COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.095   0.012   2.387  1.00  0.00           O  
HETATM    2  S   UNL     1       5.770  -0.204   1.040  1.00  0.00           S  
HETATM    3  O   UNL     1       6.495   0.985   0.760  1.00  0.00           O  
HETATM    4  O   UNL     1       6.375  -1.489   1.096  1.00  0.00           O  
HETATM    5  C   UNL     1       4.495  -0.307  -0.171  1.00  0.00           C  
HETATM    6  C   UNL     1       4.055   0.840  -0.805  1.00  0.00           C  
HETATM    7  C   UNL     1       3.058   0.761  -1.758  1.00  0.00           C  
HETATM    8  C   UNL     1       2.490  -0.468  -2.067  1.00  0.00           C  
HETATM    9  O   UNL     1       1.499  -0.547  -2.993  1.00  0.00           O  
HETATM   10  C   UNL     1       2.590   2.003  -2.468  1.00  0.00           C  
HETATM   11  C   UNL     1       1.350   2.539  -1.796  1.00  0.00           C  
HETATM   12  C   UNL     1       1.463   3.300  -0.652  1.00  0.00           C  
HETATM   13  C   UNL     1       0.314   3.791  -0.032  1.00  0.00           C  
HETATM   14  C   UNL     1       0.429   4.613   1.197  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.717   5.105   1.820  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.604   5.869   2.963  1.00  0.00           C  
HETATM   17  C   UNL     1       0.644   6.148   3.492  1.00  0.00           C  
HETATM   18  C   UNL     1       1.785   5.662   2.878  1.00  0.00           C  
HETATM   19  C   UNL     1       1.683   4.892   1.738  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.943   3.510  -0.567  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.045   2.755  -1.719  1.00  0.00           C  
HETATM   22  C   UNL     1       0.101   2.269  -2.333  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.003   1.525  -3.466  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.396   2.465  -2.313  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.997   1.239  -1.677  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.554  -0.022  -2.046  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.569  -0.154  -2.973  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.996   1.372  -0.733  1.00  0.00           C  
HETATM   29  C   UNL     1       3.943  -1.533  -0.486  1.00  0.00           C  
HETATM   30  C   UNL     1       2.939  -1.615  -1.428  1.00  0.00           C  
HETATM   31  C   UNL     1       2.341  -2.952  -1.781  1.00  0.00           C  
HETATM   32  C   UNL     1       1.010  -3.114  -1.094  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.155  -2.745  -1.749  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.096  -2.227  -3.004  1.00  0.00           O  
HETATM   35  C   UNL     1       0.948  -3.630   0.187  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.277  -3.781   0.812  1.00  0.00           C  
HETATM   37  S   UNL     1      -0.354  -4.440   2.444  1.00  0.00           S  
HETATM   38  O   UNL     1      -0.260  -3.266   3.409  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.659  -4.982   2.597  1.00  0.00           O  
HETATM   40  O   UNL     1       0.831  -5.204   2.625  1.00  0.00           O  
HETATM   41  C   UNL     1      -1.441  -3.416   0.160  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.383  -2.906  -1.122  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.649  -2.543  -1.854  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.118  -1.150  -1.467  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.112  -0.994  -0.520  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.555   0.247  -0.157  1.00  0.00           C  
HETATM   47  S   UNL     1      -5.823   0.406   1.056  1.00  0.00           S  
HETATM   48  O   UNL     1      -6.440   1.666   0.828  1.00  0.00           O  
HETATM   49  O   UNL     1      -6.538  -0.822   1.052  1.00  0.00           O  
HETATM   50  O   UNL     1      -5.139   0.501   2.412  1.00  0.00           O  
HETATM   51  H   UNL     1       4.490   1.796  -0.556  1.00  0.00           H  
HETATM   52  H   UNL     1       1.814  -0.688  -3.896  1.00  0.00           H  
HETATM   53  H   UNL     1       3.375   2.758  -2.434  1.00  0.00           H  
HETATM   54  H   UNL     1       2.364   1.763  -3.507  1.00  0.00           H  
HETATM   55  H   UNL     1       2.437   3.517  -0.238  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.691   4.889   1.407  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.491   6.251   3.446  1.00  0.00           H  
HETATM   58  H   UNL     1       0.728   6.746   4.387  1.00  0.00           H  
HETATM   59  H   UNL     1       2.756   5.882   3.296  1.00  0.00           H  
HETATM   60  H   UNL     1       2.574   4.509   1.262  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.833   3.881  -0.082  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.058   2.049  -4.277  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.055   3.317  -2.146  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.290   2.296  -3.385  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.684  -0.247  -2.596  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.341   2.354  -0.445  1.00  0.00           H  
