COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.730   1.264   0.463  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.351   0.707  -0.119  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.613   1.448  -0.180  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.778   0.462  -0.286  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.608   2.365  -1.404  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.102   1.227  -0.224  1.00  0.00           C  
HETATM    7  O   UNL     1       0.657   2.381   0.938  1.00  0.00           O  
HETATM    8  C   UNL     1       2.000   0.516   0.530  1.00  0.00           C  
HETATM    9  C   UNL     1       2.096  -0.768  -0.006  1.00  0.00           C  
HETATM   10  C   UNL     1       3.283  -1.473   0.077  1.00  0.00           C  
HETATM   11  C   UNL     1       4.426  -0.912   0.670  1.00  0.00           C  
HETATM   12  C   UNL     1       4.326   0.384   1.182  1.00  0.00           C  
HETATM   13  C   UNL     1       3.125   1.081   1.123  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.538   3.414  -1.242  1.00  0.00           C  
HETATM   15  C   UNL     1       0.742   3.173  -1.705  1.00  0.00           C  
HETATM   16  C   UNL     1       1.723   4.135  -1.556  1.00  0.00           C  
HETATM   17  C   UNL     1       1.425   5.338  -0.944  1.00  0.00           C  
HETATM   18  C   UNL     1       0.144   5.579  -0.481  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.838   4.619  -0.635  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.219   0.274  -0.205  1.00  0.00           N  
HETATM   21  O   UNL     1      -2.694  -0.243  -1.526  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.508   0.974  -0.145  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.628  -0.034  -0.128  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.099  -0.522   1.076  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.130  -1.450   1.092  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.685  -1.887  -0.103  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.210  -1.397  -1.304  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.186  -0.467  -1.316  1.00  0.00           C  
HETATM   29  O   UNL     1      -9.594  -1.931   2.274  1.00  0.00           O  
HETATM   30  C   UNL     1     -10.657  -2.885   2.214  1.00  0.00           C  
HETATM   31  N   UNL     1       5.652  -1.597   0.695  1.00  0.00           N  
HETATM   32  C   UNL     1       6.699   0.534   1.316  1.00  0.00           C  
HETATM   33  N   UNL     1       5.407   1.083   1.726  1.00  0.00           N  
HETATM   34  N   UNL     1       3.300  -2.778  -0.412  1.00  0.00           N  
HETATM   35  S   UNL     1       4.541  -3.300  -1.380  1.00  0.00           S  
HETATM   36  C   UNL     1       5.722  -3.897  -0.132  1.00  0.00           C  
HETATM   37  C   UNL     1       5.507  -3.010   1.126  1.00  0.00           C  
HETATM   38  C   UNL     1       5.320   2.516   1.411  1.00  0.00           C  
HETATM   39  C   UNL     1       6.465   3.260   2.102  1.00  0.00           C  
HETATM   40  C   UNL     1       2.211  -3.696  -0.069  1.00  0.00           C  
HETATM   41  O   UNL     1       5.024  -2.127  -2.019  1.00  0.00           O  
HETATM   42  O   UNL     1       3.995  -4.381  -2.123  1.00  0.00           O  
HETATM   43  C   UNL     1       6.666  -0.973   1.550  1.00  0.00           C  
HETATM   44  H   UNL     1      -0.292  -0.184  -0.498  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.726   2.048   0.723  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.730  -0.248   0.540  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.407   1.776  -2.299  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.580   2.849  -1.499  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.128   1.835   0.681  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.189   1.873  -1.097  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.731   0.327  -2.306  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.180  -0.345  -1.002  1.00  0.00           H  
HETATM   53  H   UNL     1       1.238  -1.215  -0.488  1.00  0.00           H  
HETATM   54  H   UNL     1       3.062   2.072   1.548  1.00  0.00           H  
HETATM   55  H   UNL     1       0.975   2.233  -2.183  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.839   4.809  -0.277  1.00  0.00           H  
HETATM   57  H   UNL     1       2.723   3.946  -1.917  1.00  0.00           H  
HETATM   58  H   UNL     1       2.192   6.089  -0.827  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.089   6.519  -0.003  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.551   1.580   0.760  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.613   1.618  -1.019  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.665  -0.180   2.004  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.820  -0.081  -2.256  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.487  -2.610  -0.094  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.641  -1.737  -2.234  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.520  -2.437   1.721  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.330  -3.759   1.651  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.933  -3.186   3.225  1.00  0.00           H  
