@MOLECULE 3-(hydroxymethyl)-l-tyrosine 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.5025 -1.4478 0.1508 O.3 1 UNL1111111111 -0.4800 2 O 3.0560 1.9960 1.2051 O.3 1 UNL1111111111 -0.5404 3 O -1.8276 -0.5477 1.7037 O.3 1 UNL1111111111 -0.5531 4 OXT -3.6114 -1.1591 0.5176 O.2 1 UNL1111111111 -0.4954 5 N -3.6427 1.5458 -0.5326 N.3 1 UNL1111111111 -0.6579 6 C -1.5493 0.5524 -1.2900 C.3 1 UNL1111111111 -0.2809 7 C -0.2121 0.0124 -0.9029 C.ar 1 UNL1111111111 -0.0772 8 CA -2.4027 0.9119 -0.0473 C.3 1 UNL1111111111 0.0119 9 C 0.8595 0.8792 -0.6535 C.ar 1 UNL1111111111 -0.0837 10 C 2.1117 0.3813 -0.3026 C.ar 1 UNL1111111111 -0.1617 11 C -0.0276 -1.3671 -0.7955 C.ar 1 UNL1111111111 -0.0814 12 C 2.2643 -1.0082 -0.2000 C.ar 1 UNL1111111111 0.2783 13 C 1.2111 -1.8916 -0.4433 C.ar 1 UNL1111111111 -0.3013 14 C 3.2523 1.3096 -0.0194 C.3 1 UNL1111111111 0.0093 15 C -2.7228 -0.3723 0.7006 C.2 1 UNL1111111111 0.6009 16 H -1.4506 1.4646 -1.9218 H 1 UNL1111111111 0.1712 17 H -2.1058 -0.1561 -1.9334 H 1 UNL1111111111 0.1719 18 HA -1.8128 1.5979 0.6199 H 1 UNL1111111111 0.1637 19 H 0.7178 1.9574 -0.7271 H 1 UNL1111111111 0.1620 20 H -0.8640 -2.0429 -0.9854 H 1 UNL1111111111 0.1576 21 H 1.3538 -2.9638 -0.3577 H 1 UNL1111111111 0.1617 22 H 4.2315 0.7881 0.0245 H 1 UNL1111111111 0.1402 23 H 3.3183 2.1365 -0.7534 H 1 UNL1111111111 0.1449 24 H1 -3.6647 2.5347 -0.3600 H 1 UNL1111111111 0.2612 25 H2 -4.4836 1.1116 -0.1938 H 1 UNL1111111111 0.2750 26 H 3.5506 -2.4333 0.1920 H 1 UNL1111111111 0.3314 27 H 2.8355 1.3588 1.9164 H 1 UNL1111111111 0.3161 28 H -1.9545 -1.3847 2.2151 H 1 UNL1111111111 0.3555 @BOND 1 1 12 1 2 1 26 1 3 2 14 1 4 2 27 1 5 3 15 1 6 3 28 1 7 4 15 2 8 5 8 1 9 5 24 1 10 5 25 1 11 6 7 1 12 6 8 1 13 6 16 1 14 6 17 1 15 7 9 ar 16 7 11 ar 17 8 15 1 18 8 18 1 19 9 10 ar 20 9 19 1 21 10 12 ar 22 10 14 1 23 11 13 ar 24 11 20 1 25 12 13 ar 26 13 21 1 27 14 22 1 28 14 23 1