@MOLECULE 2-hydroxy-6-[(2r)-2-hydroxypropyl]benzoic acid 26 26 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.8949 1.4095 -0.5732 O.3 1 UNL11111111 -0.5752 2 O 3.0068 -0.6480 -0.6030 O.3 1 UNL11111111 -0.4611 3 O 0.7715 -2.2573 1.2032 O.3 1 UNL11111111 -0.5461 4 O 0.1490 -2.2841 -0.9343 O.2 1 UNL11111111 -0.4984 5 C -1.5274 0.2006 0.8740 C.3 1 UNL11111111 -0.3402 6 C -2.4232 0.0842 -0.3742 C.3 1 UNL11111111 0.1962 7 C -0.1685 0.6907 0.4880 C.ar 1 UNL11111111 0.1443 8 C 0.8272 -0.2094 0.0944 C.ar 1 UNL11111111 -0.2637 9 C 0.1096 2.0599 0.5053 C.ar 1 UNL11111111 -0.2458 10 C -3.6034 -0.8563 -0.1412 C.3 1 UNL11111111 -0.5053 11 C 2.0921 0.2854 -0.2477 C.ar 1 UNL11111111 0.3439 12 C 1.3716 2.5316 0.1516 C.ar 1 UNL11111111 -0.0296 13 C 2.3824 1.6509 -0.2246 C.ar 1 UNL11111111 -0.3369 14 C 0.5541 -1.6505 0.0048 C.2 1 UNL11111111 0.6775 15 H -1.4708 -0.7711 1.4046 H 1 UNL11111111 0.1695 16 H -2.0113 0.8987 1.5943 H 1 UNL11111111 0.1804 17 H -1.8356 -0.2127 -1.2738 H 1 UNL11111111 0.1322 18 H -0.6786 2.7605 0.7798 H 1 UNL11111111 0.1746 19 H -4.2127 -0.5264 0.7089 H 1 UNL11111111 0.1598 20 H -4.2600 -0.8989 -1.0170 H 1 UNL11111111 0.1505 21 H -3.2669 -1.8801 0.0605 H 1 UNL11111111 0.1613 22 H 1.5701 3.6038 0.1684 H 1 UNL11111111 0.1504 23 H 3.3665 2.0171 -0.4932 H 1 UNL11111111 0.1647 24 H -3.5131 1.4508 -1.3242 H 1 UNL11111111 0.3161 25 H 3.8770 -0.2485 -0.8520 H 1 UNL11111111 0.3337 26 H 0.6399 -3.2370 1.1742 H 1 UNL11111111 0.3473 @BOND 1 24 1 1 2 17 6 1 3 20 10 1 4 4 14 2 5 25 2 1 6 2 11 1 7 1 6 1 8 23 13 1 9 6 10 1 10 6 5 1 11 11 13 ar 12 11 8 ar 13 13 12 ar 14 10 21 1 15 10 19 1 16 14 8 1 17 14 3 1 18 8 7 ar 19 12 22 1 20 12 9 ar 21 7 9 ar 22 7 5 1 23 9 18 1 24 5 15 1 25 5 16 1 26 26 3 1