@MOLECULE 5-(carbamoylsulfanyl)-2-nitrobenzoic acid 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.7477 -0.9066 0.6016 S.3 1 UNL111111111 -0.0090 2 O 2.5189 -1.7666 -1.4177 O.3 1 UNL111111111 -0.5298 3 O 2.9421 -2.1251 0.7552 O.2 1 UNL111111111 -0.4518 4 O 2.9414 2.5395 0.0464 O.2 1 UNL111111111 -0.3763 5 O 3.6932 0.5333 -0.1872 O.2 1 UNL111111111 -0.3773 6 O -3.4927 1.3204 -0.7214 O.2 1 UNL111111111 -0.4899 7 N 2.7883 1.3325 -0.0137 N.pl3 1 UNL111111111 0.6173 8 N -5.1112 -0.2442 -0.5084 N.am 1 UNL111111111 -0.6568 9 C 1.2134 -0.5773 0.0852 C.ar 1 UNL111111111 -0.0601 10 C 1.4354 0.8023 0.1344 C.ar 1 UNL111111111 -0.0379 11 C -0.0797 -1.0750 0.2070 C.ar 1 UNL111111111 -0.1150 12 C -1.1413 -0.1845 0.3943 C.ar 1 UNL111111111 -0.0515 13 C 0.3748 1.6896 0.3194 C.ar 1 UNL111111111 -0.0928 14 C -0.9196 1.1891 0.4565 C.ar 1 UNL111111111 -0.1126 15 C 2.3291 -1.5439 -0.0961 C.2 1 UNL111111111 0.6376 16 C -3.8442 0.2376 -0.3233 C.2 1 UNL111111111 0.5317 17 H -0.2458 -2.1560 0.1465 H 1 UNL111111111 0.1841 18 H 0.5563 2.7711 0.3553 H 1 UNL111111111 0.1969 19 H -1.7462 1.8962 0.6003 H 1 UNL111111111 0.1954 20 H 3.2995 -2.3505 -1.6084 H 1 UNL111111111 0.3604 21 H -5.4235 -1.1425 -0.2038 H 1 UNL111111111 0.3177 22 H -5.7854 0.3199 -0.9983 H 1 UNL111111111 0.3195 @BOND 1 1 12 1 2 1 16 1 3 2 15 1 4 2 20 1 5 3 15 2 6 4 7 2 7 5 7 2 8 6 16 2 9 7 10 1 10 8 16 am 11 8 21 1 12 8 22 1 13 9 10 ar 14 9 11 ar 15 9 15 1 16 10 13 ar 17 11 12 ar 18 11 17 1 19 12 14 ar 20 13 14 ar 21 13 18 1 22 14 19 1