COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1      -1.807  -0.503  -1.996  1.00  0.00           O  
HETATM    2  S   UNL     1       7.003   2.749  -0.514  1.00  0.00           S  
HETATM    3  C   UNL     1      -1.513  -0.192  -0.861  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.080   0.119  -0.512  1.00  0.00           C  
HETATM    5  C   UNL     1       0.793  -0.031  -1.759  1.00  0.00           C  
HETATM    6  C   UNL     1       3.065  -0.733  -0.981  1.00  0.00           C  
HETATM    7  C   UNL     1       4.005   1.868  -1.201  1.00  0.00           C  
HETATM    8  C   UNL     1       4.858   0.851  -0.767  1.00  0.00           C  
HETATM    9  C   UNL     1       4.378  -0.455  -0.660  1.00  0.00           C  
HETATM   10  C   UNL     1       6.264   1.156  -0.425  1.00  0.00           C  
HETATM   11  C   UNL     1       7.168   0.257   0.001  1.00  0.00           C  
HETATM   12  C   UNL     1       8.429   0.780   0.260  1.00  0.00           C  
HETATM   13  C   UNL     1       9.560  -0.053   0.738  1.00  0.00           C  
HETATM   14  C   UNL     1      10.803   0.529   0.982  1.00  0.00           C  
HETATM   15  C   UNL     1      11.851  -0.251   1.427  1.00  0.00           C  
HETATM   16  C   UNL     1      11.670  -1.607   1.632  1.00  0.00           C  
HETATM   17  C   UNL     1      10.438  -2.189   1.391  1.00  0.00           C  
HETATM   18  C   UNL     1       9.382  -1.418   0.951  1.00  0.00           C  
HETATM   19  C   UNL     1       2.225   0.280  -1.410  1.00  0.00           C  
HETATM   20  C   UNL     1       2.695   1.577  -1.519  1.00  0.00           C  
HETATM   21  C   UNL     1       8.542   2.106   0.043  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.468  -0.124   0.088  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.861  -0.427  -0.252  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.778   0.275   0.716  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.313   0.961   1.603  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.090  -1.937  -0.168  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.251  -2.641  -1.236  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.477  -4.128  -1.153  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.231  -4.580  -0.324  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.839  -4.952  -2.000  1.00  0.00           O  
HETATM   31  N   UNL     1      -6.113   0.142   0.597  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.005   0.824   1.538  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.175  -0.023   2.773  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.612  -1.094   2.856  1.00  0.00           O  
HETATM   35  C   UNL     1      -8.368   1.046   0.880  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.213   2.007  -0.301  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.556   2.226  -0.949  1.00  0.00           C  
HETATM   38  O   UNL     1     -10.536   1.671  -0.512  1.00  0.00           O  
HETATM   39  O   UNL     1      -9.663   3.038  -2.013  1.00  0.00           O  
HETATM   40  N   UNL     1      -7.958   0.407   3.782  1.00  0.00           N  
HETATM   41  H   UNL     1      -0.011   1.141  -0.140  1.00  0.00           H  
HETATM   42  H   UNL     1       0.264  -0.572   0.258  1.00  0.00           H  
HETATM   43  H   UNL     1       0.723  -1.054  -2.130  1.00  0.00           H  
HETATM   44  H   UNL     1       0.449   0.659  -2.529  1.00  0.00           H  
HETATM   45  H   UNL     1       2.694  -1.744  -0.903  1.00  0.00           H  
HETATM   46  H   UNL     1       4.371   2.881  -1.286  1.00  0.00           H  
HETATM   47  H   UNL     1       5.032  -1.246  -0.325  1.00  0.00           H  
HETATM   48  H   UNL     1       6.933  -0.789   0.131  1.00  0.00           H  
HETATM   49  H   UNL     1      10.945   1.587   0.823  1.00  0.00           H  
HETATM   50  H   UNL     1      12.815   0.199   1.616  1.00  0.00           H  
HETATM   51  H   UNL     1      12.493  -2.213   1.980  1.00  0.00           H  
HETATM   52  H   UNL     1      10.302  -3.249   1.552  1.00  0.00           H  
HETATM   53  H   UNL     1       8.419  -1.873   0.768  1.00  0.00           H  
HETATM   54  H   UNL     1       2.034   2.362  -1.854  1.00  0.00           H  
HETATM   55  H   UNL     1       9.441   2.685   0.189  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.233   0.124   0.995  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.070  -0.083  -1.265  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.796  -2.295   0.819  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.145  -2.154  -0.333  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.545  -2.283  -2.223  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.195  -2.424  -1.071  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.016  -5.899  -1.908  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.484  -0.407  -0.112  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.574   1.786   1.814  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.759   0.093   0.524  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.058   1.473   1.608  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.822   2.960   0.055  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.524   1.580  -1.029  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.545   3.147  -2.394  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.412   1.262   3.714  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.068  -0.138   4.577  1.00  0.00           H  
CONECT    1    3    3                                                 
CONECT    2   10   21                                                 
CONECT    3   22    1    1    4                                       
CONECT    4    3    5   41   42                                       
CONECT    5    4   19   43   44                                       
CONECT    6    9    9   19   45                                       
CONECT    7    8    8   20   46                                       
CONECT    8    7    7    9   10                                       
CONECT    9    6    6    8   47                                       
CONECT   10    2    8   11   11                                       
CONECT   11   10   10   12   48                                       
CONECT   12   11   13   21   21                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   49                                       
CONECT   15   14   16   16   50                                       
CONECT   16   15   15   17   51                                       
CONECT   17   16   18   18   52                                       
CONECT   18   13   17   17   53                                       
CONECT   19    5    6   20   20                                       
CONECT   20    7   19   19   54                                       
CONECT   21    2   12   12   55                                       
CONECT   22   23    3   56                                            
CONECT   23   22   24   26   57                                       
CONECT   24   31   25   25   23                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   58   59                                       
CONECT   27   26   28   60   61                                       
CONECT   28   30   27   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   28   62                                                 
CONECT   31   32   24   63                                            
CONECT   32   33   31   35   64                                       
CONECT   33   32   40   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   32   36   65   66                                       
CONECT   36   35   37   67   68                                       
CONECT   37   36   39   38   38                                       
CONECT   38   37   37                                                 
CONECT   39   37   69                                                 
CONECT   40   33   70   71                                            
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
CONECT   71   40                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
