@MOLECULE (4s)-4-amino-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]pentanoic acid 46 46 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 3.2271 -0.3105 0.2020 C.3 1 UNL1 0.0445 2 C -3.4658 -1.1568 0.4109 C.ar 1 UNL1 0.0084 3 C 2.2246 -0.6262 -0.9451 C.3 1 UNL1 -0.1801 4 C 4.5259 0.2581 -0.4025 C.3 1 UNL1 -0.2799 5 C -0.0894 -1.3266 -1.3475 C.3 1 UNL1 -0.1108 6 C 5.4802 0.7099 0.7049 C.3 1 UNL1 -0.3404 7 C -2.0915 0.7148 -0.6142 C.3 1 UNL1 0.0083 8 C -3.0446 -4.7787 0.8396 C.3 1 UNL1 -0.4429 9 H 0.8405 -1.1931 0.4953 H 1 UNL1 0.2540 10 H 2.7158 -1.9387 1.3825 H 1 UNL1 0.2508 11 H 4.0785 -2.1850 0.5119 H 1 UNL1 0.2512 12 H -0.8614 -4.8277 -0.3167 H 1 UNL1 0.3338 13 C -1.3486 -1.6839 -0.6117 C.ar 1 UNL1 -0.0869 14 C -2.3115 -0.7313 -0.2668 C.ar 1 UNL1 -0.0587 15 C -1.5784 -3.0095 -0.2294 C.ar 1 UNL1 0.1457 16 C -2.7643 -3.3695 0.4427 C.ar 1 UNL1 0.0792 17 O 7.2911 0.7200 -0.9310 O.2 1 UNL1 -0.5175 18 O -3.2321 3.5972 -1.3473 O.2 1 UNL1 -0.2442 19 O -0.5925 -3.8973 -0.5243 O.3 1 UNL1 -0.4680 20 O 7.5748 1.6949 1.0494 O.3 1 UNL1 -0.5733 21 O -2.4797 3.6549 1.0681 O.3 1 UNL1 -0.2843 22 O -4.8170 3.0073 0.6639 O.3 1 UNL1 -0.3432 23 C 6.8286 1.0059 0.1422 C.2 1 UNL1 0.6493 24 O -3.1363 1.3979 0.1064 O.3 1 UNL1 -0.3629 25 H 8.4872 1.9046 0.7368 H 1 UNL1 0.3545 26 H -2.6484 3.1728 1.9635 H 1 UNL1 0.3118 27 H -5.4464 2.3765 0.1564 H 1 UNL1 0.3196 28 N 3.5458 -1.4986 1.0224 N.3 1 UNL1 -0.6571 29 N 0.8528 -0.6897 -0.3908 N.3 1 UNL1 -0.5345 30 P -3.3840 2.9796 -0.0462 P.3 1 UNL1 0.3590 31 N -3.6852 -2.4391 0.7481 N.ar 1 UNL1 -0.3467 32 H 2.7670 0.4512 0.8884 H 1 UNL1 0.1620 33 H 2.2325 0.1932 -1.6982 H 1 UNL1 0.1553 34 H 2.5296 -1.5513 -1.4756 H 1 UNL1 0.1218 35 H 5.0197 -0.4987 -1.0463 H 1 UNL1 0.1610 36 H 4.2919 1.1090 -1.0721 H 1 UNL1 0.1520 37 H 0.3416 -2.2268 -1.8469 H 1 UNL1 0.1436 38 H -0.2949 -0.5898 -2.1604 H 1 UNL1 0.1574 39 H 5.0766 1.5891 1.2512 H 1 UNL1 0.1826 40 H 5.5679 -0.0846 1.4891 H 1 UNL1 0.2096 41 H -1.0834 1.0480 -0.2656 H 1 UNL1 0.1706 42 H -2.1665 0.8633 -1.7144 H 1 UNL1 0.1447 43 H -4.2567 -0.4548 0.7070 H 1 UNL1 0.1947 44 H -3.0662 -5.4536 -0.0272 H 1 UNL1 0.1570 45 H -2.3094 -5.1514 1.5670 H 1 UNL1 0.1605 46 H -4.0351 -4.8637 1.3260 H 1 UNL1 0.1888 @BOND 1 38 5 1 2 37 5 1 3 42 7 1 4 33 3 1 5 34 3 1 6 5 13 1 7 5 29 1 8 18 30 2 9 36 4 1 10 35 4 1 11 3 29 1 12 3 1 1 13 17 23 2 14 7 14 1 15 7 41 1 16 7 24 1 17 13 14 ar 18 13 15 ar 19 19 12 1 20 19 15 1 21 4 1 1 22 4 6 1 23 29 9 1 24 14 2 ar 25 15 16 ar 26 30 24 1 27 30 22 1 28 30 21 1 29 44 8 1 30 23 6 1 31 23 20 1 32 27 22 1 33 1 32 1 34 1 28 1 35 2 43 1 36 2 31 ar 37 16 31 ar 38 16 8 1 39 11 28 1 40 6 39 1 41 6 40 1 42 25 20 1 43 8 46 1 44 8 45 1 45 28 10 1 46 21 26 1