HMDB0000821 RDKit 3D Phenylacetylglycine 25 25 0 0 0 0 0 0 0 0999 V2000 -4.5919 0.0258 0.8181 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4473 0.1087 -0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5568 0.2019 -1.2204 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0971 0.1066 -0.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1257 -0.0007 0.0768 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 -0.0217 -0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3559 0.0512 -1.4521 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3035 -0.1297 0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6503 -0.1316 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3296 1.0679 0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5934 1.0816 -0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2396 -0.0761 -0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5808 -1.2758 -0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3141 -1.2783 -0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0861 1.0519 -1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9410 1.0225 -1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9257 -0.8149 -1.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 -0.0639 1.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1256 -1.1242 1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1736 0.6243 1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 1.9708 0.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0898 2.0436 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2288 -0.0099 -1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0496 -2.2143 -1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7706 -2.2159 -0.0192 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 2 0 6 8 1 0 8 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 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 8 19 1 0 8 20 1 0 10 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 14 25 1 0 M END