HMDB0028976 RDKit 3D Methionyl-Isoleucine 39 38 0 0 0 0 0 0 0 0999 V2000 -4.7228 -0.6677 -0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 -0.9956 0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2762 -0.5503 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9278 -1.2437 -1.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2529 -0.6014 1.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0594 -0.1759 0.6118 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 0.9958 1.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0379 1.6638 1.9682 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9965 1.4776 0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3181 2.7076 1.3576 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1047 1.6515 -0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5279 2.1502 -1.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7423 0.9313 -0.5099 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 -0.5901 -1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1352 -1.8992 1.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0032 -2.5134 1.8196 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2309 -2.4867 2.3794 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8756 0.4185 -0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4629 -1.0969 -1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6425 -1.1860 -0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5553 -2.1125 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8502 -0.4977 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4654 0.5503 -0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2719 -0.6501 -2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8598 -1.4574 -1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4867 -2.2123 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 0.1433 1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 -0.7710 -0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7505 0.6821 0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8238 3.4833 0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8154 2.6563 2.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 0.6654 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3829 2.3976 -1.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 3.1265 -0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6876 2.2556 -2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5929 -0.8439 -1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9028 -0.4728 -2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2871 -1.4197 -0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3328 -3.5123 2.3635 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 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 5 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 17 39 1 0 M END