@MOLECULE 5-methyl-2,3,4-trinitrophenol 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2963 2.4672 0.0105 O.3 1 UNL1111111111 -0.4108 2 O 2.9958 -0.6405 -1.0695 O.2 1 UNL1111111111 -0.3482 3 O 2.9862 -0.6510 1.0915 O.2 1 UNL1111111111 -0.3478 4 O 0.0100 -2.4052 -1.0957 O.2 1 UNL1111111111 -0.3122 5 O 0.0156 -2.4227 1.0711 O.2 1 UNL1111111111 -0.3120 6 O -2.9979 -0.6372 -1.0782 O.2 1 UNL1111111111 -0.3407 7 O -3.0027 -0.6354 1.0794 O.2 1 UNL1111111111 -0.3403 8 N 2.4981 -0.3911 0.0093 N.pl3 1 UNL1111111111 0.6166 9 N 0.0128 -1.8719 -0.0079 N.pl3 1 UNL1111111111 0.5792 10 N -2.4949 -0.3983 0.0014 N.pl3 1 UNL1111111111 0.6083 11 C 1.2250 1.7289 -0.0027 C.ar 1 UNL1111111111 0.1896 12 C 1.2082 0.3134 0.0064 C.ar 1 UNL1111111111 -0.1560 13 C 0.0100 -0.3872 0.0031 C.ar 1 UNL1111111111 0.0944 14 C -1.2068 0.2979 0.0025 C.ar 1 UNL1111111111 -0.2408 15 C 0.0180 2.4111 -0.0045 C.ar 1 UNL1111111111 -0.2765 16 C -1.1941 1.7045 0.0036 C.ar 1 UNL1111111111 0.3664 17 C 2.5108 2.4663 -0.0170 C.3 1 UNL1111111111 -0.4808 18 H -0.0137 3.5039 -0.0133 H 1 UNL1111111111 0.2016 19 H 3.1295 2.2381 0.8707 H 1 UNL1111111111 0.1920 20 H 3.1232 2.2089 -0.9010 H 1 UNL1111111111 0.1923 21 H 2.3857 3.5598 -0.0368 H 1 UNL1111111111 0.1749 22 H -3.1456 1.9397 -0.0008 H 1 UNL1111111111 0.3507 @BOND 1 1 16 1 2 1 22 1 3 2 8 2 4 3 8 2 5 4 9 2 6 5 9 2 7 6 10 2 8 7 10 2 9 8 12 1 10 9 13 1 11 10 14 1 12 11 12 ar 13 11 15 ar 14 11 17 1 15 12 13 ar 16 13 14 ar 17 14 16 ar 18 15 16 ar 19 15 18 1 20 17 19 1 21 17 20 1 22 17 21 1