HMDB0029137 RDKit 3D Valylthreonine 33 32 0 0 0 0 0 0 0 0999 V2000 3.9106 -0.1566 -0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 0.2964 -0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1944 1.1895 0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5411 -0.9388 -0.5986 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0032 -1.6822 -1.7835 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1412 -0.5604 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 -0.8401 -1.9736 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6767 0.0986 0.1135 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0515 0.4632 -0.1468 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2397 1.9456 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 2.6744 0.3819 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5128 2.4312 -0.1739 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9441 -0.2018 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7819 -1.6964 0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5243 0.2685 2.1326 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0308 -0.9839 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3404 -0.3694 -1.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4757 0.7120 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 0.8670 -1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 1.8092 0.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0579 0.6134 1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3992 1.9370 0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6951 -1.5435 0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0019 -0.9625 -2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9788 -2.0047 -1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2529 0.3170 1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3884 0.1780 -1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1595 2.0640 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9995 0.0829 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -2.1480 -0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5213 -2.0998 1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7819 -1.9859 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 0.2263 2.8141 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 10 11 2 0 10 12 1 0 9 13 1 0 13 14 1 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 1 5 24 1 0 5 25 1 0 8 26 1 0 9 27 1 6 12 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 M END