@MOLECULE 4-nitro-2-phosphonobenzoic acid 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9979 1.3110 -1.4889 O.3 1 UNL1111 -0.3731 2 P 1.5389 1.4538 0.0316 P.3 1 UNL1111 0.2989 3 O 2.6259 0.6208 0.8587 O.3 1 UNL1111 -0.4092 4 O 1.3175 2.8156 0.5018 O.2 1 UNL1111 -0.3316 5 C 0.1952 0.2351 0.0014 C.ar 1 UNL1111 0.0724 6 C -1.1291 0.7056 0.0262 C.ar 1 UNL1111 -0.0222 7 C -2.1710 -0.2269 -0.0067 C.ar 1 UNL1111 -0.0927 8 N -3.5497 0.2484 0.0178 N.pl3 1 UNL1111 0.6200 9 O -3.7458 1.4442 0.1518 O.2 1 UNL1111 -0.3864 10 O -4.4407 -0.5777 -0.0959 O.2 1 UNL1111 -0.3993 11 C -1.9355 -1.6023 -0.0597 C.ar 1 UNL1111 -0.0678 12 C -0.6235 -2.0585 -0.0760 C.ar 1 UNL1111 -0.1663 13 C 0.4368 -1.1486 -0.0485 C.ar 1 UNL1111 0.0248 14 C 1.8052 -1.7434 -0.0816 C.2 1 UNL1111 0.6395 15 O 2.4972 -1.9749 -1.0331 O.2 1 UNL1111 -0.4590 16 O 2.1612 -2.1110 1.1745 O.3 1 UNL1111 -0.5335 17 H 2.6593 2.0514 -1.7268 H 1 UNL1111 0.3237 18 H 3.3441 1.2478 1.2184 H 1 UNL1111 0.3317 19 H -1.3888 1.7808 0.0749 H 1 UNL1111 0.2115 20 H -2.7735 -2.3082 -0.0850 H 1 UNL1111 0.1887 21 H -0.4214 -3.1316 -0.1078 H 1 UNL1111 0.1764 22 H 3.0936 -2.4394 1.2352 H 1 UNL1111 0.3532 @BOND 1 1 17 1 2 2 1 1 3 2 5 1 4 3 2 1 5 3 18 1 6 4 2 2 7 5 13 ar 8 5 6 ar 9 6 7 ar 10 6 19 1 11 7 11 ar 12 7 8 1 13 8 9 2 14 10 8 2 15 11 20 1 16 12 11 ar 17 12 21 1 18 13 12 ar 19 14 16 1 20 14 13 1 21 15 14 2 22 16 22 1