COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.625  -0.973   0.174  1.00  0.00           C  
HETATM    2  C   UNL     1       1.597  -2.482   0.429  1.00  0.00           C  
HETATM    3  C   UNL     1       0.141  -2.950   0.519  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.588  -2.565  -0.772  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.476  -1.053  -0.981  1.00  0.00           C  
HETATM    6  C   UNL     1       3.074  -0.507   0.023  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.532   0.716  -0.841  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.271   1.033  -0.106  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.735   1.692   1.195  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.105   1.128   1.583  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.087   1.362   0.431  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.477   0.997  -2.011  1.00  0.00           C  
HETATM   13  O   UNL     1       0.903  -0.680  -1.025  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.965  -2.933  -0.670  1.00  0.00           O  
HETATM   15  O   UNL     1       2.268  -2.771   1.657  1.00  0.00           O  
HETATM   16  O   UNL     1       0.104  -4.369   0.684  1.00  0.00           O  
HETATM   17  O   UNL     1       3.108   0.916  -0.100  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.243   1.262  -1.128  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.580   1.791   2.757  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.793   1.415   2.233  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.021   0.298  -3.171  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.119  -0.373   0.099  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.350   0.776   0.752  1.00  0.00           O  
HETATM   24  O   UNL     1       4.959   1.197  -1.680  1.00  0.00           O  
HETATM   25  O   UNL     1       4.375   2.903  -0.161  1.00  0.00           O  
HETATM   26  O   UNL     1       5.352   0.731   0.597  1.00  0.00           O  
HETATM   27  S   UNL     1       4.508   1.491  -0.256  1.00  0.00           S  
HETATM   28  H   UNL     1       1.162  -0.453   1.013  1.00  0.00           H  
HETATM   29  H   UNL     1       2.097  -2.999  -0.390  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.344  -2.471   1.370  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.134  -3.084  -1.615  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.956  -0.779  -1.920  1.00  0.00           H  
HETATM   33  H   UNL     1       3.647  -0.810   0.899  1.00  0.00           H  
HETATM   34  H   UNL     1       3.510  -0.959  -0.869  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.445  -0.361  -0.694  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.316   1.461  -0.410  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.811   2.770   1.050  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.018   0.059   1.778  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.212   2.433   0.270  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.482   0.659  -1.755  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.495   2.067  -2.215  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.489  -2.719  -1.454  1.00  0.00           H  
HETATM   43  H   UNL     1       2.289  -3.711   1.882  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.789  -4.734   0.749  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.002   1.690   3.526  1.00  0.00           H  
HETATM   46  H   UNL     1       0.099   1.740   2.052  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.574   0.431  -3.953  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.760   1.139   1.549  1.00  0.00           H  
HETATM   49  H   UNL     1       5.846   1.524  -1.887  1.00  0.00           H  
CONECT    1   13    2    6   28                                       
CONECT    2    3    1   15   29                                       
CONECT    3    4   16    2   30                                       
CONECT    4    5   14    3   31                                       
CONECT    5    4   13   22   32                                       
CONECT    6    1   17   33   34                                       
CONECT    7   12   18   11   35                                       
CONECT    8   18   22    9   36                                       
CONECT    9    8   10   20   37                                       
CONECT   10   11    9   19   38                                       
CONECT   11    7   23   10   39                                       
CONECT   12   21    7   40   41                                       
CONECT   13    5    1                                                 
CONECT   14    4   42                                                 
CONECT   15    2   43                                                 
CONECT   16    3   44                                                 
CONECT   17   27    6                                                 
CONECT   18    7    8                                                 
CONECT   19   10   45                                                 
CONECT   20    9   46                                                 
CONECT   21   12   47                                                 
CONECT   22    5    8                                                 
CONECT   23   11   48                                                 
CONECT   24   27   49                                                 
CONECT   25   27   27                                                 
CONECT   26   27   27                                                 
CONECT   27   26   26   25   25                                       
CONECT   27   17   24                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
