@MOLECULE 3-hydroxyphenylacetic acid 19 19 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.8947 1.6765 0.0489 O.3 1 UNL11111111 -0.4721 2 O 3.6528 0.3077 -0.2284 O.3 1 UNL11111111 -0.5770 3 O 2.0921 0.3085 1.3616 O.2 1 UNL11111111 -0.4779 4 C 0.0636 -0.2885 -0.5325 C.ar 1 UNL11111111 0.0857 5 C 1.4782 -0.0787 -0.9789 C.3 1 UNL11111111 -0.3650 6 C -0.7992 0.7994 -0.4487 C.ar 1 UNL11111111 -0.2606 7 C -0.3778 -1.5730 -0.1954 C.ar 1 UNL11111111 -0.2364 8 C -2.1078 0.5710 -0.0106 C.ar 1 UNL11111111 0.3053 9 C -1.6870 -1.7708 0.2367 C.ar 1 UNL11111111 -0.0561 10 C -2.5724 -0.6995 0.3343 C.ar 1 UNL11111111 -0.3154 11 C 2.3630 0.1921 0.1990 C.2 1 UNL11111111 0.6489 12 H 1.5564 0.7661 -1.7041 H 1 UNL11111111 0.1950 13 H 1.8631 -0.9594 -1.5451 H 1 UNL11111111 0.1935 14 H -0.4823 1.8091 -0.6957 H 1 UNL11111111 0.1792 15 H 0.3038 -2.4171 -0.2574 H 1 UNL11111111 0.1583 16 H -2.0227 -2.7727 0.5049 H 1 UNL11111111 0.1495 17 H -3.5904 -0.8505 0.6724 H 1 UNL11111111 0.1605 18 H -3.7954 1.4772 0.4004 H 1 UNL11111111 0.3279 19 H 4.2956 0.4941 0.4982 H 1 UNL11111111 0.3568 @BOND 1 12 5 1 2 13 5 1 3 5 4 1 4 5 11 1 5 14 6 1 6 4 6 ar 7 4 7 ar 8 6 8 ar 9 15 7 1 10 2 11 1 11 2 19 1 12 7 9 ar 13 8 1 1 14 8 10 ar 15 1 18 1 16 11 3 2 17 9 10 ar 18 9 16 1 19 10 17 1