COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.546   0.311   1.522  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.706   0.440   0.325  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.880   0.894  -0.153  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.910   1.209   0.822  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.314   1.028   0.203  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.257   0.046  -0.969  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.661  -0.135  -1.588  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.714  -1.632  -1.967  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.336  -2.178  -1.533  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.887  -1.270  -0.503  1.00  0.00           O  
HETATM   11  O   UNL     1      -6.684   2.344  -0.263  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.235   3.252   0.767  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.092   4.668   0.205  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.854   2.705   1.204  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.706   0.135  -0.526  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.426  -0.353  -0.006  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.506  -1.865   0.210  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.515  -2.165   1.289  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.116  -2.225   2.611  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.041  -2.500   3.601  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.365  -2.715   3.269  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.765  -2.654   1.947  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.840  -2.375   0.957  1.00  0.00           C  
HETATM   24  C   UNL     1       0.685  -0.040  -1.011  1.00  0.00           C  
HETATM   25  O   UNL     1       0.460  -0.777  -2.214  1.00  0.00           O  
HETATM   26  C   UNL     1       2.038  -0.437  -0.416  1.00  0.00           C  
HETATM   27  N   UNL     1       3.110  -0.029  -1.326  1.00  0.00           N  
HETATM   28  C   UNL     1       3.515  -0.911  -2.424  1.00  0.00           C  
HETATM   29  C   UNL     1       4.571  -1.898  -1.921  1.00  0.00           C  
HETATM   30  C   UNL     1       3.962  -2.787  -0.836  1.00  0.00           C  
HETATM   31  C   UNL     1       5.049  -2.769  -3.085  1.00  0.00           C  
HETATM   32  S   UNL     1       3.866   1.430  -1.115  1.00  0.00           S  
HETATM   33  O   UNL     1       4.410   1.787  -2.378  1.00  0.00           O  
HETATM   34  O   UNL     1       2.955   2.254  -0.400  1.00  0.00           O  
HETATM   35  C   UNL     1       5.236   1.157  -0.042  1.00  0.00           C  
HETATM   36  C   UNL     1       6.471   0.826  -0.570  1.00  0.00           C  
HETATM   37  C   UNL     1       7.547   0.612   0.269  1.00  0.00           C  
HETATM   38  C   UNL     1       5.077   1.280   1.326  1.00  0.00           C  
HETATM   39  C   UNL     1       6.150   1.067   2.169  1.00  0.00           C  
HETATM   40  C   UNL     1       7.389   0.729   1.643  1.00  0.00           C  
HETATM   41  O   UNL     1       8.446   0.519   2.470  1.00  0.00           O  
HETATM   42  C   UNL     1       9.690   0.174   1.858  1.00  0.00           C  
HETATM   43  H   UNL     1      -4.800   0.584   1.708  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.019   0.678   0.957  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.552   0.396  -1.723  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.434   0.101  -0.857  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.770   0.488  -2.475  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.513  -2.135  -1.424  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.849  -1.748  -3.043  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.437  -3.187  -1.132  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.643  -2.173  -2.374  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.929   3.244   1.606  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.427   4.652  -0.658  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.072   5.039  -0.098  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.677   5.323   0.971  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.720   2.822   2.279  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.054   3.208   0.661  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.833   0.238  -1.482  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.207   0.139   0.942  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.812  -2.349  -0.717  1.00  0.00           H  
HETATM   61  H   UNL     1       0.471  -2.242   0.512  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.081  -2.057   2.871  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.729  -2.547   4.634  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.088  -2.930   4.042  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.799  -2.822   1.687  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.153  -2.324  -0.075  1.00  0.00           H  
HETATM   67  H   UNL     1       0.684   1.027  -1.233  1.00  0.00           H  
HETATM   68  H   UNL     1       0.448  -1.736  -2.092  1.00  0.00           H  
HETATM   69  H   UNL     1       2.170   0.058   0.547  1.00  0.00           H  
HETATM   70  H   UNL     1       2.071  -1.517  -0.276  1.00  0.00           H  
HETATM   71  H   UNL     1       2.647  -1.461  -2.786  1.00  0.00           H  
HETATM   72  H   UNL     1       3.932  -0.314  -3.235  1.00  0.00           H  
HETATM   73  H   UNL     1       5.416  -1.347  -1.508  1.00  0.00           H  
HETATM   74  H   UNL     1       3.043  -3.239  -1.209  1.00  0.00           H  
HETATM   75  H   UNL     1       4.670  -3.572  -0.569  1.00  0.00           H  
HETATM   76  H   UNL     1       3.739  -2.185   0.045  1.00  0.00           H  
HETATM   77  H   UNL     1       5.483  -2.135  -3.859  1.00  0.00           H  
HETATM   78  H   UNL     1       5.801  -3.472  -2.727  1.00  0.00           H  
HETATM   79  H   UNL     1       4.204  -3.319  -3.498  1.00  0.00           H  
HETATM   80  H   UNL     1       6.594   0.735  -1.639  1.00  0.00           H  
HETATM   81  H   UNL     1       8.511   0.353  -0.143  1.00  0.00           H  
HETATM   82  H   UNL     1       4.113   1.543   1.735  1.00  0.00           H  
HETATM   83  H   UNL     1       6.025   1.163   3.238  1.00  0.00           H  
HETATM   84  H   UNL     1       9.573  -0.750   1.293  1.00  0.00           H  
HETATM   85  H   UNL     1       9.999   0.975   1.186  1.00  0.00           H  
HETATM   86  H   UNL     1      10.448   0.035   2.629  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   15                                       
CONECT    3    4    2                                                 
CONECT    4   14    5    3   43                                       
CONECT    5   11    4    6   44                                       
CONECT    6    5    7   10   45                                       
CONECT    7    6    8   46   47                                       
CONECT    8    7    9   48   49                                       
CONECT    9   10    8   50   51                                       
CONECT   10    6    9                                                 
CONECT   11   12    5                                                 
CONECT   12   13   14   11   52                                       
CONECT   13   12   53   54   55                                       
CONECT   14   12    4   56   57                                       
CONECT   15    2   16   58                                            
CONECT   16   15   24   17   59                                       
CONECT   17   16   18   60   61                                       
CONECT   18   17   19   23   23                                       
CONECT   19   20   20   18   62                                       
CONECT   20   19   19   21   63                                       
CONECT   21   20   22   22   64                                       
CONECT   22   21   21   23   65                                       
CONECT   23   18   18   22   66                                       
CONECT   24   16   26   25   67                                       
CONECT   25   24   68                                                 
CONECT   26   27   24   69   70                                       
CONECT   27   28   32   26                                            
CONECT   28   29   27   71   72                                       
CONECT   29   30   31   28   73                                       
CONECT   30   29   74   75   76                                       
CONECT   31   29   77   78   79                                       
CONECT   32   34   34   27   35                                       
CONECT   32   33   33                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35   38   32   36   36                                       
CONECT   36   35   35   37   80                                       
CONECT   37   40   40   36   81                                       
CONECT   38   39   39   35   82                                       
CONECT   39   38   38   40   83                                       
CONECT   40   39   41   37   37                                       
CONECT   41   42   40                                                 
CONECT   42   41   84   85   86                                       
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
