COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.150   5.898   0.967  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.262   5.188  -0.057  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.553   3.709  -0.032  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.531   3.186  -0.860  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.802   1.833  -0.844  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.087   0.992   0.011  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.101   1.527   0.844  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.837   2.880   0.813  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.351  -0.351   0.034  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.361  -1.215   0.030  1.00  0.00           C  
HETATM   11  S   UNL     1      -2.630  -0.839   0.007  1.00  0.00           S  
HETATM   12  C   UNL     1      -2.110  -2.535   0.017  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.842  -3.015   0.008  1.00  0.00           C  
HETATM   14  C   UNL     1       0.290  -2.095  -0.182  1.00  0.00           C  
HETATM   15  C   UNL     1       1.590  -2.470   0.182  1.00  0.00           C  
HETATM   16  C   UNL     1       2.627  -1.570  -0.017  1.00  0.00           C  
HETATM   17  N   UNL     1       3.925  -1.926   0.339  1.00  0.00           N  
HETATM   18  C   UNL     1       4.949  -0.996   0.247  1.00  0.00           C  
HETATM   19  C   UNL     1       6.222  -1.328   0.710  1.00  0.00           C  
HETATM   20  C   UNL     1       7.231  -0.408   0.617  1.00  0.00           C  
HETATM   21  C   UNL     1       6.943   0.846   0.055  1.00  0.00           C  
HETATM   22  C   UNL     1       5.646   1.110  -0.388  1.00  0.00           C  
HETATM   23  N   UNL     1       4.705   0.194  -0.284  1.00  0.00           N  
HETATM   24  C   UNL     1       7.997   1.870  -0.066  1.00  0.00           C  
HETATM   25  O   UNL     1       9.123   1.632   0.322  1.00  0.00           O  
HETATM   26  O   UNL     1       7.711   3.071  -0.607  1.00  0.00           O  
HETATM   27  N   UNL     1       2.397  -0.375  -0.541  1.00  0.00           N  
HETATM   28  C   UNL     1       1.186   0.012  -0.896  1.00  0.00           C  
HETATM   29  C   UNL     1       0.099  -0.820  -0.739  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.363  -3.304   0.039  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.382  -4.521   0.051  1.00  0.00           O  
HETATM   32  N   UNL     1      -4.469  -2.578   0.050  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.784  -3.223   0.079  1.00  0.00           C  
HETATM   34  H   UNL     1      -4.940   6.968   0.950  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.198   5.730   0.718  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.945   5.504   1.962  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.468   5.582  -1.052  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.215   5.356   0.192  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.083   3.838  -1.521  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.566   1.426  -1.490  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.544   0.882   1.507  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.072   3.295   1.453  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.664  -4.071   0.141  1.00  0.00           H  
HETATM   44  H   UNL     1       1.781  -3.443   0.610  1.00  0.00           H  
HETATM   45  H   UNL     1       4.113  -2.825   0.652  1.00  0.00           H  
HETATM   46  H   UNL     1       6.410  -2.302   1.138  1.00  0.00           H  
HETATM   47  H   UNL     1       8.225  -0.641   0.969  1.00  0.00           H  
HETATM   48  H   UNL     1       5.412   2.071  -0.822  1.00  0.00           H  
HETATM   49  H   UNL     1       8.434   3.710  -0.665  1.00  0.00           H  
HETATM   50  H   UNL     1       1.045   0.996  -1.320  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.887  -0.494  -1.032  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.126  -3.396  -0.942  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.711  -4.175   0.605  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.494  -2.576   0.595  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3   37   38                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    6   40                                       
CONECT    6    5    5    7    9                                       
CONECT    7    8    8    6   41                                       
CONECT    8    3    7    7   42                                       
CONECT    9    6   10   10                                            
CONECT   10    9    9   11   32                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   30                                       
CONECT   13   14   12   12   43                                       
CONECT   14   29   29   15   13                                       
CONECT   15   16   16   14   44                                       
CONECT   16   27   17   15   15                                       
CONECT   17   16   18   45                                            
CONECT   18   17   23   23   19                                       
CONECT   19   18   20   20   46                                       
CONECT   20   19   19   21   47                                       
CONECT   21   22   22   20   24                                       
CONECT   22   23   21   21   48                                       
CONECT   23   18   18   22                                            
CONECT   24   21   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   49                                                 
CONECT   27   28   28   16                                            
CONECT   28   27   27   29   50                                       
CONECT   29   28   14   14   51                                       
CONECT   30   12   32   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   10   30   33                                            
CONECT   33   32   52   53   54                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   33                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
