COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.027  -1.323   0.003  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.183  -2.431   0.948  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.595  -1.881   2.315  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.963  -1.205   2.202  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.675  -3.029   3.324  1.00  0.00           C  
HETATM    6  C   UNL     1       6.450  -0.147  -0.414  1.00  0.00           C  
HETATM    7  C   UNL     1       0.234   1.436  -0.749  1.00  0.00           C  
HETATM    8  C   UNL     1       6.655  -1.564  -0.983  1.00  0.00           C  
HETATM    9  O   UNL     1       6.078  -1.671  -2.285  1.00  0.00           O  
HETATM   10  C   UNL     1       8.191  -1.706  -1.055  1.00  0.00           C  
HETATM   11  O   UNL     1       8.754  -0.460  -0.605  1.00  0.00           O  
HETATM   12  C   UNL     1       7.785   0.124   0.308  1.00  0.00           C  
HETATM   13  O   UNL     1       7.868  -0.633   1.517  1.00  0.00           O  
HETATM   14  C   UNL     1       6.793  -0.457   2.435  1.00  0.00           C  
HETATM   15  C   UNL     1       5.500  -0.940   1.766  1.00  0.00           C  
HETATM   16  C   UNL     1       5.261  -0.081   0.522  1.00  0.00           C  
HETATM   17  O   UNL     1       4.080  -0.562  -0.171  1.00  0.00           O  
HETATM   18  C   UNL     1       2.896  -0.040   0.202  1.00  0.00           C  
HETATM   19  O   UNL     1       2.852   0.796   1.083  1.00  0.00           O  
HETATM   20  N   UNL     1       1.761  -0.444  -0.401  1.00  0.00           N  
HETATM   21  C   UNL     1       0.473   0.125   0.004  1.00  0.00           C  
HETATM   22  C   UNL     1       1.268   2.450  -0.332  1.00  0.00           C  
HETATM   23  C   UNL     1       1.022   3.286   0.742  1.00  0.00           C  
HETATM   24  C   UNL     1       1.972   4.213   1.127  1.00  0.00           C  
HETATM   25  C   UNL     1       3.168   4.304   0.439  1.00  0.00           C  
HETATM   26  C   UNL     1       3.414   3.468  -0.634  1.00  0.00           C  
HETATM   27  C   UNL     1       2.463   2.542  -1.020  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.647  -0.863  -0.324  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.737  -1.029  -1.740  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.975  -0.325   0.212  1.00  0.00           C  
HETATM   31  S   UNL     1      -4.035  -1.204  -1.306  1.00  0.00           S  
HETATM   32  O   UNL     1      -3.340  -0.435  -2.279  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.525  -2.513  -1.556  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.423  -0.239  -0.809  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.398   1.135  -0.960  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.485   1.894  -0.571  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.602   1.276  -0.028  1.00  0.00           C  
HETATM   38  O   UNL     1      -8.672   2.020   0.356  1.00  0.00           O  
HETATM   39  C   UNL     1      -9.788   1.317   0.907  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.624  -0.103   0.123  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.537  -0.858  -0.273  1.00  0.00           C  
HETATM   42  H   UNL     1      -3.952  -3.114   0.585  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.238  -2.966   1.041  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.856  -1.153   2.651  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.681  -1.908   1.780  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.297  -0.894   3.192  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.884  -0.332   1.554  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.700  -3.510   3.405  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.968  -2.637   4.298  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.413  -3.757   2.988  1.00  0.00           H  
HETATM   51  H   UNL     1       6.317   0.563  -1.230  1.00  0.00           H  
HETATM   52  H   UNL     1       0.312   1.257  -1.821  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.761   1.813  -0.515  1.00  0.00           H  
HETATM   54  H   UNL     1       6.232  -2.312  -0.312  1.00  0.00           H  
HETATM   55  H   UNL     1       6.180  -2.544  -2.690  1.00  0.00           H  
HETATM   56  H   UNL     1       8.520  -2.517  -0.406  1.00  0.00           H  
HETATM   57  H   UNL     1       8.497  -1.905  -2.082  1.00  0.00           H  
HETATM   58  H   UNL     1       7.957   1.188   0.469  1.00  0.00           H  
HETATM   59  H   UNL     1       6.981  -1.042   3.335  1.00  0.00           H  
HETATM   60  H   UNL     1       6.700   0.598   2.693  1.00  0.00           H  
HETATM   61  H   UNL     1       5.603  -1.986   1.477  1.00  0.00           H  
HETATM   62  H   UNL     1       4.664  -0.828   2.457  1.00  0.00           H  
HETATM   63  H   UNL     1       5.101   0.954   0.826  1.00  0.00           H  
HETATM   64  H   UNL     1       1.796  -1.111  -1.105  1.00  0.00           H  
HETATM   65  H   UNL     1       0.484   0.320   1.077  1.00  0.00           H  
HETATM   66  H   UNL     1       0.088   3.214   1.279  1.00  0.00           H  
HETATM   67  H   UNL     1       1.780   4.866   1.965  1.00  0.00           H  
HETATM   68  H   UNL     1       3.910   5.029   0.740  1.00  0.00           H  
HETATM   69  H   UNL     1       4.348   3.540  -1.171  1.00  0.00           H  
HETATM   70  H   UNL     1       2.657   1.886  -1.856  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.431  -1.825   0.141  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.928  -0.211  -2.221  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.235   0.592  -0.317  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.880  -0.116   1.277  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.528   1.616  -1.383  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.465   2.967  -0.689  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.571   2.027   1.170  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.171   0.609   0.171  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.471   0.777   1.799  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.493  -0.586   0.546  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.556  -1.931  -0.160  1.00  0.00           H  
CONECT    1   30    2   31                                            
CONECT    2    3    1   42   43                                       
CONECT    3    5    4    2   44                                       
CONECT    4    3   45   46   47                                       
CONECT    5    3   48   49   50                                       
CONECT    6   12    8   16   51                                       
CONECT    7   21   22   52   53                                       
CONECT    8    6    9   10   54                                       
CONECT    9    8   55                                                 
CONECT   10   11    8   56   57                                       
CONECT   11   12   10                                                 
CONECT   12   13   11    6   58                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   59   60                                       
CONECT   15   14   16   61   62                                       
CONECT   16    6   15   17   63                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   64                                            
CONECT   21   20   28    7   65                                       
CONECT   22   23   23   27    7                                       
CONECT   23   24   22   22   66                                       
CONECT   24   25   25   23   67                                       
CONECT   25   24   24   26   68                                       
CONECT   26   25   27   27   69                                       
CONECT   27   26   26   22   70                                       
CONECT   28   21   29   30   71                                       
CONECT   29   28   72                                                 
CONECT   30   28    1   73   74                                       
CONECT   31    1   33   33   32                                       
CONECT   31   32   34                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   31   35   35   41                                       
CONECT   35   34   34   36   75                                       
CONECT   36   35   37   37   76                                       
CONECT   37   36   36   40   38                                       
CONECT   38   37   39                                                 
CONECT   39   38   77   78   79                                       
CONECT   40   41   41   37   80                                       
CONECT   41   34   40   40   81                                       
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
