@MOLECULE (3r)-2,3-dihydroxy-n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-l-aspartic acid 43 43 0 0 0 SMALL GASTEIGER @ATOM 1 N 3.5440 2.5371 0.1973 N.ar 1 UNL1111111111 -0.3617 2 C 2.3272 2.9814 0.5357 C.ar 1 UNL1111111111 0.1413 3 C 2.2003 4.2086 1.3652 C.3 1 UNL1111111111 -0.4337 4 C 1.1574 2.2942 0.1130 C.ar 1 UNL1111111111 0.1809 5 O -0.0016 2.8357 0.5389 O.3 1 UNL1111111111 -0.4702 6 C 1.2503 1.1497 -0.6876 C.ar 1 UNL1111111111 -0.1047 7 C 0.0002 0.4779 -1.1819 C.3 1 UNL1111111111 -0.1067 8 C 2.5353 0.6890 -0.9980 C.ar 1 UNL1111111111 -0.1146 9 C 2.7967 -0.6041 -1.7137 C.3 1 UNL1111111111 0.0114 10 C 3.6445 1.4155 -0.5450 C.ar 1 UNL1111111111 -0.0156 11 P 2.6549 -2.3201 0.3657 P.3 1 UNL1111111111 0.3394 12 O 1.6454 -3.3104 0.0588 O.2 1 UNL1111111111 -0.1789 13 O 3.9552 -2.9160 1.0647 O.3 1 UNL1111111111 -0.2876 14 O 2.0581 -1.2096 1.3395 O.3 1 UNL1111111111 -0.3773 15 O 3.4162 -1.5376 -0.8207 O.3 1 UNL1111111111 -0.3639 16 N -0.8717 0.2257 -0.0013 N.3 1 UNL1111111111 -0.5539 17 C -2.1911 -0.2909 -0.3207 C.3 1 UNL1111111111 0.3447 18 O -2.0324 -1.4512 -1.0810 O.3 1 UNL1111111111 -0.5572 19 C -2.9496 -0.5977 1.0156 C.3 1 UNL1111111111 0.0267 20 O -2.8768 0.4730 1.8964 O.3 1 UNL1111111111 -0.4707 21 C -2.9358 0.7346 -1.2098 C.2 1 UNL1111111111 0.5704 22 O -2.8453 0.9210 -2.3860 O.2 1 UNL1111111111 -0.4374 23 O -3.7914 1.4566 -0.4396 O.3 1 UNL1111111111 -0.6004 24 C -4.4075 -0.9538 0.7634 C.2 1 UNL1111111111 0.5835 25 O -5.4056 -0.4352 1.1666 O.2 1 UNL1111111111 -0.4251 26 O -4.4511 -2.0482 -0.0533 O.3 1 UNL1111111111 -0.6219 27 H 1.7056 5.0151 0.7991 H 1 UNL1111111111 0.1702 28 H 1.5756 4.0254 2.2536 H 1 UNL1111111111 0.1720 29 H 3.1748 4.5888 1.7049 H 1 UNL1111111111 0.1720 30 H -0.7511 2.1665 0.5004 H 1 UNL1111111111 0.3671 31 H -0.5206 1.1496 -1.9078 H 1 UNL1111111111 0.1690 32 H 0.2095 -0.4627 -1.7439 H 1 UNL1111111111 0.1679 33 H 1.9092 -1.0164 -2.2363 H 1 UNL1111111111 0.1405 34 H 3.6132 -0.5062 -2.4700 H 1 UNL1111111111 0.1487 35 H 4.6679 1.0944 -0.7703 H 1 UNL1111111111 0.1778 36 H 4.7828 -2.3791 0.7697 H 1 UNL1111111111 0.3106 37 H 2.6799 -0.4067 1.4147 H 1 UNL1111111111 0.3151 38 H -0.3699 -0.3859 0.6622 H 1 UNL1111111111 0.3157 39 H -2.8314 -2.0300 -1.0576 H 1 UNL1111111111 0.3590 40 H -2.4306 -1.4328 1.5597 H 1 UNL1111111111 0.2025 41 H -3.3363 1.2684 1.5149 H 1 UNL1111111111 0.3437 42 H -4.3307 2.1279 -0.9259 H 1 UNL1111111111 0.3755 43 H -5.3552 -2.3654 -0.2872 H 1 UNL1111111111 0.3758 @BOND 1 1 2 ar 2 1 10 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 1 17 8 10 ar 18 9 15 1 19 9 33 1 20 9 34 1 21 10 35 1 22 11 12 2 23 11 13 1 24 11 14 1 25 11 15 1 26 13 36 1 27 14 37 1 28 16 17 1 29 16 38 1 30 17 18 1 31 17 19 1 32 17 21 1 33 18 39 1 34 19 20 1 35 19 24 1 36 19 40 1 37 20 41 1 38 21 22 2 39 21 23 1 40 23 42 1 41 24 25 2 42 24 26 1 43 26 43 1