HMDB0001004 RDKit 3D Oxoamide 26 26 0 0 0 0 0 0 0 0999 V2000 5.0257 0.1865 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 -0.6136 0.3177 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5459 -0.1073 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4076 1.0272 -0.4156 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3639 -0.9192 0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1291 -0.1368 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1187 -0.8780 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1046 -2.0302 0.8184 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3839 -0.2253 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 1.0403 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6576 1.6519 -0.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8015 0.9228 -0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7421 -0.3185 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 -0.8926 0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7921 -0.4776 -0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3387 0.7630 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7819 0.9312 -0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0343 -1.5528 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3365 -1.0875 1.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4093 -1.9006 -0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1857 0.8245 0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1703 0.0894 -1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5178 1.5436 -0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 2.6471 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7492 1.4100 -0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5654 -1.8977 0.7092 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 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 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 14 26 1 0 M END