COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.249   1.153   0.477  1.00  0.00           C  
HETATM    2  C   UNL     1       8.807   1.520   0.717  1.00  0.00           C  
HETATM    3  O   UNL     1       8.531   2.441   1.457  1.00  0.00           O  
HETATM    4  N   UNL     1       7.825   0.825   0.110  1.00  0.00           N  
HETATM    5  C   UNL     1       6.423   1.181   0.344  1.00  0.00           C  
HETATM    6  C   UNL     1       6.017   2.306  -0.610  1.00  0.00           C  
HETATM    7  C   UNL     1       6.990   3.477  -0.463  1.00  0.00           C  
HETATM    8  C   UNL     1       6.054   1.791  -2.051  1.00  0.00           C  
HETATM    9  C   UNL     1       4.600   2.774  -0.273  1.00  0.00           C  
HETATM   10  C   UNL     1       5.551  -0.023   0.101  1.00  0.00           C  
HETATM   11  O   UNL     1       6.021  -1.020  -0.405  1.00  0.00           O  
HETATM   12  N   UNL     1       4.249   0.007   0.446  1.00  0.00           N  
HETATM   13  C   UNL     1       3.384  -1.137   0.145  1.00  0.00           C  
HETATM   14  C   UNL     1       3.505  -2.176   1.261  1.00  0.00           C  
HETATM   15  C   UNL     1       4.954  -2.658   1.355  1.00  0.00           C  
HETATM   16  C   UNL     1       3.091  -1.545   2.592  1.00  0.00           C  
HETATM   17  C   UNL     1       2.591  -3.364   0.954  1.00  0.00           C  
HETATM   18  C   UNL     1       1.954  -0.673   0.043  1.00  0.00           C  
HETATM   19  O   UNL     1       1.554   0.220   0.760  1.00  0.00           O  
HETATM   20  N   UNL     1       1.120  -1.249  -0.845  1.00  0.00           N  
HETATM   21  C   UNL     1       1.442  -2.406  -1.701  1.00  0.00           C  
HETATM   22  C   UNL     1       0.476  -2.289  -2.906  1.00  0.00           C  
HETATM   23  O   UNL     1       0.967  -1.353  -3.867  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.812  -1.759  -2.222  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.263  -0.832  -1.117  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.101  -0.968   0.129  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.597  -1.365   1.158  1.00  0.00           O  
HETATM   28  N   UNL     1      -2.410  -0.649   0.099  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.224  -0.781   1.310  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.641  -0.364   1.010  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.557  -1.302   0.570  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.856  -0.927   0.295  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.021   0.955   1.183  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.317   1.344   0.911  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.244   0.403   0.461  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.635   0.812   0.168  1.00  0.00           C  
HETATM   37  S   UNL     1     -10.096  -0.009   0.712  1.00  0.00           S  
HETATM   38  C   UNL     1     -11.059   1.154  -0.088  1.00  0.00           C  
HETATM   39  N   UNL     1     -10.313   2.029  -0.676  1.00  0.00           N  
HETATM   40  C   UNL     1      -9.012   1.886  -0.559  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.025   2.832  -1.192  1.00  0.00           C  
HETATM   42  H   UNL     1      10.894   1.821   1.048  1.00  0.00           H  
HETATM   43  H   UNL     1      10.420   0.125   0.794  1.00  0.00           H  
HETATM   44  H   UNL     1      10.476   1.249  -0.585  1.00  0.00           H  
HETATM   45  H   UNL     1       8.046   0.089  -0.481  1.00  0.00           H  
HETATM   46  H   UNL     1       6.300   1.517   1.374  1.00  0.00           H  
HETATM   47  H   UNL     1       7.999   3.143  -0.703  1.00  0.00           H  
HETATM   48  H   UNL     1       6.701   4.278  -1.143  1.00  0.00           H  
HETATM   49  H   UNL     1       6.964   3.844   0.563  1.00  0.00           H  
HETATM   50  H   UNL     1       5.360   0.956  -2.156  1.00  0.00           H  
HETATM   51  H   UNL     1       5.764   2.592  -2.731  1.00  0.00           H  
HETATM   52  H   UNL     1       7.063   1.457  -2.291  1.00  0.00           H  
HETATM   53  H   UNL     1       4.579   3.163   0.745  1.00  0.00           H  
HETATM   54  H   UNL     1       4.301   3.559  -0.968  1.00  0.00           H  
HETATM   55  H   UNL     1       3.910   1.934  -0.356  1.00  0.00           H  
HETATM   56  H   UNL     1       3.884   0.786   0.895  1.00  0.00           H  
HETATM   57  H   UNL     1       3.690  -1.584  -0.802  1.00  0.00           H  
HETATM   58  H   UNL     1       5.605  -1.812   1.574  1.00  0.00           H  
HETATM   59  H   UNL     1       5.040  -3.399   2.150  1.00  0.00           H  
