@MOLECULE (2r)-2-hydroxy-2-(4-methylphenyl)propanoic acid 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.6642 -1.7609 -0.0143 O.3 1 UNL1111111111 -0.5439 2 O -1.7911 1.7940 0.3655 O.3 1 UNL1111111111 -0.5420 3 O -3.0865 0.1892 1.2176 O.2 1 UNL1111111111 -0.5105 4 C -1.3674 -0.4363 -0.4016 C.3 1 UNL1111111111 0.2692 5 C 0.1141 -0.2468 -0.2072 C.ar 1 UNL1111111111 -0.0888 6 C -1.8119 -0.2466 -1.8509 C.3 1 UNL1111111111 -0.4823 7 C 0.7206 0.9536 -0.5840 C.ar 1 UNL1111111111 -0.1130 8 C 0.8848 -1.2744 0.3355 C.ar 1 UNL1111111111 -0.0906 9 C 2.8675 0.0938 0.1183 C.ar 1 UNL1111111111 0.0650 10 C -2.1770 0.5071 0.4970 C.2 1 UNL1111111111 0.5789 11 C 2.0914 1.1233 -0.4216 C.ar 1 UNL1111111111 -0.2023 12 C 2.2575 -1.1038 0.4978 C.ar 1 UNL1111111111 -0.2059 13 C 4.3352 0.2795 0.3026 C.3 1 UNL1111111111 -0.4607 14 H -2.8769 -0.4709 -1.9833 H 1 UNL1111111111 0.1613 15 H -1.6275 0.7734 -2.2081 H 1 UNL1111111111 0.1665 16 H -1.2566 -0.9351 -2.5058 H 1 UNL1111111111 0.1773 17 H 0.1222 1.7665 -0.9975 H 1 UNL1111111111 0.1622 18 H 0.4154 -2.2155 0.6337 H 1 UNL1111111111 0.1753 19 H 2.5582 2.0606 -0.7137 H 1 UNL1111111111 0.1528 20 H 2.8539 -1.9073 0.9233 H 1 UNL1111111111 0.1548 21 H -2.5796 -1.8386 0.3420 H 1 UNL1111111111 0.3413 22 H 4.5527 0.6962 1.2987 H 1 UNL1111111111 0.1636 23 H 4.8892 -0.6659 0.2203 H 1 UNL1111111111 0.1579 24 H 4.7665 0.9681 -0.4364 H 1 UNL1111111111 0.1562 25 H -2.2930 2.4191 0.9499 H 1 UNL1111111111 0.3575 @BOND 1 1 4 1 2 1 21 1 3 2 10 1 4 2 25 1 5 3 10 2 6 4 5 1 7 4 6 1 8 4 10 1 9 5 7 ar 10 5 8 ar 11 6 14 1 12 6 15 1 13 6 16 1 14 7 11 ar 15 7 17 1 16 8 12 ar 17 8 18 1 18 9 11 ar 19 9 12 ar 20 9 13 1 21 11 19 1 22 12 20 1 23 13 22 1 24 13 23 1 25 13 24 1