HMDB0034251 RDKit 3D N-Benzoylaspartic acid 28 28 0 0 0 0 0 0 0 0999 V2000 -4.5579 -0.5909 -0.6051 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0014 0.5282 -0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7424 1.6534 -0.9751 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5857 0.7345 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 -0.4895 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4419 -0.0452 0.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6473 -0.6191 -0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4274 -1.5408 -1.0993 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -0.2324 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3872 0.7662 0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6956 1.0991 0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7355 0.4963 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3736 -0.5010 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0631 -0.8650 -0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3371 -1.0469 1.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -1.0592 2.4553 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6014 -1.5737 1.5713 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3197 2.4846 -1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0267 1.2276 -1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5358 1.4502 0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8174 -1.2972 -0.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 0.7199 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 1.2592 1.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 1.8987 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7763 0.7570 0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 -1.0164 -1.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7796 -1.6544 -1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8398 -2.5432 1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 5 15 1 0 15 16 2 0 15 17 1 0 14 9 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 17 28 1 0 M END