COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.226  -0.894   2.274  1.00  0.00           O  
HETATM    2  C   UNL     1       4.806  -0.675   1.228  1.00  0.00           C  
HETATM    3  C   UNL     1       6.130  -0.035   1.246  1.00  0.00           C  
HETATM    4  C   UNL     1       6.783   0.208   0.016  1.00  0.00           C  
HETATM    5  C   UNL     1       6.756   0.336   2.426  1.00  0.00           C  
HETATM    6  C   UNL     1       8.009   0.939   2.392  1.00  0.00           C  
HETATM    7  C   UNL     1       8.654   1.181   1.213  1.00  0.00           C  
HETATM    8  C   UNL     1       8.053   0.820  -0.005  1.00  0.00           C  
HETATM    9  C   UNL     1       8.676   1.049  -1.245  1.00  0.00           C  
HETATM   10  C   UNL     1       8.052   0.681  -2.402  1.00  0.00           C  
HETATM   11  C   UNL     1       6.800   0.077  -2.394  1.00  0.00           C  
HETATM   12  C   UNL     1       6.152  -0.167  -1.192  1.00  0.00           C  
HETATM   13  C   UNL     1       4.827  -0.802  -1.129  1.00  0.00           C  
HETATM   14  O   UNL     1       4.266  -1.133  -2.156  1.00  0.00           O  
HETATM   15  N   UNL     1       4.235  -1.024   0.060  1.00  0.00           N  
HETATM   16  C   UNL     1       2.917  -1.665   0.082  1.00  0.00           C  
HETATM   17  C   UNL     1       1.828  -0.593   0.011  1.00  0.00           C  
HETATM   18  C   UNL     1       0.452  -1.263   0.035  1.00  0.00           C  
HETATM   19  S   UNL     1      -0.837   0.005  -0.049  1.00  0.00           S  
HETATM   20  C   UNL     1      -2.273  -1.015  -0.006  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.295  -2.328   0.067  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.509  -2.750   0.079  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.338  -1.733   0.013  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.814  -1.803   0.002  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.482  -2.976   0.371  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.860  -2.997   0.346  1.00  0.00           C  
HETATM   27  N   UNL     1      -8.548  -1.931  -0.020  1.00  0.00           N  
HETATM   28  C   UNL     1      -7.958  -0.806  -0.376  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.584  -0.695  -0.374  1.00  0.00           C  
HETATM   30  N   UNL     1      -3.571  -0.589  -0.038  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.028   0.735  -0.109  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.766   1.500  -1.237  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.216   2.804  -1.307  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.929   3.349  -0.249  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.372   4.633  -0.318  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.100   5.129   0.807  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.192   2.585   0.878  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.747   1.280   0.947  1.00  0.00           C  
HETATM   39  H   UNL     1       6.270   0.158   3.374  1.00  0.00           H  
HETATM   40  H   UNL     1       8.483   1.222   3.320  1.00  0.00           H  
HETATM   41  H   UNL     1       9.626   1.651   1.217  1.00  0.00           H  
HETATM   42  H   UNL     1       9.649   1.516  -1.281  1.00  0.00           H  
HETATM   43  H   UNL     1       8.542   0.864  -3.346  1.00  0.00           H  
HETATM   44  H   UNL     1       6.330  -0.202  -3.325  1.00  0.00           H  
HETATM   45  H   UNL     1       2.824  -2.335  -0.773  1.00  0.00           H  
HETATM   46  H   UNL     1       2.807  -2.236   1.004  1.00  0.00           H  
HETATM   47  H   UNL     1       1.921   0.076   0.866  1.00  0.00           H  
HETATM   48  H   UNL     1       1.939  -0.023  -0.911  1.00  0.00           H  
HETATM   49  H   UNL     1       0.359  -1.932  -0.820  1.00  0.00           H  
HETATM   50  H   UNL     1       0.341  -1.833   0.957  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.926  -3.852   0.672  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.108   0.231  -0.662  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.385  -3.897   0.630  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.560   0.042  -0.669  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.211   1.076  -2.060  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.955   0.683   1.823  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.012   3.399  -2.184  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.747   3.010   1.701  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.991   4.521   0.961  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.470   5.084   1.696  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.394   6.163   0.622  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   15                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3    8    8   12                                       
CONECT    5    3    3    6   39                                       
CONECT    6    5    7    7   40                                       
CONECT    7    6    6    8   41                                       
CONECT    8    4    4    7    9                                       
CONECT    9    8   10   10   42                                       
CONECT   10    9    9   11   43                                       
CONECT   11   10   12   12   44                                       
CONECT   12    4   11   11   13                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15    2   13   16                                            
CONECT   16   15   17   45   46                                       
CONECT   17   16   18   47   48                                       
CONECT   18   17   19   49   50                                       
CONECT   19   20   18                                                 
CONECT   20   19   21   21   30                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   23                                            
CONECT   23   22   22   24   30                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   51                                       
CONECT   26   25   27   27   53                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   29   54                                       
CONECT   29   24   28   28   52                                       
CONECT   30   20   23   31                                            
CONECT   31   30   32   38   38                                       
CONECT   32   31   33   33   55                                       
CONECT   33   32   32   34   57                                       
CONECT   34   33   35   37   37                                       
CONECT   35   34   36                                                 
CONECT   36   35   59   60   61                                       
CONECT   37   34   34   38   58                                       
CONECT   38   31   31   37   56                                       
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   25                                                      
CONECT   52   29                                                      
CONECT   53   26                                                      
CONECT   54   28                                                      
CONECT   55   32                                                      
CONECT   56   38                                                      
CONECT   57   33                                                      
CONECT   58   37                                                      
CONECT   59   36                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