HETATM   67  H   UNL     1       4.295  -2.427   0.007  1.00  0.00           H  
HETATM   68  H   UNL     1       2.200  -3.013  -2.861  1.00  0.00           H  
HETATM   69  H   UNL     1       3.014  -3.747  -1.459  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.145  -2.891  -3.706  1.00  0.00           H  
HETATM   71  H   UNL     1       1.855  -3.915   0.699  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.395  -3.531   0.653  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.459  -2.547  -2.927  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.421  -3.276  -1.624  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.549  -1.862  -0.047  1.00  0.00           H  
HETATM   76  H   UNL     1       5.712   0.083   3.129  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.293  -3.520   4.341  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.751   0.592   3.156  1.00  0.00           H  
CONECT    1    2   76                                                 
CONECT    2    3    3    5    4                                       
CONECT    2    4    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5   29    2    6    6                                       
CONECT    6    5    5    7   51                                       
CONECT    7    8    8    6   10                                       
CONECT    8   30    9    7    7                                       
CONECT    9    8   52                                                 
CONECT   10    7   11   53   54                                       
CONECT   11   10   22   22   12                                       
CONECT   12   11   13   13   55                                       
CONECT   13   12   12   20   14                                       
CONECT   14   13   19   19   15                                       
CONECT   15   14   16   16   56                                       
CONECT   16   15   15   17   57                                       
CONECT   17   18   18   16   58                                       
CONECT   18   19   17   17   59                                       
CONECT   19   14   14   18   60                                       
CONECT   20   21   21   13   61                                       
CONECT   21   22   24   20   20                                       
CONECT   22   23   11   11   21                                       
CONECT   23   22   62                                                 
CONECT   24   21   25   63   64                                       
CONECT   25   26   24   28   28                                       
CONECT   26   27   44   44   25                                       
CONECT   27   26   65                                                 
CONECT   28   25   25   46   66                                       
CONECT   29   30   30    5   67                                       
CONECT   30   31   29   29    8                                       
CONECT   31   30   32   68   69                                       
CONECT   32   31   35   35   33                                       
CONECT   33   32   34   42   42                                       
CONECT   34   33   70                                                 
CONECT   35   32   32   36   71                                       
CONECT   36   35   37   41   41                                       
CONECT   37   40   40   36   39                                       
CONECT   37   39   38                                                 
CONECT   38   37   77                                                 
CONECT   39   37   37                                                 
CONECT   40   37   37                                                 
CONECT   41   36   36   42   72                                       
CONECT   42   33   33   41   43                                       
CONECT   43   42   44   73   74                                       
CONECT   44   43   26   26   45                                       
CONECT   45   44   46   46   75                                       
CONECT   46   45   45   28   47                                       
CONECT   47   46   48   48   49                                       
CONECT   47   49   50                                                 
CONECT   48   47   47                                                 
CONECT   49   47   47                                                 
CONECT   50   47   78                                                 
CONECT   51    6                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   41                                                      
CONECT   73   43                                                      
CONECT   74   43                                                      
CONECT   75   45                                                      
CONECT   76    1                                                      
CONECT   77   38                                                      
CONECT   78   50                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
