@MOLECULE phenyl p-aminosalicylic acid 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.9908 -0.5621 0.0927 O.3 1 UNL1111111111 -0.1822 2 O 2.0233 2.3284 -0.3972 O.3 1 UNL1111111111 -0.3153 3 O -0.5471 1.6260 -0.2337 O.2 1 UNL1111111111 -0.3880 4 N 5.2748 -1.0466 0.1423 N.pl3 1 UNL1111111111 -1.0715 5 C 1.2458 0.0781 0.0058 C.ar 1 UNL1111111111 -0.0433 6 C 2.2752 1.0326 -0.1755 C.ar 1 UNL1111111111 0.1442 7 C 1.6141 -1.2598 0.2384 C.ar 1 UNL1111111111 -0.0809 8 C 3.9576 -0.6653 0.0960 C.ar 1 UNL1111111111 0.6814 9 C 3.6241 0.6787 -0.1342 C.ar 1 UNL1111111111 -0.6228 10 C 2.9365 -1.6400 0.2848 C.ar 1 UNL1111111111 -0.5491 11 C -0.1366 0.4956 -0.0590 C.2 1 UNL1111111111 0.1536 12 C -2.3528 -0.3444 0.0523 C.ar 1 UNL1111111111 0.3341 13 C -3.0653 -1.3078 -0.6642 C.ar 1 UNL1111111111 -0.3565 14 C -2.9720 0.6862 0.7538 C.ar 1 UNL1111111111 -0.3927 15 C -4.4546 -1.2283 -0.6645 C.ar 1 UNL1111111111 -0.1067 16 C -4.3642 0.7460 0.7335 C.ar 1 UNL1111111111 -0.1070 17 C -5.1019 -0.2058 0.0305 C.ar 1 UNL1111111111 -0.2496 18 H 0.8265 -2.0082 0.3847 H 1 UNL1111111111 0.2591 19 H 4.3808 1.4408 -0.2795 H 1 UNL1111111111 0.2825 20 H 3.2072 -2.6734 0.4647 H 1 UNL1111111111 0.2560 21 H -2.5398 -2.0922 -1.2016 H 1 UNL1111111111 0.2266 22 H -2.3862 1.4305 1.2899 H 1 UNL1111111111 0.2658 23 H -5.0382 -1.9661 -1.2129 H 1 UNL1111111111 0.1825 24 H -4.8762 1.5442 1.2695 H 1 UNL1111111111 0.1795 25 H -6.1881 -0.1498 0.0212 H 1 UNL1111111111 0.1880 26 H 5.5351 -1.9930 0.3046 H 1 UNL1111111111 0.4934 27 H 6.0085 -0.3858 0.0116 H 1 UNL1111111111 0.4655 28 H 1.0255 2.5156 -0.4161 H 1 UNL1111111111 0.3533 @BOND 1 1 11 1 2 1 12 1 3 2 6 1 4 2 28 1 5 3 11 2 6 4 8 1 7 4 26 1 8 4 27 1 9 5 6 ar 10 5 7 ar 11 5 11 1 12 6 9 ar 13 7 10 ar 14 7 18 1 15 8 9 ar 16 8 10 ar 17 9 19 1 18 10 20 1 19 12 13 ar 20 12 14 ar 21 13 15 ar 22 13 21 1 23 14 16 ar 24 14 22 1 25 15 17 ar 26 15 23 1 27 16 17 ar 28 16 24 1 29 17 25 1