HMDB0005792
     RDKit          3D
Sulforaphane
 21 20  0  0  0  0  0  0  0  0999 V2000
   -3.5517    0.7832    0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4261   -0.5850    0.6229 S   0  0  0  0  0  4  0  0  0  0  0  0
   -3.0127   -1.8020   -0.1090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8413   -0.1489   -0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1148   -1.2853    0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4804   -1.0321   -0.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0657    0.1726    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3948    0.4935   -0.3759 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8591    1.6330   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5998    3.0695   -0.2629 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4488    1.1664   -0.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6029    0.4714    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2478    1.5890    1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4899    0.7686    0.3965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350    0.1118   -1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3022   -2.2441   -0.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2848   -1.3707    1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3928   -0.9254   -1.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0836   -1.9380   -0.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445    0.0083    1.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4383    1.0641   -0.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  2  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
M  END