@MOLECULE (5-isoquinolinyloxy)acetic acid 24 25 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.2263 -2.3025 -0.0001 C.ar 1 UNL1111111111 0.0152 2 C 1.0500 -1.5837 0.0012 C.ar 1 UNL1111111111 -0.1931 3 C 1.1188 -0.1692 0.0011 C.ar 1 UNL1111111111 -0.0352 4 C 2.3790 0.4609 -0.0002 C.ar 1 UNL1111111111 -0.0513 5 C 3.5339 -0.3858 -0.0009 C.ar 1 UNL1111111111 0.0407 6 C -0.0429 0.6706 0.0019 C.ar 1 UNL1111111111 0.2245 7 C 0.0496 2.0397 0.0010 C.ar 1 UNL1111111111 -0.2938 8 C 1.3336 2.6413 -0.0009 C.ar 1 UNL1111111111 -0.0832 9 C 2.4719 1.8777 -0.0012 C.ar 1 UNL1111111111 -0.1969 10 C -2.4102 0.6594 -0.0012 C.3 1 UNL1111111111 -0.1267 11 C -3.4703 -0.4156 -0.0010 C.2 1 UNL1111111111 0.6214 12 N 3.4589 -1.7043 -0.0011 N.ar 1 UNL1111111111 -0.3462 13 O -1.1860 -0.0685 0.0038 O.3 1 UNL1111111111 -0.2859 14 O -3.3723 -1.6077 -0.0013 O.2 1 UNL1111111111 -0.4435 15 H 2.2503 -3.3978 -0.0006 H 1 UNL1111111111 0.1781 16 H 0.0785 -2.0797 0.0022 H 1 UNL1111111111 0.1880 17 H 4.5384 0.0546 -0.0016 H 1 UNL1111111111 0.1749 18 H -0.8229 2.6840 0.0021 H 1 UNL1111111111 0.1667 19 H 1.3948 3.7299 -0.0021 H 1 UNL1111111111 0.1543 20 H 3.4574 2.3390 -0.0024 H 1 UNL1111111111 0.1622 21 H -2.4831 1.2898 -0.9108 H 1 UNL1111111111 0.1718 22 H -2.4874 1.2945 0.9048 H 1 UNL1111111111 0.1718 23 O -4.6854 0.2004 -0.0007 O.3 1 UNL1111111111 -0.5766 24 H -5.4500 -0.4263 -0.0006 H 1 UNL1111111111 0.3627 @BOND 1 1 2 ar 2 1 12 ar 3 1 15 1 4 2 3 ar 5 2 16 1 6 3 4 ar 7 3 6 ar 8 4 5 ar 9 4 9 ar 10 5 12 ar 11 5 17 1 12 6 7 ar 13 6 13 1 14 7 8 ar 15 7 18 1 16 8 9 ar 17 8 19 1 18 9 20 1 19 10 11 1 20 10 13 1 21 10 21 1 22 10 22 1 23 11 14 2 24 11 23 1 25 23 24 1