@MOLECULE n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)-3-[(2-hydroxyphenyl)amino]-d-alanine 51 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3969 0.0649 -1.2341 O.3 1 UNL111111111 -0.5334 2 C -4.2612 -0.1868 0.1154 C.ar 1 UNL111111111 0.1127 3 C -5.2807 0.2667 0.9368 C.ar 1 UNL111111111 -0.1448 4 C -5.1347 0.1400 2.3165 C.ar 1 UNL111111111 -0.1898 5 C -3.9776 -0.4314 2.8424 C.ar 1 UNL111111111 -0.1002 6 C -2.9614 -0.8964 2.0108 C.ar 1 UNL111111111 -0.2333 7 C -3.0843 -0.7928 0.6181 C.ar 1 UNL111111111 0.1381 8 N -2.1617 -1.3246 -0.2964 N.pl3 1 UNL111111111 -0.5223 9 O 3.8909 1.6149 1.8752 O.3 1 UNL111111111 -0.4149 10 P 4.3403 0.5052 0.8110 P.3 1 UNL111111111 0.3545 11 O 5.6397 0.6637 0.1862 O.2 1 UNL111111111 -0.2606 12 O 4.1515 -0.8491 1.6132 O.3 1 UNL111111111 -0.2313 13 O 3.0282 0.3939 -0.1044 O.3 1 UNL111111111 -0.3135 14 C 2.6745 1.4159 -1.0552 C.3 1 UNL111111111 -0.0015 15 C 1.2138 1.6788 -0.8196 C.ar 1 UNL111111111 -0.1119 16 C 0.8477 2.6780 0.0974 C.ar 1 UNL111111111 0.0184 17 N -0.4223 3.0695 0.2908 N.ar 1 UNL111111111 -0.3554 18 C 0.2042 1.0003 -1.5077 C.ar 1 UNL111111111 -0.0765 19 C -1.1033 1.4820 -1.3624 C.ar 1 UNL111111111 0.1369 20 O -2.0322 0.9202 -2.1740 O.3 1 UNL111111111 -0.5128 21 C -1.4007 2.5113 -0.4451 C.ar 1 UNL111111111 0.1100 22 C -2.7855 3.0180 -0.2488 C.3 1 UNL111111111 -0.4483 23 C 0.4647 -0.2199 -2.3529 C.3 1 UNL111111111 -0.0916 24 N 0.9997 -1.3600 -1.5862 N.3 1 UNL111111111 -0.5363 25 CA 0.0057 -2.2528 -0.9819 C.3 1 UNL111111111 -0.0147 26 C 0.7974 -3.4476 -0.4588 C.2 1 UNL111111111 0.6312 27 O 1.6424 -3.0431 0.5239 O.3 1 UNL111111111 -0.5697 28 OXT 0.7196 -4.5981 -0.7848 O.2 1 UNL111111111 -0.4863 29 C -0.8295 -1.7046 0.2108 C.3 1 UNL111111111 -0.1429 30 H -4.4028 -0.7803 -1.7479 H 1 UNL111111111 0.3478 31 H -6.1711 0.7153 0.4983 H 1 UNL111111111 0.1706 32 H -5.9245 0.4873 2.9757 H 1 UNL111111111 0.1558 33 H -3.8578 -0.5112 3.9247 H 1 UNL111111111 0.1519 34 H -2.0709 -1.3329 2.4545 H 1 UNL111111111 0.1631 35 H -2.0996 -0.8015 -1.1743 H 1 UNL111111111 0.3030 36 H 4.4900 2.4345 1.7989 H 1 UNL111111111 0.3241 37 H 3.1922 -0.8493 2.0120 H 1 UNL111111111 0.3135 38 H 3.2532 2.3647 -1.0065 H 1 UNL111111111 0.1379 39 H 2.8692 0.9615 -2.0531 H 1 UNL111111111 0.1456 40 H 1.5975 3.1923 0.7140 H 1 UNL111111111 0.1851 41 H -2.9703 1.0060 -1.8314 H 1 UNL111111111 0.3672 42 H -3.5307 2.2108 -0.2025 H 1 UNL111111111 0.1668 43 H -2.8774 3.5903 0.6925 H 1 UNL111111111 0.1867 44 H -3.0744 3.7035 -1.0605 H 1 UNL111111111 0.1738 45 H -0.4446 -0.5286 -2.9192 H 1 UNL111111111 0.1658 46 H 1.2323 0.0108 -3.1382 H 1 UNL111111111 0.1652 47 H 1.7024 -1.0521 -0.9064 H 1 UNL111111111 0.3029 48 HA -0.6861 -2.6237 -1.7934 H 1 UNL111111111 0.1893 49 H 2.2553 -3.7492 0.8445 H 1 UNL111111111 0.3591 50 H -0.2955 -0.8626 0.7065 H 1 UNL111111111 0.1512 51 H -0.9645 -2.4972 0.9846 H 1 UNL111111111 0.1636 @BOND 1 1 2 1 2 1 30 1 3 2 7 ar 4 2 3 ar 5 3 4 ar 6 3 31 1 7 4 5 ar 8 4 32 1 9 5 33 1 10 6 5 ar 11 6 34 1 12 7 6 ar 13 8 29 1 14 8 7 1 15 8 35 1 16 9 10 1 17 9 36 1 18 10 12 1 19 11 10 2 20 12 37 1 21 13 14 1 22 13 10 1 23 14 38 1 24 14 39 1 25 15 16 ar 26 15 14 1 27 16 40 1 28 17 16 ar 29 18 15 ar 30 19 21 ar 31 19 18 ar 32 20 19 1 33 20 41 1 34 21 17 ar 35 22 21 1 36 22 42 1 37 22 43 1 38 22 44 1 39 23 18 1 40 23 45 1 41 23 46 1 42 24 23 1 43 24 47 1 44 25 24 1 45 25 29 1 46 25 48 1 47 26 25 1 48 27 26 1 49 27 49 1 50 28 26 2 51 29 50 1 52 29 51 1