COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.821   3.425   0.509  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.258   2.105   0.836  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.616   1.073   0.226  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.587   1.327  -0.668  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.986  -0.238   0.502  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.992  -0.492   1.383  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.628  -0.651   2.756  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.326  -1.289  -0.123  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.685  -2.574   0.143  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.964  -3.603  -0.536  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.302  -1.027  -1.020  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.933   0.278  -1.288  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.815   0.559  -2.259  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.541   0.605  -1.536  1.00  0.00           N1+
HETATM   15  C   UNL     1       0.142  -0.507  -1.396  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.125   1.769  -1.057  1.00  0.00           C  
HETATM   17  C   UNL     1       1.048   1.888  -0.376  1.00  0.00           C  
HETATM   18  C   UNL     1       1.835   0.737  -0.181  1.00  0.00           C  
HETATM   19  C   UNL     1       3.053   0.775   0.508  1.00  0.00           C  
HETATM   20  C   UNL     1       1.366  -0.494  -0.710  1.00  0.00           C  
HETATM   21  C   UNL     1       2.133  -1.657  -0.534  1.00  0.00           C  
HETATM   22  C   UNL     1       3.313  -1.588   0.140  1.00  0.00           C  
HETATM   23  C   UNL     1       3.773  -0.377   0.666  1.00  0.00           C  
HETATM   24  O   UNL     1       4.956  -0.343   1.334  1.00  0.00           O  
HETATM   25  S   UNL     1       6.160  -0.061   0.446  1.00  0.00           S  
HETATM   26  O   UNL     1       7.310  -0.259   1.256  1.00  0.00           O  
HETATM   27  O   UNL     1       5.935  -0.763  -0.769  1.00  0.00           O  
HETATM   28  N   UNL     1       6.125   1.551   0.069  1.00  0.00           N  
HETATM   29  H   UNL     1      -4.945   3.594  -0.561  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.415   4.152   1.063  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.770   3.536   0.775  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.296   2.345  -0.880  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.936  -1.487   2.854  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.150   0.261   3.113  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.522  -0.848   3.348  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.086  -3.483  -1.612  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.907  -3.535  -0.280  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.349  -4.577  -0.234  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.789  -1.843  -1.507  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.779  -0.230  -3.009  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.990   1.517  -2.747  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.237  -1.431  -1.808  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.733   2.648  -1.211  1.00  0.00           H  
HETATM   44  H   UNL     1       1.369   2.846   0.006  1.00  0.00           H  
HETATM   45  H   UNL     1       3.422   1.707   0.912  1.00  0.00           H  
HETATM   46  H   UNL     1       1.789  -2.601  -0.931  1.00  0.00           H  
HETATM   47  H   UNL     1       3.902  -2.484   0.274  1.00  0.00           H  
HETATM   48  H   UNL     1       6.953   2.029  -0.094  1.00  0.00           H  
HETATM   49  H   UNL     1       5.276   2.017   0.011  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    3    1                                                 
CONECT    3    5    2    4    4                                       
CONECT    4    3    3   12   32                                       
CONECT    5    6    8    8    3                                       
CONECT    6    7    5                                                 
CONECT    7    6   33   34   35                                       
CONECT    8    9    5    5   11                                       
CONECT    9   10    8                                                 
CONECT   10    9   36   37   38                                       
CONECT   11    8   12   12   39                                       
CONECT   12   11   11    4   13                                       
CONECT   13   12   14   40   41                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   20   42                                       
CONECT   16   14   17   17   43                                       
CONECT   17   16   16   18   44                                       
CONECT   18   20   17   19   19                                       
CONECT   19   18   18   23   45                                       
CONECT   20   15   21   21   18                                       
CONECT   21   20   20   22   46                                       
CONECT   22   21   23   23   47                                       
CONECT   23   22   22   19   24                                       
CONECT   24   23   25                                                 
CONECT   25   24   28   27   27                                       
CONECT   25   26   26                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   48   49                                            
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
