HMDB0060636 RDKit 3D Malathion dicarboxylic acid 26 25 0 0 0 0 0 0 0 0999 V2000 -3.1232 0.9852 1.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4343 1.5531 0.1509 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1842 0.5084 -0.3731 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8182 0.9428 -1.9813 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -1.0505 -0.4198 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8701 -0.9814 -1.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3734 0.6494 0.9661 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -0.2944 0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5616 0.1854 -0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0156 1.5936 -0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6556 2.0759 -1.4899 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7222 2.2959 0.6181 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5735 -1.7531 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8135 -2.3153 -0.6137 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0819 -2.5117 1.5225 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3111 1.7872 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5076 0.2035 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0623 0.5723 0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2532 0.0455 -1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7361 -1.6648 -1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4729 -1.3679 -2.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5524 -0.1721 1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9921 0.1013 -1.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4916 -0.4297 -0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3314 2.1744 1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -3.1331 2.0627 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 3 5 1 0 5 6 1 0 3 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 8 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 6 19 1 0 6 20 1 0 6 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 12 25 1 0 15 26 1 0 M END