HETATM   69  H   UNL     1       6.257  -3.248   1.880  1.00  0.00           H  
HETATM   70  H   UNL     1       4.508  -3.175   1.529  1.00  0.00           H  
HETATM   71  H   UNL     1       6.428  -1.171   2.595  1.00  0.00           H  
HETATM   72  H   UNL     1       7.644  -1.396   1.318  1.00  0.00           H  
HETATM   73  H   UNL     1       6.867   0.739   0.258  1.00  0.00           H  
HETATM   74  H   UNL     1       7.495   0.982   1.909  1.00  0.00           H  
HETATM   75  H   UNL     1       5.394   2.656   0.333  1.00  0.00           H  
HETATM   76  H   UNL     1       4.367   2.908   1.765  1.00  0.00           H  
HETATM   77  H   UNL     1       1.421  -3.619  -0.816  1.00  0.00           H  
HETATM   78  H   UNL     1       2.591  -4.718  -0.046  1.00  0.00           H  
HETATM   79  H   UNL     1       1.811  -3.436   0.911  1.00  0.00           H  
HETATM   80  H   UNL     1       5.520  -4.941   0.106  1.00  0.00           H  
HETATM   81  H   UNL     1       6.742  -3.785  -0.499  1.00  0.00           H  
HETATM   82  H   UNL     1       6.392   3.120   3.180  1.00  0.00           H  
HETATM   83  H   UNL     1       7.419   2.868   1.749  1.00  0.00           H  
HETATM   84  H   UNL     1       6.401   4.323   1.868  1.00  0.00           H  
CONECT    1    2    7    7    8                                       
CONECT    2    1    3   44                                            
CONECT    3    2    4    5   45                                       
CONECT    4    3    6   21   46                                       
CONECT    5    3   14   47   48                                       
CONECT    6    4   20   49   50                                       
CONECT    7    1    1                                                 
CONECT    8    1    9   13   13                                       
CONECT    9    8   10   10   53                                       
CONECT   10    9    9   11   34                                       
CONECT   11   10   12   12   31                                       
CONECT   12   11   11   13   33                                       
CONECT   13    8    8   12   54                                       
CONECT   14    5   15   19   19                                       
CONECT   15   14   16   16   55                                       
CONECT   16   15   15   17   57                                       
CONECT   17   16   18   18   58                                       
CONECT   18   17   17   19   59                                       
CONECT   19   14   14   18   56                                       
CONECT   20    6   22   52                                            
CONECT   21    4   51                                                 
CONECT   22   20   23   60   61                                       
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   25   62                                       
CONECT   25   24   24   26   29                                       
CONECT   26   25   27   27   64                                       
CONECT   27   26   26   28   65                                       
CONECT   28   23   23   27   63                                       
CONECT   29   25   30                                                 
CONECT   30   29   66   67   68                                       
CONECT   31   11   37   43                                            
CONECT   32   33   43   73   74                                       
CONECT   33   12   32   38                                            
CONECT   34   10   35   40                                            
CONECT   35   34   36   41   41                                       
CONECT   35   42   42                                                 
CONECT   36   35   37   80   81                                       
CONECT   37   31   36   69   70                                       
CONECT   38   33   39   75   76                                       
CONECT   39   38   82   83   84                                       
CONECT   40   34   77   78   79                                       
CONECT   41   35   35                                                 
CONECT   42   35   35                                                 
CONECT   43   31   32   71   72                                       
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51   21                                                      
CONECT   52   20                                                      
CONECT   53    9                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   19                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   28                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   43                                                      
CONECT   72   43                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
