HMDB0003640 RDKit 3D Beta-Leucine 22 21 0 0 0 0 0 0 0 0999 V2000 -1.9699 -0.6975 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 0.4086 0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2701 1.6383 -0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3984 0.0211 0.5852 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5225 -1.0663 1.5154 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 -0.3267 -0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4565 -0.6671 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 -1.8247 -0.5148 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3463 0.3232 0.0427 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5651 -0.3476 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 -1.6330 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7549 -0.9349 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3595 0.6966 1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 2.1073 -0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8402 1.3803 -1.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8643 2.4256 0.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9219 0.9243 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3627 -1.9528 0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1471 -0.9240 2.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5934 -1.2235 -1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 0.4610 -1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9974 1.2117 0.3982 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 1 0 7 8 2 0 7 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 3 16 1 0 4 17 1 1 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 9 22 1 0 M END