HMDB0254398 RDKit 3D Mecoprop 25 25 0 0 0 0 0 0 0 0999 V2000 -1.7663 -1.3880 1.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -0.2620 0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 0.2972 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 1.3422 -0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5047 2.0635 -1.4750 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8065 1.8164 -1.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5847 1.2642 -1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6012 0.2193 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5279 -0.4059 0.3027 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8452 -0.1107 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4288 -1.3264 -0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 0.2828 1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1425 0.3162 2.2819 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9941 0.6145 1.0212 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -1.2183 2.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7893 -1.4891 1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5805 -2.3661 0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9441 -0.1023 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 2.6286 -2.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 1.6493 -1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9358 0.7204 -0.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9241 -1.4093 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 -2.2311 -0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5101 -1.1676 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6879 0.2621 1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 8 2 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 6 19 1 0 7 20 1 0 10 21 1 0 11 22 1 0 11 23 1 0 11 24 1 0 14 25 1 0 M END