@MOLECULE 3-(hydroxymethyl)-o-phosphono-l-tyrosine 33 33 0 0 0 SMALL GASTEIGER @ATOM 1 N 2.8334 1.3824 1.0768 N.3 1 UNL1111111111 -0.6303 2 CA 3.4109 0.1772 0.4639 C.3 1 UNL1111111111 0.0024 3 C 4.9135 0.3985 0.4108 C.2 1 UNL1111111111 0.6279 4 O 5.5133 1.3312 -0.0504 O.2 1 UNL1111111111 -0.5057 5 OXT 5.5613 -0.6658 0.9447 O.3 1 UNL1111111111 -0.5570 6 C 2.9294 -0.1252 -0.9801 C.3 1 UNL1111111111 -0.3350 7 C 1.4350 -0.1342 -0.9940 C.ar 1 UNL1111111111 -0.0525 8 C 0.7414 -1.2424 -0.4999 C.ar 1 UNL1111111111 -0.1173 9 C 0.7350 0.9899 -1.4331 C.ar 1 UNL1111111111 -0.1445 10 C -0.6426 -1.2098 -0.3768 C.ar 1 UNL1111111111 -0.1092 11 C -0.6510 1.0458 -1.3189 C.ar 1 UNL1111111111 -0.2237 12 C -1.3266 -0.0419 -0.7593 C.ar 1 UNL1111111111 0.2598 13 C -1.3944 -2.3843 0.1674 C.3 1 UNL1111111111 0.0163 14 O -2.6992 -0.0862 -0.7087 O.3 1 UNL1111111111 -0.3548 15 P -3.5407 0.7745 0.3801 P.3 1 UNL1111111111 0.3852 16 O -3.1401 2.1415 0.6107 O.2 1 UNL1111111111 -0.2025 17 O -4.9837 0.4572 -0.2222 O.3 1 UNL1111111111 -0.3476 18 O -3.5350 -0.1087 1.6948 O.3 1 UNL1111111111 -0.2895 19 O -0.5070 -3.4968 0.1638 O.3 1 UNL1111111111 -0.5559 20 H1 1.8267 1.3134 1.1506 H 1 UNL1111111111 0.2709 21 H2 3.0701 2.2221 0.5665 H 1 UNL1111111111 0.2623 22 HA 3.1673 -0.6961 1.1329 H 1 UNL1111111111 0.1846 23 HXT 6.5449 -0.5697 0.9586 H 1 UNL1111111111 0.3538 24 H 3.3383 0.6231 -1.6896 H 1 UNL1111111111 0.1660 25 H 3.3386 -1.0992 -1.3182 H 1 UNL1111111111 0.1668 26 H 1.2873 -2.1390 -0.1939 H 1 UNL1111111111 0.1784 27 H 1.2722 1.8368 -1.8575 H 1 UNL1111111111 0.1541 28 H -1.1904 1.9314 -1.6516 H 1 UNL1111111111 0.1762 29 H -1.6790 -2.2224 1.2293 H 1 UNL1111111111 0.1418 30 H -2.2926 -2.6128 -0.4354 H 1 UNL1111111111 0.1269 31 H -4.9523 0.5607 -1.2436 H 1 UNL1111111111 0.3285 32 H -4.1055 -0.9511 1.5434 H 1 UNL1111111111 0.3104 33 H -0.9886 -4.3140 -0.0543 H 1 UNL1111111111 0.3134 @BOND 1 1 2 1 2 1 20 1 3 1 21 1 4 2 3 1 5 2 6 1 6 2 22 1 7 3 4 2 8 3 5 1 9 5 23 1 10 6 7 1 11 6 24 1 12 6 25 1 13 7 8 ar 14 7 9 ar 15 8 10 ar 16 8 26 1 17 9 11 ar 18 9 27 1 19 10 12 ar 20 10 13 1 21 11 12 ar 22 11 28 1 23 12 14 1 24 13 19 1 25 13 29 1 26 13 30 1 27 14 15 1 28 15 16 2 29 15 17 1 30 15 18 1 31 17 31 1 32 18 32 1 33 19 33 1