@MOLECULE (3s)-3-amino-4-(4-hydroxyphenyl)butanoic acid 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.5419 -0.7893 -0.4450 O.2 1 UNL1111111111 -0.5302 2 C 2.5548 -1.0177 0.2077 C.2 1 UNL1111111111 0.6618 3 C 1.7961 -0.1052 1.1088 C.3 1 UNL1111111111 -0.4278 4 C 1.5563 1.2808 0.4422 C.3 1 UNL1111111111 0.1004 5 N 2.8004 1.9856 0.0959 N.3 1 UNL1111111111 -0.6545 6 C 0.7167 1.1312 -0.8492 C.3 1 UNL1111111111 -0.3048 7 C -0.6556 0.6313 -0.5334 C.ar 1 UNL1111111111 -0.0692 8 C -0.9595 -0.7240 -0.6732 C.ar 1 UNL1111111111 -0.0943 9 C -2.2302 -1.2011 -0.3623 C.ar 1 UNL1111111111 -0.2987 10 C -3.1857 -0.2901 0.0886 C.ar 1 UNL1111111111 0.2812 11 O -4.4498 -0.6635 0.4208 O.3 1 UNL1111111111 -0.4765 12 C -2.9102 1.0741 0.2329 C.ar 1 UNL1111111111 -0.2412 13 C -1.6359 1.5244 -0.0846 C.ar 1 UNL1111111111 -0.1032 14 O 1.9906 -2.2529 0.1867 O.3 1 UNL1111111111 -0.5607 15 H 2.4743 -2.9033 -0.3808 H 1 UNL1111111111 0.3562 16 H 2.3511 0.0190 2.0612 H 1 UNL1111111111 0.1798 17 H 0.8153 -0.5511 1.3943 H 1 UNL1111111111 0.2000 18 H 0.9900 1.9192 1.1721 H 1 UNL1111111111 0.1471 19 H 3.3864 1.4289 -0.5136 H 1 UNL1111111111 0.2740 20 H 3.3354 2.2442 0.9083 H 1 UNL1111111111 0.2513 21 H 0.6731 2.1206 -1.3584 H 1 UNL1111111111 0.1758 22 H 1.2360 0.4743 -1.5746 H 1 UNL1111111111 0.1568 23 H -0.1956 -1.4214 -1.0209 H 1 UNL1111111111 0.1596 24 H -2.4654 -2.2541 -0.4683 H 1 UNL1111111111 0.1606 25 H -4.5955 -1.6328 0.3057 H 1 UNL1111111111 0.3271 26 H -3.6859 1.7491 0.5839 H 1 UNL1111111111 0.1736 27 H -1.3964 2.5830 0.0166 H 1 UNL1111111111 0.1557 @BOND 1 1 2 2 2 2 3 1 3 2 14 1 4 3 4 1 5 3 16 1 6 3 17 1 7 4 6 1 8 4 5 1 9 4 18 1 10 5 19 1 11 5 20 1 12 6 7 1 13 6 21 1 14 6 22 1 15 7 8 ar 16 7 13 ar 17 8 9 ar 18 8 23 1 19 9 10 ar 20 9 24 1 21 10 12 ar 22 10 11 1 23 11 25 1 24 12 13 ar 25 12 26 1 26 13 27 1 27 14 15 1