HMDB0011756 RDKit 3D N-Acetylleucine 27 26 0 0 0 0 0 0 0 0999 V2000 3.1780 -1.0619 1.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4051 -1.0067 0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7874 -1.8353 -0.3038 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3218 -0.1113 0.3682 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6574 -0.1473 -0.8843 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7519 -0.6095 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7564 0.1372 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5373 0.2053 1.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1002 -0.5832 -0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7822 1.2169 -1.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4003 2.1167 -0.8948 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 1.4057 -2.7446 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1739 -0.6227 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6692 -0.5334 2.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3173 -2.1106 2.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1004 0.5259 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 -0.8844 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 -1.7110 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0606 -0.5911 -2.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8617 1.1780 -0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8905 -0.6390 1.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1189 1.1682 1.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5067 0.1132 1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6384 -0.1682 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7171 -0.5248 0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8938 -1.6596 -0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4248 0.8558 -3.5721 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 1 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 6 6 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 12 27 1 0 M END