HMDB0028900 RDKit 3D Isoleucyl-Alanine 32 31 0 0 0 0 0 0 0 0999 V2000 -2.7400 1.8487 -0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 0.8886 -0.4538 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8318 -0.2837 0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1442 -0.9611 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7798 -1.3921 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1916 -2.4114 1.1804 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5763 -0.9610 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0686 -1.3059 1.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3344 -0.1657 -0.2607 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6798 0.2822 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -0.3833 -0.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 1.7310 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8087 2.4442 -0.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9914 2.3433 0.0818 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8383 2.5315 -1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 1.2437 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6059 2.3862 0.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 0.5911 -1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6818 1.4750 -0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9051 -0.0408 1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3931 -0.7278 -1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1058 -2.0500 0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9805 -0.5940 0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -1.7974 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4109 -3.3202 0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7695 -2.3818 2.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9329 0.1176 -1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9401 -0.0484 1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6718 -0.3091 -0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.4453 -1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 0.1229 -1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2369 2.5730 1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 M END