COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      14.450   2.013  -0.714  1.00  0.00           C  
HETATM    2  C   UNL     1      13.420   1.145   0.012  1.00  0.00           C  
HETATM    3  C   UNL     1      12.034   1.390  -0.587  1.00  0.00           C  
HETATM    4  C   UNL     1      11.004   0.522   0.139  1.00  0.00           C  
HETATM    5  C   UNL     1       9.618   0.767  -0.460  1.00  0.00           C  
HETATM    6  C   UNL     1       8.588  -0.101   0.266  1.00  0.00           C  
HETATM    7  C   UNL     1       7.201   0.144  -0.333  1.00  0.00           C  
HETATM    8  C   UNL     1       6.172  -0.724   0.393  1.00  0.00           C  
HETATM    9  C   UNL     1       4.785  -0.479  -0.206  1.00  0.00           C  
HETATM   10  C   UNL     1       3.755  -1.347   0.521  1.00  0.00           C  
HETATM   11  C   UNL     1       2.369  -1.102  -0.079  1.00  0.00           C  
HETATM   12  S   UNL     1       1.148  -2.131   0.783  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.405  -1.708  -0.055  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.531  -2.596   0.481  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.244  -3.963   0.182  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.850  -2.192  -0.187  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.919  -2.966   0.360  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.722  -0.337   0.193  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.920   0.110  -0.445  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.142   1.591  -0.134  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.083   2.362  -0.705  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.108  -0.705   0.074  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.298  -0.300  -0.605  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.499  -0.550   0.128  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.595   0.373   1.215  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.598   1.745   0.816  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.675   2.637   2.057  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.489   2.473   2.836  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.810   2.012  -0.080  1.00  0.00           C  
HETATM   30  O   UNL     1      -6.784   3.369  -0.528  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.757   1.073  -1.290  1.00  0.00           C  
HETATM   32  O   UNL     1      -7.923   1.264  -2.095  1.00  0.00           O  
HETATM   33  C   UNL     1      -6.707  -0.376  -0.796  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.584  -1.258  -1.914  1.00  0.00           O  
HETATM   35  H   UNL     1      15.438   1.839  -0.287  1.00  0.00           H  
HETATM   36  H   UNL     1      14.461   1.754  -1.773  1.00  0.00           H  
HETATM   37  H   UNL     1      14.185   3.064  -0.600  1.00  0.00           H  
HETATM   38  H   UNL     1      13.685   0.094  -0.102  1.00  0.00           H  
HETATM   39  H   UNL     1      13.409   1.404   1.071  1.00  0.00           H  
HETATM   40  H   UNL     1      11.769   2.441  -0.473  1.00  0.00           H  
HETATM   41  H   UNL     1      12.045   1.131  -1.646  1.00  0.00           H  
HETATM   42  H   UNL     1      11.269  -0.529   0.025  1.00  0.00           H  
HETATM   43  H   UNL     1      10.993   0.781   1.198  1.00  0.00           H  
HETATM   44  H   UNL     1       9.352   1.818  -0.346  1.00  0.00           H  
HETATM   45  H   UNL     1       9.628   0.508  -1.519  1.00  0.00           H  
HETATM   46  H   UNL     1       8.853  -1.152   0.152  1.00  0.00           H  
HETATM   47  H   UNL     1       8.577   0.158   1.325  1.00  0.00           H  
HETATM   48  H   UNL     1       6.936   1.195  -0.219  1.00  0.00           H  
HETATM   49  H   UNL     1       7.212  -0.115  -1.392  1.00  0.00           H  
HETATM   50  H   UNL     1       6.436  -1.775   0.279  1.00  0.00           H  
HETATM   51  H   UNL     1       6.160  -0.465   1.452  1.00  0.00           H  
HETATM   52  H   UNL     1       4.520   0.572  -0.091  1.00  0.00           H  
HETATM   53  H   UNL     1       4.796  -0.738  -1.265  1.00  0.00           H  
HETATM   54  H   UNL     1       4.020  -2.398   0.406  1.00  0.00           H  
HETATM   55  H   UNL     1       3.744  -1.088   1.579  1.00  0.00           H  
HETATM   56  H   UNL     1       2.104  -0.051   0.036  1.00  0.00           H  
HETATM   57  H   UNL     1       2.380  -1.361  -1.138  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.295  -1.868  -1.127  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.615  -2.467   1.560  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.419  -4.286   0.570  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.784  -2.369  -1.261  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.818  -3.920   0.237  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.830  -0.026  -1.523  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.094   1.912  -0.558  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.158   1.737   0.946  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.159   3.313  -0.546  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.223  -0.538   1.145  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.482  -1.568   0.517  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.683   1.966   0.266  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.767   3.679   1.750  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.543   2.356   2.653  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.469   3.010   3.640  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.726   1.830   0.482  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.524   3.608  -1.102  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.867   1.289  -1.881  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.955   0.700  -2.879  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.621  -0.606  -0.248  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.542  -2.193  -1.674  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    1    3   38   39                                       
CONECT    3    2    4   40   41                                       
CONECT    4    3    5   42   43                                       
CONECT    5    4    6   44   45                                       
CONECT    6    5    7   46   47                                       
CONECT    7    6    8   48   49                                       
CONECT    8    7    9   50   51                                       
CONECT    9    8   10   52   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   12   56   57                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   18   58                                       
CONECT   14   15   13   16   59                                       
CONECT   15   14   60                                                 
CONECT   16   14   17   22   61                                       
CONECT   17   16   62                                                 
CONECT   18   13   19                                                 
CONECT   19   18   20   22   63                                       
CONECT   20   21   19   64   65                                       
CONECT   21   20   66                                                 
CONECT   22   19   16   23   67                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   33   68                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   29   69                                       
CONECT   27   28   26   70   71                                       
CONECT   28   27   72                                                 
CONECT   29   26   31   30   73                                       
CONECT   30   29   74                                                 
CONECT   31   33   29   32   75                                       
CONECT   32   31   76                                                 
CONECT   33   24   34   31   77                                       
CONECT   34   33   78                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
