COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.240   0.992   0.349  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.295   0.873  -0.550  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.880   1.268  -0.213  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.476  -0.647  -0.250  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.318  -1.303  -0.159  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.187  -2.138  -0.282  1.00  0.00           C  
HETATM    7  C   UNL     1       1.057  -1.637   0.072  1.00  0.00           C  
HETATM    8  C   UNL     1       1.158  -0.318   0.541  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.127  -0.001   0.316  1.00  0.00           C  
HETATM   10  O   UNL     1       2.371   0.180   0.889  1.00  0.00           O  
HETATM   11  C   UNL     1       3.848   1.913   1.701  1.00  0.00           C  
HETATM   12  C   UNL     1       4.233   2.967  -0.446  1.00  0.00           C  
HETATM   13  C   UNL     1       5.063   2.885  -1.730  1.00  0.00           C  
HETATM   14  C   UNL     1       6.902   1.962  -0.504  1.00  0.00           C  
HETATM   15  C   UNL     1       2.287  -3.773   0.502  1.00  0.00           C  
HETATM   16  C   UNL     1       3.404  -2.014  -0.696  1.00  0.00           C  
HETATM   17  C   UNL     1       3.441  -4.525   0.368  1.00  0.00           C  
HETATM   18  C   UNL     1       4.529  -3.983  -0.290  1.00  0.00           C  
HETATM   19  C   UNL     1       2.267  -2.486  -0.042  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.661   0.264  -0.245  1.00  0.00           C  
HETATM   21  C   UNL     1       6.090   2.034   0.792  1.00  0.00           C  
HETATM   22  C   UNL     1       2.407   1.530   1.359  1.00  0.00           C  
HETATM   23  N   UNL     1       4.484  -2.763  -0.789  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.607  -1.577  -0.442  1.00  0.00           N  
HETATM   25  N   UNL     1       0.086   0.439   0.644  1.00  0.00           N  
HETATM   26  N   UNL     1       4.660   1.905   0.477  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.835  -0.774  -0.486  1.00  0.00           N  
HETATM   28  N   UNL     1      -6.983   0.140  -0.475  1.00  0.00           N  
HETATM   29  O   UNL     1      -5.213   1.311   0.181  1.00  0.00           O  
HETATM   30  O   UNL     1       6.451   2.981  -1.400  1.00  0.00           O  
HETATM   31  S   UNL     1      -2.695   0.803   0.364  1.00  0.00           S  
HETATM   32  H   UNL     1     -11.254   0.710   0.107  1.00  0.00           H  
HETATM   33  H   UNL     1     -10.005   1.369   1.333  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.529   0.492  -1.533  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.584   2.119  -0.827  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.821   1.542   0.840  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.289  -3.151  -0.644  1.00  0.00           H  
HETATM   38  H   UNL     1       3.864   2.909   2.141  1.00  0.00           H  
HETATM   39  H   UNL     1       4.256   1.194   2.411  1.00  0.00           H  
HETATM   40  H   UNL     1       4.383   3.939   0.024  1.00  0.00           H  
HETATM   41  H   UNL     1       3.177   2.838  -0.686  1.00  0.00           H  
HETATM   42  H   UNL     1       4.872   1.935  -2.227  1.00  0.00           H  
HETATM   43  H   UNL     1       4.789   3.706  -2.393  1.00  0.00           H  
HETATM   44  H   UNL     1       7.958   2.114  -0.281  1.00  0.00           H  
HETATM   45  H   UNL     1       6.765   0.984  -0.966  1.00  0.00           H  
HETATM   46  H   UNL     1       1.422  -4.171   1.012  1.00  0.00           H  
HETATM   47  H   UNL     1       3.405  -1.019  -1.117  1.00  0.00           H  
HETATM   48  H   UNL     1       3.490  -5.525   0.773  1.00  0.00           H  
HETATM   49  H   UNL     1       5.431  -4.568  -0.396  1.00  0.00           H  
HETATM   50  H   UNL     1       6.391   1.223   1.456  1.00  0.00           H  
HETATM   51  H   UNL     1       6.270   2.991   1.282  1.00  0.00           H  
HETATM   52  H   UNL     1       2.028   2.195   0.582  1.00  0.00           H  
HETATM   53  H   UNL     1       1.785   1.621   2.249  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.192  -1.609  -0.826  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.340  -0.695  -0.815  1.00  0.00           H  
CONECT    1    2    2   32   33                                       
CONECT    2    3    1    1   34                                       
CONECT    3    2   28   35   36                                       
CONECT    4   27   31   24   24                                       
CONECT    5   24    9    9    6                                       
CONECT    6    5    7    7   37                                       
CONECT    7    6    6    8   19                                       
CONECT    8   25   25    7   10                                       
CONECT    9   31    5    5   25                                       
CONECT   10    8   22                                                 
CONECT   11   22   26   38   39                                       
CONECT   12   26   13   40   41                                       
CONECT   13   12   30   42   43                                       
CONECT   14   21   30   44   45                                       
CONECT   15   19   19   17   46                                       
CONECT   16   19   23   23   47                                       
CONECT   17   15   18   18   48                                       
CONECT   18   17   17   23   49                                       
CONECT   19    7   15   15   16                                       
CONECT   20   28   29   29   27                                       
CONECT   21   26   14   50   51                                       
CONECT   22   11   10   52   53                                       
CONECT   23   16   16   18                                            
CONECT   24    4    4    5                                            
CONECT   25    9    8    8                                            
CONECT   26   11   21   12                                            
CONECT   27   20    4   54                                            
CONECT   28    3   20   55                                            
CONECT   29   20   20                                                 
CONECT   30   14   13                                                 
CONECT   31    4    9                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
