HMDB0254296 RDKit 3D mafenide 22 22 0 0 0 0 0 0 0 0999 V2000 -3.6271 0.6001 -0.3468 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9387 -0.4305 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4624 -0.3365 0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8351 0.6473 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5323 0.7151 -0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3087 -0.2230 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -0.1480 -0.1874 S 0 0 0 0 0 6 0 0 0 0 0 0 3.6661 0.8185 1.0874 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 -1.5272 -0.0557 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3581 0.4320 -1.5375 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -1.2149 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6561 -1.2659 0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5969 1.5072 0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3823 0.6814 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2334 -0.3886 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2433 -1.4117 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 1.3904 -1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0305 1.4900 -1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9521 0.9472 1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 1.7518 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 -1.9764 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1229 -2.0582 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 7 10 2 0 6 11 1 0 11 12 2 0 12 3 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 4 17 1 0 5 18 1 0 8 19 1 0 8 20 1 0 11 21 1 0 12 22 1 0 M END