@MOLECULE 4-[(2-chloro-3-methylphenyl)amino]-3-thiophenecarboxylic acid 27 28 0 0 0 SMALL USER_CHARGES @ATOM 1 CL -2.1674 -1.8885 -0.7708 Cl 1 UNL111111111 -0.0569 2 S 3.0505 2.1201 -0.6956 S.2 1 UNL111111111 0.3347 3 O 3.9369 -2.0302 0.5958 O.3 1 UNL111111111 -0.5494 4 O 1.7497 -2.4388 0.6788 O.2 1 UNL111111111 -0.5389 5 N 0.0719 -0.2551 0.2115 N.pl3 1 UNL111111111 -0.4881 6 C -1.1851 0.3596 0.3244 C.ar 1 UNL111111111 0.2177 7 C 1.2413 0.4230 -0.0507 C.ar 1 UNL111111111 0.2879 8 C -3.6073 0.2220 0.0178 C.ar 1 UNL111111111 0.0855 9 C -2.3343 -0.3313 -0.0943 C.ar 1 UNL111111111 -0.1213 10 C 2.5249 -0.2566 0.0667 C.ar 1 UNL111111111 -0.2828 11 C -1.3386 1.6351 0.8894 C.ar 1 UNL111111111 -0.2503 12 C -3.7340 1.5018 0.5655 C.ar 1 UNL111111111 -0.2230 13 C -2.6066 2.1949 0.9985 C.ar 1 UNL111111111 -0.0816 14 C 1.3895 1.7296 -0.4736 C.ar 1 UNL111111111 -0.5010 15 C -4.8110 -0.5240 -0.4395 C.3 1 UNL111111111 -0.4532 16 C 3.5870 0.5584 -0.2491 C.ar 1 UNL111111111 -0.1584 17 C 2.6394 -1.6451 0.4665 C.2 1 UNL111111111 0.6779 18 H 0.1393 -1.2718 0.3536 H 1 UNL111111111 0.3618 19 H -0.4697 2.1734 1.2646 H 1 UNL111111111 0.1755 20 H -4.7174 1.9563 0.6575 H 1 UNL111111111 0.1601 21 H -2.7182 3.1877 1.4364 H 1 UNL111111111 0.1538 22 H 0.6028 2.4280 -0.6864 H 1 UNL111111111 0.1973 23 H 4.6293 0.2672 -0.2264 H 1 UNL111111111 0.1920 24 H -4.7446 -0.7864 -1.5083 H 1 UNL111111111 0.1724 25 H -4.9353 -1.4691 0.1146 H 1 UNL111111111 0.1730 26 H -5.7403 0.0466 -0.3093 H 1 UNL111111111 0.1563 27 H 4.0294 -2.9775 0.8755 H 1 UNL111111111 0.3589 @BOND 1 20 12 1 2 21 13 1 3 26 15 1 4 12 13 ar 5 12 8 ar 6 13 11 ar 7 24 15 1 8 15 8 1 9 15 25 1 10 8 9 ar 11 11 19 1 12 11 6 ar 13 22 14 1 14 9 6 ar 15 9 1 1 16 6 5 1 17 14 2 ar 18 14 7 ar 19 2 16 ar 20 5 7 1 21 5 18 1 22 7 10 ar 23 16 10 ar 24 16 23 1 25 10 17 1 26 17 4 2 27 17 3 1 28 3 27 1