HMDB0029120 RDKit 3D Valylalanine 29 28 0 0 0 0 0 0 0 0999 V2000 2.1469 -1.2238 1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5499 -0.3646 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7972 -1.2367 -1.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5401 0.7199 -0.3380 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5063 1.5123 0.8780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 0.2725 -0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0718 -0.4217 -1.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9306 0.6074 0.0055 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2729 0.1893 -0.3529 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7838 -0.7803 0.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1589 1.3336 -0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6947 2.4978 -0.3742 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4852 1.1280 -0.8825 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7594 -2.1657 1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2465 -0.6858 2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0913 -1.5380 0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 0.1230 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0439 -1.9904 -1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9015 -0.6171 -2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7770 -1.7466 -1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9276 1.4176 -1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 2.4626 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 1.0138 1.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8372 1.1961 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -0.4129 -1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7905 -0.4808 1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8637 -1.8104 0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 -0.8085 1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2081 1.8097 -0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 9 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 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 6 5 22 1 0 5 23 1 0 8 24 1 0 9 25 1 6 10 26 1 0 10 27 1 0 10 28 1 0 13 29 1 0 M END