COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.573   1.055   1.728  1.00  0.00           N  
HETATM    2  C   UNL     1       6.589   0.632   0.722  1.00  0.00           C  
HETATM    3  C   UNL     1       5.198   0.814   1.272  1.00  0.00           C  
HETATM    4  O   UNL     1       5.025   0.897   2.470  1.00  0.00           O  
HETATM    5  C   UNL     1       6.813  -0.843   0.380  1.00  0.00           C  
HETATM    6  C   UNL     1       8.177  -1.009  -0.293  1.00  0.00           C  
HETATM    7  C   UNL     1       8.397  -2.461  -0.631  1.00  0.00           C  
HETATM    8  O   UNL     1       7.550  -3.279  -0.361  1.00  0.00           O  
HETATM    9  O   UNL     1       9.534  -2.845  -1.232  1.00  0.00           O  
HETATM   10  N   UNL     1       4.145   0.884   0.433  1.00  0.00           N  
HETATM   11  C   UNL     1       2.793   1.061   0.968  1.00  0.00           C  
HETATM   12  C   UNL     1       1.789   0.513  -0.013  1.00  0.00           C  
HETATM   13  O   UNL     1       2.166   0.023  -1.057  1.00  0.00           O  
HETATM   14  C   UNL     1       2.525   2.551   1.194  1.00  0.00           C  
HETATM   15  C   UNL     1       2.650   3.299  -0.135  1.00  0.00           C  
HETATM   16  C   UNL     1       3.544   3.107   2.190  1.00  0.00           C  
HETATM   17  C   UNL     1       2.261   4.765   0.067  1.00  0.00           C  
HETATM   18  N   UNL     1       0.472   0.568   0.268  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.504   0.036  -0.686  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.830   0.722  -0.483  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.949   1.572   0.374  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.668  -1.469  -0.461  1.00  0.00           C  
HETATM   23  C   UNL     1       0.627  -2.169  -0.783  1.00  0.00           C  
HETATM   24  C   UNL     1       1.610  -2.407   0.088  1.00  0.00           C  
HETATM   25  C   UNL     1       2.707  -3.067  -0.438  1.00  0.00           C  
HETATM   26  C   UNL     1       2.616  -3.365  -1.735  1.00  0.00           C  
HETATM   27  S   UNL     1       1.071  -2.804  -2.362  1.00  0.00           S  
HETATM   28  N   UNL     1      -2.885   0.391  -1.254  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.174   1.057  -1.057  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.115  -0.130  -2.940  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.196   2.368  -1.845  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.168   3.313  -1.278  1.00  0.00           C  
HETATM   33  S   UNL     1      -3.461   4.476   0.009  1.00  0.00           S  
HETATM   34  C   UNL     1      -1.791   5.023  -0.066  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.137   4.339  -1.006  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.896   3.391  -1.671  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.300   0.146  -1.550  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.279  -1.145  -0.774  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.030  -2.188  -1.339  1.00  0.00           O  
HETATM   40  N   UNL     1      -5.536  -1.140   0.549  1.00  0.00           N  
HETATM   41  CA  UNL     1      -5.515  -2.395   1.304  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.213  -2.101   2.775  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.799  -1.529   2.901  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.498  -1.235   4.372  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.857  -3.072   1.192  1.00  0.00           C  
HETATM   46  O   UNL     1      -7.740  -2.557   0.548  1.00  0.00           O  
HETATM   47  OXT UNL     1      -7.071  -4.245   1.808  1.00  0.00           O  
HETATM   48  H   UNL     1       7.484   0.510   2.572  1.00  0.00           H  
HETATM   49  H   UNL     1       8.511   1.003   1.360  1.00  0.00           H  
HETATM   50  H   UNL     1       6.706   1.235  -0.177  1.00  0.00           H  
HETATM   51  H   UNL     1       6.784  -1.437   1.293  1.00  0.00           H  
HETATM   52  H   UNL     1       6.029  -1.181  -0.299  1.00  0.00           H  
HETATM   53  H   UNL     1       8.206  -0.415  -1.207  1.00  0.00           H  
HETATM   54  H   UNL     1       8.960  -0.670   0.385  1.00  0.00           H  
HETATM   55  H   UNL     1       9.630  -3.787  -1.428  1.00  0.00           H  
HETATM   56  H   UNL     1       4.283   0.817  -0.524  1.00  0.00           H  
HETATM   57  H   UNL     1       2.704   0.528   1.915  1.00  0.00           H  
HETATM   58  H   UNL     1       1.519   2.682   1.592  1.00  0.00           H  
HETATM   59  H   UNL     1       3.680   3.241  -0.488  1.00  0.00           H  
HETATM   60  H   UNL     1       1.987   2.845  -0.871  1.00  0.00           H  
HETATM   61  H   UNL     1       3.353   4.168   2.351  1.00  0.00           H  
HETATM   62  H   UNL     1       3.455   2.574   3.137  1.00  0.00           H  
HETATM   63  H   UNL     1       4.550   2.975   1.793  1.00  0.00           H  
