@MOLECULE (2e,3e)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-butenoic acid 46 46 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.1903 -2.6220 1.4518 N.ar 1 UNL111111111 -0.3577 2 C 0.1366 -2.6389 0.6190 C.ar 1 UNL111111111 0.1404 3 C -0.6347 -3.9055 0.4898 C.3 1 UNL111111111 -0.4358 4 C -0.2252 -1.4796 -0.1060 C.ar 1 UNL111111111 0.1408 5 O -1.3212 -1.6154 -0.8952 O.3 1 UNL111111111 -0.4929 6 C 0.5281 -0.3065 -0.0080 C.ar 1 UNL111111111 -0.0621 7 C 0.1916 0.8849 -0.8613 C.3 1 UNL111111111 -0.1305 8 C 1.5983 -0.3041 0.8918 C.ar 1 UNL111111111 -0.0803 9 C 1.8903 -1.4825 1.5960 C.ar 1 UNL111111111 -0.0083 10 C 2.4759 0.8920 1.1183 C.3 1 UNL111111111 0.0061 11 O 3.8528 0.5749 0.8695 O.3 1 UNL111111111 -0.3447 12 P 4.4283 0.3190 -0.6143 P.3 1 UNL111111111 0.3435 13 O 3.6562 0.7579 -1.7612 O.2 1 UNL111111111 -0.2522 14 O 5.8535 1.0085 -0.5106 O.3 1 UNL111111111 -0.2469 15 O 4.8283 -1.2263 -0.5170 O.3 1 UNL111111111 -0.3762 16 N -0.5211 1.8665 -0.0543 N.2 1 UNL111111111 -0.3466 17 CA -1.7912 2.0028 -0.1194 C.2 1 UNL111111111 0.1731 18 C -2.4072 3.0085 0.8166 C.2 1 UNL111111111 0.6319 19 O -3.1318 2.7727 1.7461 O.2 1 UNL111111111 -0.4979 20 OXT -2.0925 4.2672 0.4456 O.3 1 UNL111111111 -0.5141 21 C -2.7633 1.3094 -0.9539 C.2 1 UNL111111111 -0.4847 22 C -3.7701 0.5879 -0.4204 C.2 1 UNL111111111 0.2158 23 O -4.6076 0.0023 -1.3023 O.2 1 UNL111111111 -0.3271 24 C -5.5038 -0.9668 -0.7502 C.3 1 UNL111111111 -0.0450 25 C -4.7571 -2.3006 -0.5698 C.3 1 UNL111111111 -0.1378 26 N -3.9176 -2.1882 0.6412 N.3 1 UNL111111111 -0.6581 27 H -1.4540 -3.9451 1.2228 H 1 UNL111111111 0.1592 28 H -1.0696 -4.0208 -0.5141 H 1 UNL111111111 0.1674 29 H 0.0014 -4.7866 0.6818 H 1 UNL111111111 0.1791 30 H -1.6651 -0.7327 -1.2111 H 1 UNL111111111 0.3473 31 H 1.1314 1.3892 -1.2277 H 1 UNL111111111 0.2061 32 H -0.3390 0.5806 -1.7939 H 1 UNL111111111 0.1395 33 H 2.7241 -1.5267 2.3085 H 1 UNL111111111 0.1828 34 H 2.1280 1.8059 0.5897 H 1 UNL111111111 0.1622 35 H 2.5445 1.1450 2.2049 H 1 UNL111111111 0.1494 36 H 6.3645 0.5821 0.2798 H 1 UNL111111111 0.3071 37 H 4.0077 -1.7627 -0.2226 H 1 UNL111111111 0.3243 38 HXT -2.4777 4.9593 1.0431 H 1 UNL111111111 0.3494 39 H -2.6541 1.4375 -2.0298 H 1 UNL111111111 0.1963 40 H -3.9576 0.4308 0.6460 H 1 UNL111111111 0.1815 41 H -5.9427 -0.6049 0.1956 H 1 UNL111111111 0.1500 42 H -6.2805 -1.0247 -1.5339 H 1 UNL111111111 0.1428 43 H -5.4943 -3.1240 -0.4704 H 1 UNL111111111 0.1371 44 H -4.1543 -2.5146 -1.4800 H 1 UNL111111111 0.1426 45 H -3.9956 -2.9910 1.2404 H 1 UNL111111111 0.2549 46 H -2.9468 -2.0410 0.4096 H 1 UNL111111111 0.2685 @BOND 1 1 2 ar 2 1 9 ar 3 2 3 1 4 2 4 ar 5 3 27 1 6 3 28 1 7 3 29 1 8 4 5 1 9 4 6 ar 10 5 30 1 11 6 7 1 12 6 8 ar 13 7 16 1 14 7 31 1 15 7 32 1 16 8 9 ar 17 8 10 1 18 9 33 1 19 10 11 1 20 10 34 1 21 10 35 1 22 11 12 1 23 12 13 2 24 12 14 1 25 12 15 1 26 14 36 1 27 15 37 1 28 16 17 2 29 17 18 1 30 17 21 1 31 18 19 2 32 18 20 1 33 20 38 1 34 21 22 2 35 21 39 1 36 22 23 1 37 22 40 1 38 23 24 1 39 24 25 1 40 24 41 1 41 24 42 1 42 25 26 1 43 25 43 1 44 25 44 1 45 26 45 1 46 26 46 1