COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.653  -0.362   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      10.391   0.504   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1       9.154  -0.396   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1       7.893   0.470   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1       6.656  -0.431   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1       5.395   0.435   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       4.158  -0.465   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       2.896   0.400   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1       1.660  -0.500   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       0.398   0.366   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.839  -0.535   0.000  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.100   0.331   0.001  1.00  0.00           C  
HETATM   13  S   UNL     1      -3.563  -0.734   0.000  1.00  0.00           S  
HETATM   14  C   UNL     1      -4.832   0.489   0.001  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.664   1.833  -0.004  1.00  0.00           N  
HETATM   16  N   UNL     1      -5.944   2.404  -0.002  1.00  0.00           N  
HETATM   17  N   UNL     1      -6.821   1.463   0.005  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.205   0.265   0.001  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.865  -1.043   0.000  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.199  -2.061  -0.001  1.00  0.00           O  
HETATM   21  O   UNL     1      -8.212  -1.119   0.000  1.00  0.00           O  
HETATM   22  H   UNL     1      12.534   0.280   0.000  1.00  0.00           H  
HETATM   23  H   UNL     1      11.661  -0.991   0.889  1.00  0.00           H  
HETATM   24  H   UNL     1      11.661  -0.990  -0.891  1.00  0.00           H  
HETATM   25  H   UNL     1      10.382   1.133   0.891  1.00  0.00           H  
HETATM   26  H   UNL     1      10.382   1.134  -0.889  1.00  0.00           H  
HETATM   27  H   UNL     1       9.163  -1.025  -0.891  1.00  0.00           H  
HETATM   28  H   UNL     1       9.163  -1.026   0.889  1.00  0.00           H  
HETATM   29  H   UNL     1       7.884   1.098   0.891  1.00  0.00           H  
HETATM   30  H   UNL     1       7.884   1.100  -0.889  1.00  0.00           H  
HETATM   31  H   UNL     1       6.665  -1.059  -0.891  1.00  0.00           H  
HETATM   32  H   UNL     1       6.665  -1.061   0.889  1.00  0.00           H  
HETATM   33  H   UNL     1       5.386   1.064   0.891  1.00  0.00           H  
HETATM   34  H   UNL     1       5.386   1.065  -0.889  1.00  0.00           H  
HETATM   35  H   UNL     1       4.166  -1.094  -0.891  1.00  0.00           H  
HETATM   36  H   UNL     1       4.167  -1.095   0.889  1.00  0.00           H  
HETATM   37  H   UNL     1       2.888   1.029   0.891  1.00  0.00           H  
HETATM   38  H   UNL     1       2.888   1.030  -0.889  1.00  0.00           H  
HETATM   39  H   UNL     1       1.668  -1.129  -0.890  1.00  0.00           H  
HETATM   40  H   UNL     1       1.668  -1.130   0.890  1.00  0.00           H  
HETATM   41  H   UNL     1       0.389   0.994   0.891  1.00  0.00           H  
HETATM   42  H   UNL     1       0.389   0.996  -0.889  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.830  -1.163  -0.890  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.830  -1.164   0.890  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.109   0.960   0.891  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.109   0.961  -0.889  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.819   2.310  -0.008  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.602  -2.004  -0.001  1.00  0.00           H  
CONECT    1    2   22   23   24                                       
CONECT    2    1    3   25   26                                       
CONECT    3    2    4   27   28                                       
CONECT    4    3    5   29   30                                       
CONECT    5    4    6   31   32                                       
CONECT    6    5    7   33   34                                       
CONECT    7    6    8   35   36                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   10   39   40                                       
CONECT   10    9   11   41   42                                       
CONECT   11   10   12   43   44                                       
CONECT   12   11   13   45   46                                       
CONECT   13   12   14                                                 
CONECT   14   13   18   18   15                                       
CONECT   15   14   16   47                                            
CONECT   16   15   17   17                                            
CONECT   17   18   16   16                                            
CONECT   18   19   14   14   17                                       
CONECT   19   20   20   18   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   48                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   21                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