HETATM   64  H   UNL     1       1.232   4.822   0.420  1.00  0.00           H  
HETATM   65  H   UNL     1       2.924   5.219   0.803  1.00  0.00           H  
HETATM   66  H   UNL     1       2.350   5.297  -0.880  1.00  0.00           H  
HETATM   67  H   UNL     1       0.171   0.960   1.103  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.154   0.215  -1.702  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.932  -1.654   0.580  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.457  -1.849  -1.109  1.00  0.00           H  
HETATM   71  H   UNL     1       1.553  -2.107   1.123  1.00  0.00           H  
HETATM   72  H   UNL     1       3.572  -3.321   0.157  1.00  0.00           H  
HETATM   73  H   UNL     1       3.373  -3.877  -2.311  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.790  -0.289  -1.939  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.316   1.268   0.003  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.279  -0.572  -3.145  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.967   2.167  -2.891  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.186   2.820  -1.771  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.361   5.796   0.554  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.094   4.508  -1.228  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.490   2.765  -2.451  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.260   0.642  -1.404  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.735  -0.306   1.001  1.00  0.00           H  
HETATM   84  HA  UNL     1      -4.743  -3.050   0.899  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.933  -1.377   3.156  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.285  -3.023   3.352  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.079  -2.253   2.520  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.728  -0.608   2.324  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.569  -2.157   4.949  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.491  -0.828   4.461  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.218  -0.511   4.752  1.00  0.00           H  
HETATM   92  HXT UNL     1      -7.948  -4.640   1.707  1.00  0.00           H  
CONECT    1    2   48   49                                            
CONECT    2    1    3    5   50                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   51   52                                       
CONECT    6    5    7   53   54                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   55                                                 
CONECT   10   11   56    3                                            
CONECT   11   10   12   14   57                                       
CONECT   12   11   13   13   18                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   58                                       
CONECT   15   14   17   59   60                                       
CONECT   16   14   61   62   63                                       
CONECT   17   15   64   65   66                                       
CONECT   18   19   67   12                                            
CONECT   19   18   20   22   68                                       
CONECT   20   19   21   21   28                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   69   70                                       
CONECT   23   22   24   24   27                                       
CONECT   24   23   23   25   71                                       
CONECT   25   24   26   26   72                                       
CONECT   26   25   25   27   73                                       
CONECT   27   23   26                                                 
CONECT   28   29   74   20                                            
CONECT   29   28   31   37   75                                       
CONECT   30   37   76                                                 
CONECT   31   29   32   77   78                                       
CONECT   32   31   33   36   36                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   35   79                                       
CONECT   35   34   34   36   80                                       
CONECT   36   32   32   35   81                                       
CONECT   37   29   30   38   82                                       
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   83                                            
CONECT   41   40   42   45   84                                       
CONECT   42   41   43   85   86                                       
CONECT   43   42   44   87   88                                       
CONECT   44   43   89   90   91                                       
CONECT   45   41   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   92                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   47                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
