HMDB0094704 RDKit 3D N-Propionylmethionine 28 27 0 0 0 0 0 0 0 0999 V2000 3.5396 0.9401 0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 -0.2358 -0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0597 0.1642 -1.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 0.6411 -2.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 0.0937 -1.4984 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 -0.4032 -0.4000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4736 -0.0925 -0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2987 -0.5976 0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0646 -0.2338 0.2414 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4296 1.5154 0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1951 -1.8370 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 -2.5454 -1.0628 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -2.4975 0.9477 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8866 1.5667 1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9935 1.5655 -0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2976 0.4984 1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -0.5576 0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -1.0263 -0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1023 1.6247 -2.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 0.1907 0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6259 0.9728 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7275 -0.6531 -1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -1.7102 0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9649 -0.1275 1.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4036 1.9290 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6748 2.0054 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4712 1.6299 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4869 -2.8204 1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 2 3 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 6 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 4 19 1 0 6 20 1 1 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 10 25 1 0 10 26 1 0 10 27 1 0 13 28 1 0 M END