@MOLECULE 4-hydroxyphenylglycine 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.3856 0.1257 -0.4859 O.3 1 UNL1111111111 -0.4716 2 O -4.1536 0.8764 -0.4569 O.3 1 UNL1111111111 -0.5557 3 O -3.3646 -1.2129 -0.3589 O.2 1 UNL1111111111 -0.4979 4 N -0.9753 -0.3211 0.8185 N.pl3 1 UNL1111111111 -0.5067 5 C 0.3648 -0.1580 0.3937 C.ar 1 UNL1111111111 0.1427 6 C -1.9521 0.6619 0.3222 C.3 1 UNL1111111111 -0.1656 7 C 0.9452 1.1150 0.3044 C.ar 1 UNL1111111111 -0.1800 8 C 1.1520 -1.3096 0.1883 C.ar 1 UNL1111111111 -0.1895 9 C 2.2988 1.2449 0.0051 C.ar 1 UNL1111111111 -0.2500 10 C 2.5012 -1.1894 -0.0998 C.ar 1 UNL1111111111 -0.1796 11 C 3.0563 0.0927 -0.1913 C.ar 1 UNL1111111111 0.2291 12 C -3.1883 -0.0358 -0.1904 C.2 1 UNL1111111111 0.6149 13 H -1.3251 -1.2810 0.7559 H 1 UNL1111111111 0.3021 14 H -1.5436 1.3243 -0.4798 H 1 UNL1111111111 0.1789 15 H -2.2242 1.3368 1.1761 H 1 UNL1111111111 0.1898 16 H 0.3514 2.0068 0.4895 H 1 UNL1111111111 0.1579 17 H 0.7007 -2.2979 0.2621 H 1 UNL1111111111 0.1625 18 H 2.7513 2.2289 -0.0651 H 1 UNL1111111111 0.1570 19 H 3.1316 -2.0629 -0.2572 H 1 UNL1111111111 0.1761 20 H 4.7321 1.0480 -0.5257 H 1 UNL1111111111 0.3233 21 H -4.9971 0.4789 -0.7919 H 1 UNL1111111111 0.3623 @BOND 1 1 11 1 2 1 20 1 3 2 12 1 4 2 21 1 5 3 12 2 6 4 5 1 7 4 6 1 8 4 13 1 9 5 7 ar 10 5 8 ar 11 6 12 1 12 6 14 1 13 6 15 1 14 7 9 ar 15 7 16 1 16 8 10 ar 17 8 17 1 18 9 11 ar 19 9 18 1 20 10 11 ar 21 10 19 1