@MOLECULE {[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]oxy}acetic acid 36 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -1.4790 -3.3767 0.1305 N.ar 1 UNL1 -0.3551 2 C -0.1618 -3.3469 0.3684 C.ar 1 UNL1 0.1407 3 C 0.4755 -4.5180 1.0287 C.3 1 UNL1 -0.4311 4 C 0.6169 -2.2163 -0.0020 C.ar 1 UNL1 0.1841 5 O 1.9239 -2.2887 0.3131 O.3 1 UNL1 -0.4578 6 C 0.0196 -1.1313 -0.6500 C.ar 1 UNL1 -0.1077 7 C 0.8586 0.0634 -0.9878 C.3 1 UNL1 -0.1457 8 N 1.1739 0.7297 0.3078 N.4 1 UNL1 -0.3600 9 O 1.7698 1.9740 -0.0297 O.3 1 UNL1 -0.1938 10 C 3.0135 2.0706 0.6397 C.3 1 UNL1 -0.1355 11 C 4.0398 1.1693 -0.0005 C.2 1 UNL1 0.6312 12 O 3.9447 0.0336 -0.3824 O.2 1 UNL1 -0.5113 13 O 5.2183 1.8360 -0.0971 O.3 1 UNL1 -0.5712 14 C -1.3542 -1.1995 -0.9135 C.ar 1 UNL1 -0.1032 15 C -2.0613 -2.3303 -0.4898 C.ar 1 UNL1 -0.0219 16 C -2.0886 -0.1050 -1.6294 C.3 1 UNL1 0.0006 17 O -1.9137 1.1633 -0.9844 O.3 1 UNL1 -0.3268 18 P -2.7539 1.6163 0.3097 P.3 1 UNL1 0.3446 19 O -4.1690 1.3210 0.3913 O.2 1 UNL1 -0.2326 20 O -1.7980 1.1172 1.4982 O.3 1 UNL1 -0.4358 21 O -2.3802 3.1612 0.2756 O.3 1 UNL1 -0.2241 22 H 1.0480 -5.1133 0.2987 H 1 UNL1 0.1685 23 H 1.1845 -4.2007 1.8099 H 1 UNL1 0.1713 24 H -0.2668 -5.1880 1.4896 H 1 UNL1 0.1711 25 H 2.3939 -1.4079 0.1965 H 1 UNL1 0.3700 26 H 1.8219 -0.2342 -1.4715 H 1 UNL1 0.1698 27 H 0.3583 0.7462 -1.7105 H 1 UNL1 0.1605 28 H 0.3092 1.0123 0.7782 H 1 UNL1 0.2762 29 H 3.2654 3.1467 0.5281 H 1 UNL1 0.1784 30 H 2.9183 1.8248 1.7186 H 1 UNL1 0.1767 31 H 5.9573 1.3039 -0.4784 H 1 UNL1 0.3594 32 H -3.1429 -2.4228 -0.6411 H 1 UNL1 0.1779 33 H -1.6140 0.1248 -2.6161 H 1 UNL1 0.1472 34 H -3.1510 -0.3644 -1.8263 H 1 UNL1 0.1450 35 H -2.0889 0.1968 1.8177 H 1 UNL1 0.3340 36 H -1.3460 3.2259 0.2848 H 1 UNL1 0.3064 @BOND 1 33 16 1 2 34 16 1 3 27 7 1 4 16 17 1 5 16 14 1 6 26 7 1 7 7 6 1 8 7 8 1 9 17 18 1 10 14 6 ar 11 14 15 ar 12 6 4 ar 13 32 15 1 14 15 1 ar 15 31 13 1 16 12 11 2 17 13 11 1 18 9 8 1 19 9 10 1 20 4 5 1 21 4 2 ar 22 11 10 1 23 1 2 ar 24 25 5 1 25 21 36 1 26 21 18 1 27 22 3 1 28 8 28 1 29 18 19 2 30 18 20 1 31 2 3 1 32 29 10 1 33 10 30 1 34 3 24 1 35 3 23 1 36 20 35 1