COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.010   5.337   0.170  1.00  0.00           C  
HETATM    2  O   UNL     1       5.698   4.014   0.679  1.00  0.00           O  
HETATM    3  C   UNL     1       6.242   2.969   0.035  1.00  0.00           C  
HETATM    4  O   UNL     1       6.956   3.155  -0.922  1.00  0.00           O  
HETATM    5  C   UNL     1       5.962   1.565   0.506  1.00  0.00           C  
HETATM    6  C   UNL     1       4.457   1.297   0.443  1.00  0.00           C  
HETATM    7  C   UNL     1       4.173  -0.119   0.955  1.00  0.00           C  
HETATM    8  C   UNL     1       6.698   0.570  -0.394  1.00  0.00           C  
HETATM    9  C   UNL     1       6.440  -0.854   0.108  1.00  0.00           C  
HETATM   10  N   UNL     1       4.989  -1.071   0.188  1.00  0.00           N  
HETATM   11  C   UNL     1       4.417  -2.124  -0.429  1.00  0.00           C  
HETATM   12  O   UNL     1       5.084  -2.844  -1.146  1.00  0.00           O  
HETATM   13  C   UNL     1       2.978  -2.403  -0.234  1.00  0.00           C  
HETATM   14  C   UNL     1       2.188  -2.797  -1.315  1.00  0.00           C  
HETATM   15  C   UNL     1       0.846  -3.057  -1.125  1.00  0.00           C  
HETATM   16  C   UNL     1       2.406  -2.279   1.033  1.00  0.00           C  
HETATM   17  C   UNL     1       1.064  -2.547   1.209  1.00  0.00           C  
HETATM   18  C   UNL     1       0.283  -2.927   0.132  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.182  -3.217   0.332  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.954  -1.987   0.145  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.295  -2.006   0.276  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.864  -3.045   0.550  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.072  -0.767   0.088  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.459  -0.782   0.228  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.185   0.387   0.050  1.00  0.00           C  
HETATM   26  S   UNL     1      -7.916   0.702   0.154  1.00  0.00           S  
HETATM   27  C   UNL     1      -7.643   2.395  -0.235  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.634   3.348  -0.340  1.00  0.00           N  
HETATM   29  N   UNL     1      -6.384   2.619  -0.408  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.535   1.586  -0.271  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.128   1.577  -0.408  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.420   0.433  -0.227  1.00  0.00           C  
HETATM   33  H   UNL     1       5.670   5.420  -0.862  1.00  0.00           H  
HETATM   34  H   UNL     1       5.508   6.089   0.780  1.00  0.00           H  
HETATM   35  H   UNL     1       7.088   5.497   0.212  1.00  0.00           H  
HETATM   36  H   UNL     1       6.309   1.451   1.533  1.00  0.00           H  
HETATM   37  H   UNL     1       3.932   2.021   1.066  1.00  0.00           H  
HETATM   38  H   UNL     1       4.114   1.387  -0.588  1.00  0.00           H  
HETATM   39  H   UNL     1       4.432  -0.184   2.011  1.00  0.00           H  
HETATM   40  H   UNL     1       3.117  -0.352   0.820  1.00  0.00           H  
HETATM   41  H   UNL     1       6.334   0.667  -1.417  1.00  0.00           H  
HETATM   42  H   UNL     1       7.768   0.777  -0.367  1.00  0.00           H  
HETATM   43  H   UNL     1       6.879  -1.571  -0.586  1.00  0.00           H  
HETATM   44  H   UNL     1       6.885  -0.980   1.095  1.00  0.00           H  
HETATM   45  H   UNL     1       2.625  -2.899  -2.297  1.00  0.00           H  
HETATM   46  H   UNL     1       0.233  -3.362  -1.961  1.00  0.00           H  
HETATM   47  H   UNL     1       3.012  -1.975   1.873  1.00  0.00           H  
HETATM   48  H   UNL     1       0.619  -2.447   2.188  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.506  -3.964  -0.393  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.342  -3.597   1.341  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.500  -1.158  -0.073  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.967  -1.702   0.475  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.561   3.102  -0.196  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.404   4.264  -0.559  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.610   2.491  -0.656  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.345   0.446  -0.332  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    3    1                                                 
CONECT    3    4    4    2    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6    8   36                                       
CONECT    6    7    5   37   38                                       
CONECT    7    6   10   39   40                                       
CONECT    8    5    9   41   42                                       
CONECT    9   10    8   43   44                                       
CONECT   10    7   11    9                                            
CONECT   11   13   10   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   16   16   14   11                                       
CONECT   14   15   15   13   45                                       
CONECT   15   18   14   14   46                                       
CONECT   16   17   13   13   47                                       
CONECT   17   18   18   16   48                                       
CONECT   18   19   17   17   15                                       
CONECT   19   20   18   49   50                                       
CONECT   20   21   19   51                                            
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   32   32                                       
CONECT   24   25   25   23   52                                       
CONECT   25   26   24   24   30                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   29   29                                       
CONECT   28   27   53   54                                            
CONECT   29   27   27   30                                            
CONECT   30   25   29   31   31                                       
CONECT   31   30   30   32   55                                       
CONECT   32   23   23   31   56                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   24                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
