@MOLECULE (2s)-2-hydroxy-2-phenylpropanoic acid 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.7553 0.8849 -0.4108 C.ar 1 UNL1111111111 -0.1527 2 C -1.4093 1.1923 -0.2202 C.ar 1 UNL1111111111 -0.1255 3 C -0.5125 0.1882 0.1424 C.ar 1 UNL1111111111 -0.0860 4 C -0.9635 -1.1192 0.3305 C.ar 1 UNL1111111111 -0.1470 5 C -2.3093 -1.4223 0.1428 C.ar 1 UNL1111111111 -0.1485 6 C -3.2054 -0.4216 -0.2317 C.ar 1 UNL1111111111 -0.1373 7 C 0.9405 0.5295 0.3672 C.3 1 UNL1111111111 0.2570 8 O 1.2277 1.8368 -0.0750 O.3 1 UNL1111111111 -0.5324 9 C 1.8194 -0.4206 -0.4564 C.2 1 UNL1111111111 0.5791 10 C 1.3137 0.5203 1.8444 C.3 1 UNL1111111111 -0.4500 11 O 2.2600 -0.2105 -1.5544 O.2 1 UNL1111111111 -0.4978 12 O 2.0535 -1.5830 0.1947 O.3 1 UNL1111111111 -0.5510 13 H -3.4547 1.6679 -0.6972 H 1 UNL1111111111 0.1520 14 H -1.0619 2.2197 -0.3447 H 1 UNL1111111111 0.1687 15 H -0.2662 -1.9045 0.6269 H 1 UNL1111111111 0.1662 16 H -2.6616 -2.4415 0.2890 H 1 UNL1111111111 0.1514 17 H -4.2563 -0.6611 -0.3820 H 1 UNL1111111111 0.1493 18 H 1.2772 1.8783 -1.0599 H 1 UNL1111111111 0.3365 19 H 1.2255 -0.4846 2.2773 H 1 UNL1111111111 0.1699 20 H 2.3445 0.8703 1.9956 H 1 UNL1111111111 0.1706 21 H 0.6593 1.1972 2.4123 H 1 UNL1111111111 0.1702 22 H 2.6248 -2.2136 -0.3138 H 1 UNL1111111111 0.3574 @BOND 1 1 2 ar 2 1 6 ar 3 1 13 1 4 2 3 ar 5 2 14 1 6 3 4 ar 7 3 7 1 8 4 5 ar 9 4 15 1 10 5 6 ar 11 5 16 1 12 6 17 1 13 7 8 1 14 7 9 1 15 7 10 1 16 8 18 1 17 9 11 2 18 9 12 1 19 10 19 1 20 10 20 1 21 10 21 1 22 12 22 1