONECT   32   27   31   31   65                                       
CONECT   33    2    2                                                 
CONECT   34    2   39   35   35                                       
CONECT   35   34   34   36   66                                       
CONECT   36   35   37   37   67                                       
CONECT   37   36   36   38   68                                       
CONECT   38   37   39   39   69                                       
CONECT   39   34   38   38   70                                       
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
