HMDB0029074 RDKit 3D Threonylvaline 33 32 0 0 0 0 0 0 0 0999 V2000 -2.7633 -1.5936 0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4662 -0.3334 -0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6903 0.4926 -0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3531 0.5011 0.0049 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1573 -0.3575 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8588 0.1563 -0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 1.1602 -1.5778 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -0.5515 -0.8355 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0888 0.3610 -1.5585 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -0.4999 0.6847 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9454 0.2561 0.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 0.4876 1.3119 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7345 0.6046 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 -0.1884 2.1095 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 1.7016 2.1741 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7118 -1.5085 0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 -1.8973 0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9977 -2.4002 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0486 -0.6000 -1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9506 1.1152 -0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5135 -0.1779 -1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5152 1.2155 -1.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2264 1.4293 -0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1691 -1.1915 0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1925 -1.5119 -1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5853 1.0089 -2.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7873 -0.2214 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6422 -1.4025 1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 -0.4535 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8769 0.8446 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9135 0.9830 -0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 1.2456 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5395 1.3255 2.9404 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 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 4 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 6 5 24 1 0 8 25 1 6 9 26 1 0 9 27 1 0 10 28 1 1 11 29 1 0 11 30 1 0 11 31 1 0 12 32 1 0 15 33 1 0 M END