@MOLECULE (2,4-dinitrophenyl)acetic acid 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2096 -0.9906 -0.1743 O.3 1 UNL1111111111 -0.5486 2 O -2.4738 -0.6918 -1.5528 O.2 1 UNL1111111111 -0.4892 3 O -0.4670 2.8419 0.0229 O.2 1 UNL1111111111 -0.3690 4 O -2.1992 1.6317 0.4138 O.2 1 UNL1111111111 -0.4072 5 O 4.1989 -1.1366 -0.1811 O.2 1 UNL1111111111 -0.3916 6 O 3.8800 0.9749 -0.4713 O.2 1 UNL1111111111 -0.3742 7 N -1.0005 1.7669 0.2335 N.pl3 1 UNL1111111111 0.6342 8 N 3.4843 -0.1492 -0.2200 N.pl3 1 UNL1111111111 0.6244 9 C -0.6574 -0.6914 0.5816 C.ar 1 UNL1111111111 0.1414 10 C -0.1467 0.5844 0.2892 C.ar 1 UNL1111111111 -0.1164 11 C -2.1040 -0.9506 0.8418 C.3 1 UNL1111111111 -0.3767 12 C 0.2280 -1.7765 0.6187 C.ar 1 UNL1111111111 -0.2075 13 C 1.2129 0.7725 0.0161 C.ar 1 UNL1111111111 -0.0177 14 C 2.0641 -0.3288 0.0581 C.ar 1 UNL1111111111 -0.1114 15 C 1.5812 -1.6076 0.3583 C.ar 1 UNL1111111111 -0.0262 16 C -2.8889 -0.8424 -0.4365 C.2 1 UNL1111111111 0.6630 17 H -2.5264 -0.2369 1.5993 H 1 UNL1111111111 0.2246 18 H -2.2828 -1.9522 1.2992 H 1 UNL1111111111 0.1943 19 H -0.1520 -2.7759 0.8421 H 1 UNL1111111111 0.1772 20 H 1.6044 1.7762 -0.2292 H 1 UNL1111111111 0.2215 21 H 2.2675 -2.4640 0.3813 H 1 UNL1111111111 0.1913 22 H -4.7849 -0.8871 -0.9762 H 1 UNL1111111111 0.3637 @BOND 1 1 16 1 2 1 22 1 3 2 16 2 4 3 7 2 5 4 7 2 6 5 8 2 7 6 8 2 8 7 10 1 9 8 14 1 10 9 10 ar 11 9 11 1 12 9 12 ar 13 10 13 ar 14 11 16 1 15 11 17 1 16 11 18 1 17 12 15 ar 18 12 19 1 19 13 14 ar 20 13 20 1 21 14 15 ar 22 15 21 1