HETATM   60  H   UNL     1       5.249  -3.108   0.407  1.00  0.00           H  
HETATM   61  H   UNL     1       2.058  -1.201   2.526  1.00  0.00           H  
HETATM   62  H   UNL     1       3.177  -2.285   3.388  1.00  0.00           H  
HETATM   63  H   UNL     1       3.742  -0.699   2.811  1.00  0.00           H  
HETATM   64  H   UNL     1       2.932  -3.859   0.045  1.00  0.00           H  
HETATM   65  H   UNL     1       2.619  -4.069   1.785  1.00  0.00           H  
HETATM   66  H   UNL     1       1.570  -3.009   0.812  1.00  0.00           H  
HETATM   67  H   UNL     1       2.477  -2.352  -2.038  1.00  0.00           H  
HETATM   68  H   UNL     1       1.267  -3.337  -1.161  1.00  0.00           H  
HETATM   69  H   UNL     1       0.303  -3.263  -3.364  1.00  0.00           H  
HETATM   70  H   UNL     1       1.821  -1.595  -4.250  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.426  -1.198  -2.927  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.379  -2.583  -1.788  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.273   0.201  -1.462  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.813  -0.332  -0.725  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.214  -1.819   1.643  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.815  -0.144   2.093  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.254  -2.331   0.441  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.570  -1.661  -0.049  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.302   1.682   1.531  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.613   2.373   1.046  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.139   1.156  -0.101  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.728   3.588  -0.465  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.145   2.277  -1.518  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.487   3.318  -2.052  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    4    1    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   45                                            
CONECT    5   10    6    4   46                                       
CONECT    6    9    7    5    8                                       
CONECT    7    6   47   48   49                                       
CONECT    8    6   50   51   52                                       
CONECT    9    6   53   54   55                                       
CONECT   10   12   11   11    5                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   56                                            
CONECT   13   18   14   12   57                                       
CONECT   14   15   13   16   17                                       
CONECT   15   14   58   59   60                                       
CONECT   16   14   61   62   63                                       
CONECT   17   14   64   65   66                                       
CONECT   18   20   19   19   13                                       
CONECT   19   18   18                                                 
CONECT   20   25   21   18                                            
CONECT   21   22   20   67   68                                       
CONECT   22   24   23   21   69                                       
CONECT   23   22   70                                                 
CONECT   24   25   22   71   72                                       
CONECT   25   24   26   20   73                                       
CONECT   26   28   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28   29   26   74                                            
CONECT   29   30   28   75   76                                       
CONECT   30   33   33   31   29                                       
CONECT   31   32   32   30   77                                       
CONECT   32   35   31   31   78                                       
CONECT   33   34   30   30   79                                       
CONECT   34   35   35   33   80                                       
CONECT   35   36   34   34   32                                       
CONECT   36   40   40   37   35                                       
CONECT   37   38   36                                                 
CONECT   38   39   39   37   81                                       
CONECT   39   38   38   40                                            
CONECT   40   39   41   36   36                                       
CONECT   41   40   82   83   84                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
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   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   38                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
