COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.464   1.147   0.223  1.00  0.00           C  
HETATM    2  O   UNL     1       4.247   2.079   0.968  1.00  0.00           O  
HETATM    3  C   UNL     1       5.828   0.505   0.197  1.00  0.00           C  
HETATM    4  C   UNL     1       5.704  -0.974   0.578  1.00  0.00           C  
HETATM    5  N   UNL     1       7.052  -1.551   0.674  1.00  0.00           N  
HETATM    6  C   UNL     1       8.041  -0.896   1.541  1.00  0.00           C  
HETATM    7  C   UNL     1       8.138   0.582   1.150  1.00  0.00           C  
HETATM    8  C   UNL     1       6.744   1.211   1.200  1.00  0.00           C  
HETATM    9  C   UNL     1       7.381  -2.683  -0.034  1.00  0.00           C  
HETATM   10  N   UNL     1       6.469  -3.311  -0.719  1.00  0.00           N  
HETATM   11  N   UNL     1       8.674  -3.151  -0.018  1.00  0.00           N  
HETATM   12  N   UNL     1       3.486   0.684  -0.581  1.00  0.00           N  
HETATM   13  C   UNL     1       2.161   1.308  -0.555  1.00  0.00           C  
HETATM   14  C   UNL     1       1.211   0.524  -1.462  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.146   1.082  -1.368  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.545   1.582  -2.697  1.00  0.00           C  
HETATM   17  C   UNL     1       0.314   0.771  -3.699  1.00  0.00           C  
HETATM   18  C   UNL     1       1.658   0.654  -2.934  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.844   1.762   1.057  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.227   1.846  -0.269  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.898   1.135  -0.251  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.505   0.610   0.770  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.014   3.315  -0.641  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.067   3.901   0.254  1.00  0.00           O  
HETATM   25  S   UNL     1      -4.488   1.625   1.197  1.00  0.00           S  
HETATM   26  O   UNL     1      -4.765   1.533   2.588  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.047   2.626   0.358  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.984  -1.033   1.284  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.944   0.075   0.495  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.265   0.003  -0.860  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.627  -1.177  -1.432  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.049  -3.579  -1.205  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.089  -4.688  -0.415  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.769  -4.615   0.939  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.407  -3.435   1.512  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.354  -2.270   0.729  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.679  -2.343  -0.649  1.00  0.00           C  
HETATM   38  H   UNL     1       6.250   0.589  -0.804  1.00  0.00           H  
HETATM   39  H   UNL     1       5.199  -1.063   1.539  1.00  0.00           H  
HETATM   40  H   UNL     1       5.135  -1.501  -0.187  1.00  0.00           H  
HETATM   41  H   UNL     1       7.726  -0.979   2.582  1.00  0.00           H  
HETATM   42  H   UNL     1       9.012  -1.373   1.412  1.00  0.00           H  
HETATM   43  H   UNL     1       8.796   1.100   1.847  1.00  0.00           H  
HETATM   44  H   UNL     1       8.539   0.665   0.140  1.00  0.00           H  
HETATM   45  H   UNL     1       6.813   2.269   0.946  1.00  0.00           H  
HETATM   46  H   UNL     1       6.333   1.105   2.204  1.00  0.00           H  
HETATM   47  H   UNL     1       6.701  -4.110  -1.219  1.00  0.00           H  
HETATM   48  H   UNL     1       9.336  -2.729   0.552  1.00  0.00           H  
HETATM   49  H   UNL     1       8.924  -3.904  -0.577  1.00  0.00           H  
HETATM   50  H   UNL     1       3.660  -0.061  -1.176  1.00  0.00           H  
HETATM   51  H   UNL     1       2.236   2.336  -0.910  1.00  0.00           H  
HETATM   52  H   UNL     1       1.776   1.303   0.465  1.00  0.00           H  
HETATM   53  H   UNL     1       1.200  -0.527  -1.172  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.605   1.396  -2.869  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.326   2.646  -2.783  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.120  -0.212  -3.880  1.00  0.00           H  
HETATM   57  H   UNL     1       0.443   1.317  -4.634  1.00  0.00           H  
HETATM   58  H   UNL     1       2.207  -0.232  -3.252  1.00  0.00           H  
HETATM   59  H   UNL     1       2.260   1.552  -3.072  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.289   1.787   1.852  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.880   1.375  -1.004  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.638   3.380  -1.662  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.962   3.848  -0.569  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.883   4.833   0.077  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.733  -0.962   2.332  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.225   0.897  -1.464  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.872  -1.218  -2.483  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.299  -3.651  -2.253  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.373  -5.637  -0.845  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.809  -5.510   1.543  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.162  -3.395   2.563  1.00  0.00           H  
CONECT    1   12    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    8   38                                       
CONECT    4    3    5   39   40                                       
CONECT    5    4    6    9                                            
CONECT    6    5    7   41   42                                       
CONECT    7    6    8   43   44                                       
CONECT    8    3    7   45   46                                       
CONECT    9    5   10   10   11                                       
CONECT   10    9    9   47                                            
CONECT   11    9   48   49                                            
CONECT   12   13    1   50                                            
CONECT   13   14   12   51   52                                       
CONECT   14   15   18   13   53                                       
CONECT   15   21   16   14                                            
CONECT   16   15   17   54   55                                       
CONECT   17   16   18   56   57                                       
CONECT   18   17   14   58   59                                       
CONECT   19   25   20   60                                            
CONECT   20   19   23   21   61                                       
CONECT   21   20   22   22   15                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   62   63                                       
CONECT   24   23   64                                                 
CONECT   25   29   27   27   26                                       
CONECT   25   26   19                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   29   29   36   65                                       
CONECT   29   28   28   30   25                                       
CONECT   30   29   31   31   66                                       
CONECT   31   30   30   37   67                                       
CONECT   32   33   33   37   68                                       
CONECT   33   34   32   32   69                                       
CONECT   34   35   35   33   70                                       
CONECT   35   34   34   36   71                                       
CONECT   36   28   35   37   37                                       
CONECT   37   32   31   36   36                                       
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
