@MOLECULE (2e)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-4-(methylsulfanyl)butanoic acid 43 43 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.7479 2.3487 -1.4280 C.2 1 MET111111111 0.6169 2 N -0.2905 1.6694 0.2699 N.2 1 MET111111111 -0.4143 3 O -1.4597 2.2529 -2.5859 O.2 1 MET111111111 -0.4519 4 P 0.3894 -2.5277 -0.8675 P.3 0 UNK0 0.3439 5 N 4.4675 0.1773 0.4024 N.ar 0 UNK0 -0.3637 6 C 3.9575 1.4138 0.3228 C.ar 0 UNK0 0.1473 7 C 2.5856 1.6540 0.6016 C.ar 0 UNK0 0.1768 8 O 2.2008 2.9436 0.4858 O.3 0 UNK0 -0.4711 9 C 1.7446 0.6087 0.9977 C.ar 0 UNK0 -0.0873 10 C 2.3055 -0.6720 1.0819 C.ar 0 UNK0 -0.1215 11 C 3.6596 -0.8391 0.7616 C.ar 0 UNK0 0.0073 12 CA -1.4034 1.4101 -0.2968 C.2 1 MET1 0.1849 13 CB -2.4249 0.3449 -0.0470 C.3 1 MET1 -0.3192 14 SD -5.0294 -0.2766 0.7566 S.3 1 MET1 0.0080 15 CE -4.3552 -1.2717 2.1231 C.3 1 MET1 -0.5053 16 CG -3.7158 0.9676 0.4728 C.3 1 MET1 -0.3228 17 C 4.8546 2.5354 -0.0633 C.3 0 UNK0 -0.4319 18 C 0.3035 0.8871 1.3426 C.3 0 UNK0 -0.1082 19 C 1.5360 -1.9032 1.4581 C.3 0 UNK0 0.0034 20 O -0.8337 -1.7943 -0.5757 O.2 0 UNK0 -0.3246 21 O 0.1497 -4.0237 -1.3413 O.3 0 UNK0 -0.2237 22 O 1.3339 -1.9733 -2.0261 O.3 0 UNK0 -0.3605 23 O 1.4129 -2.7983 0.3426 O.3 0 UNK0 -0.3073 24 OXT -2.4926 3.3743 -0.9480 O.3 1 MET1 -0.5541 25 H 1.2164 3.0109 0.3043 H 0 UNK0 0.3675 26 H 4.1301 -1.8296 0.7798 H 0 UNK0 0.1791 27 HB1 -2.5978 -0.2413 -0.9857 H 1 MET1 0.2065 28 HB2 -2.0381 -0.4147 0.6713 H 1 MET1 0.1826 29 HE1 -5.1333 -1.9751 2.4459 H 1 MET1 0.1706 30 HE2 -3.4842 -1.8596 1.8095 H 1 MET1 0.1713 31 HE3 -4.0769 -0.6588 2.9842 H 1 MET1 0.1567 32 HG1 -3.5324 1.5474 1.3958 H 1 MET1 0.1584 33 HG2 -4.1375 1.6906 -0.2569 H 1 MET1 0.1762 34 H 4.3878 3.1736 -0.8312 H 0 UNK0 0.1730 35 H 5.0673 3.1828 0.8021 H 0 UNK0 0.1674 36 H 5.8195 2.1782 -0.4553 H 0 UNK0 0.1718 37 H 0.2642 1.5121 2.2753 H 0 UNK0 0.1698 38 H 2.1288 -2.5635 2.1396 H 0 UNK0 0.1464 39 H 0.5735 -1.6899 1.9656 H 0 UNK0 0.1316 40 H 1.0744 -4.4388 -1.5590 H 0 UNK0 0.3082 41 H 1.3634 -0.9493 -1.9589 H 0 UNK0 0.3299 42 H -0.2530 -0.0499 1.5814 H 0 UNK0 0.1539 43 HXT -2.7356 4.0487 -1.6318 H 1 MET1 0.3584 @BOND 1 1 3 2 2 1 12 1 3 1 24 1 4 2 12 2 5 2 18 1 6 4 20 2 7 4 21 1 8 4 22 1 9 4 23 1 10 5 6 ar 11 5 11 ar 12 6 7 ar 13 6 17 1 14 7 8 1 15 7 9 ar 16 8 25 1 17 9 10 ar 18 9 18 1 19 10 11 ar 20 10 19 1 21 11 26 1 22 12 13 1 23 13 16 1 24 13 27 1 25 13 28 1 26 14 15 1 27 14 16 1 28 15 29 1 29 15 30 1 30 15 31 1 31 16 32 1 32 16 33 1 33 17 34 1 34 17 35 1 35 17 36 1 36 18 37 1 37 18 42 1 38 19 23 1 39 19 38 1 40 19 39 1 41 21 40 1 42 22 41 1 43 24 43 1