COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.685  -0.532   1.299  1.00  0.00           O  
HETATM    2  O   UNL     1       7.262  -0.420  -1.130  1.00  0.00           O  
HETATM    3  S   UNL     1       6.342  -0.656  -0.074  1.00  0.00           S  
HETATM    4  C   UNL     1       5.748  -2.301  -0.291  1.00  0.00           C  
HETATM    5  C   UNL     1       5.791  -2.893  -1.540  1.00  0.00           C  
HETATM    6  C   UNL     1       5.324  -4.183  -1.710  1.00  0.00           C  
HETATM    7  C   UNL     1       4.814  -4.881  -0.632  1.00  0.00           C  
HETATM    8  C   UNL     1       4.771  -4.290   0.617  1.00  0.00           C  
HETATM    9  C   UNL     1       5.243  -3.002   0.789  1.00  0.00           C  
HETATM   10  N   UNL     1       5.063   0.364  -0.331  1.00  0.00           N  
HETATM   11  C   UNL     1       4.007   0.345   0.506  1.00  0.00           C  
HETATM   12  O   UNL     1       3.992  -0.423   1.449  1.00  0.00           O  
HETATM   13  C   UNL     1       2.867   1.255   0.277  1.00  0.00           C  
HETATM   14  C   UNL     1       1.774   1.240   1.146  1.00  0.00           C  
HETATM   15  C   UNL     1       0.713   2.091   0.930  1.00  0.00           C  
HETATM   16  C   UNL     1       0.729   2.963  -0.152  1.00  0.00           C  
HETATM   17  C   UNL     1       1.815   2.981  -1.019  1.00  0.00           C  
HETATM   18  C   UNL     1       2.882   2.137  -0.806  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.319   3.800  -0.362  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.237   4.671  -1.492  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.500   5.532  -1.565  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.412   6.464  -2.775  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.468   2.075   1.866  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.556   1.297   1.268  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.719   1.146   1.931  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.866   1.655   3.025  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.817   0.361   1.327  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.647  -0.228   0.073  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.668  -0.964  -0.486  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.872  -1.120   0.200  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.044  -0.532   1.453  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.023   0.204   2.014  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.972  -1.912  -0.404  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.791  -2.469  -1.593  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.749  -3.185  -2.157  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.953  -3.350  -1.488  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.108  -2.754  -0.245  1.00  0.00           C  
HETATM   38  N   UNL     1      -8.111  -2.050   0.262  1.00  0.00           N  
HETATM   39  H   UNL     1       6.189  -2.347  -2.382  1.00  0.00           H  
HETATM   40  H   UNL     1       5.358  -4.645  -2.686  1.00  0.00           H  
HETATM   41  H   UNL     1       4.450  -5.889  -0.765  1.00  0.00           H  
HETATM   42  H   UNL     1       4.372  -4.835   1.459  1.00  0.00           H  
HETATM   43  H   UNL     1       5.209  -2.540   1.764  1.00  0.00           H  
HETATM   44  H   UNL     1       5.075   0.976  -1.083  1.00  0.00           H  
HETATM   45  H   UNL     1       1.760   0.562   1.987  1.00  0.00           H  
HETATM   46  H   UNL     1       1.824   3.661  -1.859  1.00  0.00           H  
HETATM   47  H   UNL     1       3.728   2.155  -1.478  1.00  0.00           H  
HETATM   48  H   UNL     1       0.637   5.315  -1.392  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.149   4.077  -2.402  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.373   4.888  -1.665  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.588   6.125  -0.655  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.312   7.077  -2.827  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.538   7.108  -2.675  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.324   5.871  -3.685  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.175   1.621   2.813  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.805   3.096   2.042  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.439   0.891   0.395  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.715  -0.107  -0.459  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.537  -1.420  -1.457  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.976  -0.653   1.983  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.154   0.655   2.986  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.596  -3.636  -3.126  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.752  -3.930  -1.925  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.033  -2.863   0.302  1.00  0.00           H  
CONECT    1    3    3                                                 
CONECT    2    3    3                                                 
CONECT    3    4   10    1    1                                       
CONECT    3    2    2                                                 
CONECT    4    9    9    5    3                                       
CONECT    5    6    6    4   39                                       
CONECT    6    7    5    5   40                                       
CONECT    7    8    8    6   41                                       
CONECT    8    7    7    9   42                                       
CONECT    9    8    4    4   43                                       
CONECT   10    3   11   44                                            
CONECT   11   10   13   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14   14   11   18                                       
CONECT   14   15   13   13   45                                       
CONECT   15   23   14   16   16                                       
CONECT   16   15   15   19   17                                       
CONECT   17   16   18   18   46                                       
CONECT   18   13   17   17   47                                       
CONECT   19   16   20                                                 
CONECT   20   19   21   48   49                                       
CONECT   21   20   22   50   51                                       
CONECT   22   21   52   53   54                                       
CONECT   23   24   15   55   56                                       
CONECT   24   25   23   57                                            
CONECT   25   27   26   26   24                                       
CONECT   26   25   25                                                 
CONECT   27   28   28   32   25                                       
CONECT   28   29   27   27   58                                       
CONECT   29   30   30   28   59                                       
CONECT   30   33   29   29   31                                       
CONECT   31   30   32   32   60                                       
CONECT   32   31   31   27   61                                       
CONECT   33   34   34   38   30                                       
CONECT   34   35   33   33                                            
CONECT   35   36   36   34   62                                       
CONECT   36   35   35   37   63                                       
CONECT   37   36   38   38   64                                       
CONECT   38   37   37   33                                            
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
