HMDB0000812 RDKit 3D N-Acetyl-L-aspartic acid 21 20 0 0 0 0 0 0 0 0999 V2000 -3.1013 -1.1183 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7454 -0.8489 -0.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -1.4916 -1.8638 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8299 -0.0320 -0.2027 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1205 0.8115 0.3627 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1603 0.2285 1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 -0.7760 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9145 -1.3058 1.4299 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0137 -1.2013 -0.6555 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 1.8704 -0.5627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 2.0619 -1.7099 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7407 2.6464 -0.1351 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9436 -1.4430 0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6006 -1.9194 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7182 -0.2098 -0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0277 -0.2374 -1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4879 1.5255 1.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6337 -0.2573 2.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 1.0646 1.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2175 -2.1903 -0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5576 2.8222 -0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 5 10 1 0 10 11 2 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 5 17 1 1 6 18 1 0 6 19 1 0 9 20 1 0 12 21 1 0 M END