HMDB0251500 RDKit 3D Divinyl sulfone 13 12 0 0 0 0 0 0 0 0999 V2000 1.9591 0.6761 0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6229 -0.3463 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.6240 -0.7795 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.1524 -0.4058 -2.2768 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 -2.0427 -0.4196 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1304 0.4654 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -0.0105 0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9807 0.8657 0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 1.3398 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -1.0452 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9076 1.5391 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -1.0566 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8856 0.6449 1.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 2 0 3 6 1 0 6 7 2 3 1 8 1 0 1 9 1 0 2 10 1 0 6 11 1 0 7 12 1 0 7 13 1 0 M END