COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.652  -2.540  -2.238  1.00  0.00           O  
HETATM    2  S   UNL     1       2.498  -2.579  -1.097  1.00  0.00           S  
HETATM    3  O   UNL     1       3.725  -3.295  -1.063  1.00  0.00           O  
HETATM    4  C   UNL     1       2.888  -0.905  -0.709  1.00  0.00           C  
HETATM    5  C   UNL     1       2.123   0.121  -1.233  1.00  0.00           C  
HETATM    6  C   UNL     1       2.424   1.434  -0.927  1.00  0.00           C  
HETATM    7  C   UNL     1       3.493   1.723  -0.091  1.00  0.00           C  
HETATM    8  O   UNL     1       3.791   3.013   0.212  1.00  0.00           O  
HETATM    9  C   UNL     1       4.905   3.236   1.078  1.00  0.00           C  
HETATM   10  C   UNL     1       5.084   4.739   1.303  1.00  0.00           C  
HETATM   11  C   UNL     1       4.258   0.691   0.434  1.00  0.00           C  
HETATM   12  C   UNL     1       3.954  -0.620   0.124  1.00  0.00           C  
HETATM   13  N   UNL     1       1.578  -3.169   0.148  1.00  0.00           N  
HETATM   14  C   UNL     1       0.271  -2.708   0.330  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.066  -2.020   1.475  1.00  0.00           C  
HETATM   16  C   UNL     1       0.982  -1.767   2.527  1.00  0.00           C  
HETATM   17  C   UNL     1       1.757  -0.523   2.176  1.00  0.00           C  
HETATM   18  O   UNL     1       1.486   0.095   1.175  1.00  0.00           O  
HETATM   19  C   UNL     1       2.871  -0.051   3.075  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.363  -1.554   1.671  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.707  -2.940  -0.660  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.397  -3.633  -1.840  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.365  -3.840  -2.775  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.663  -3.374  -2.578  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.000  -2.698  -1.445  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.027  -2.466  -0.459  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.342  -1.769   0.727  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.640  -1.296   0.940  1.00  0.00           N  
HETATM   29  S   UNL     1      -3.877   0.158   1.696  1.00  0.00           S  
HETATM   30  O   UNL     1      -5.272   0.423   1.628  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.157   0.097   2.919  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.088   1.391   0.715  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.764   1.714   0.945  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.141   2.676   0.174  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.847   3.318  -0.833  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.175   2.993  -1.063  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.793   2.030  -0.289  1.00  0.00           C  
HETATM   38  O   UNL     1      -1.237   4.266  -1.594  1.00  0.00           O  
HETATM   39  C   UNL     1      -2.024   4.886  -2.612  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.173   5.916  -3.357  1.00  0.00           C  
HETATM   41  H   UNL     1       1.291  -0.105  -1.883  1.00  0.00           H  
HETATM   42  H   UNL     1       1.827   2.235  -1.337  1.00  0.00           H  
HETATM   43  H   UNL     1       4.727   2.744   2.034  1.00  0.00           H  
HETATM   44  H   UNL     1       5.807   2.827   0.622  1.00  0.00           H  
HETATM   45  H   UNL     1       5.934   4.909   1.964  1.00  0.00           H  
HETATM   46  H   UNL     1       5.263   5.231   0.347  1.00  0.00           H  
HETATM   47  H   UNL     1       4.182   5.148   1.759  1.00  0.00           H  
HETATM   48  H   UNL     1       5.092   0.914   1.084  1.00  0.00           H  
HETATM   49  H   UNL     1       4.547  -1.423   0.536  1.00  0.00           H  
HETATM   50  H   UNL     1       1.946  -3.835   0.750  1.00  0.00           H  
HETATM   51  H   UNL     1       0.501  -1.634   3.496  1.00  0.00           H  
HETATM   52  H   UNL     1       1.662  -2.618   2.573  1.00  0.00           H  
HETATM   53  H   UNL     1       3.634  -0.825   3.146  1.00  0.00           H  
HETATM   54  H   UNL     1       3.311   0.857   2.661  1.00  0.00           H  
HETATM   55  H   UNL     1       2.472   0.159   4.068  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.605  -1.016   2.576  1.00  0.00           H  
HETATM   57  H   UNL     1       0.605  -4.000  -2.006  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.123  -4.373  -3.683  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.412  -3.551  -3.335  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.010  -2.342  -1.306  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.402  -1.819   0.645  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.215   1.213   1.730  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.107   2.928   0.355  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.727   3.492  -1.846  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.827   1.773  -0.470  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.373   4.128  -3.313  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.881   5.383  -2.157  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.316   5.420  -3.812  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.773   6.389  -4.134  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.824   6.674  -2.656  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    2    3   13                                                 
CONECT    3    2    2                                                 
CONECT    4    5    5   12    2                                       
CONECT    5    6    4    4   41                                       
CONECT    6    7    7    5   42                                       
CONECT    7    8    6    6   11                                       
CONECT    8    9    7                                                 
CONECT    9   10    8   43   44                                       
CONECT   10    9   45   46   47                                       
CONECT   11    7   12   12   48                                       
CONECT   12   11   11    4   49                                       
CONECT   13    2   14   50                                            
CONECT   14   13   15   15   21                                       
CONECT   15   16   14   14   20                                       
CONECT   16   17   15   51   52                                       
CONECT   17   18   18   19   16                                       
CONECT   18   17   17                                                 
CONECT   19   17   53   54   55                                       
CONECT   20   15   27   27   56                                       
CONECT   21   14   22   22   26                                       
CONECT   22   21   21   23   57                                       
CONECT   23   22   24   24   58                                       
CONECT   24   23   23   25   59                                       
CONECT   25   26   26   24   60                                       
CONECT   26   21   27   25   25                                       
CONECT   27   20   20   26   28                                       
CONECT   28   29   27   61                                            
CONECT   29   32   31   31   28                                       
CONECT   29   30   30                                                 
CONECT   30   29   29                                                 
CONECT   31   29   29                                                 
CONECT   32   33   33   37   29                                       
CONECT   33   34   32   32   62                                       
CONECT   34   35   35   33   63                                       
CONECT   35   38   34   34   36                                       
CONECT   36   35   37   37   64                                       
CONECT   37   36   36   32   65                                       
CONECT   38   39   35                                                 
CONECT   39   40   38   66   67                                       
CONECT   40   39   68   69   70                                       
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   28                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   39                                                      
CONECT   67   39                                                      
CONECT   68   40                                                      
CONECT   69   40                                                      
CONECT   70   40                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
