@MOLECULE 4-methyl-3,5-dinitroaniline 21 21 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4694 -0.0159 0.3645 O.2 1 UNL1111111111 -0.3936 2 O 3.3771 -0.1278 0.6985 O.2 1 UNL1111111111 -0.3878 3 O -2.5616 -1.8495 -0.2901 O.2 1 UNL1111111111 -0.3795 4 O 2.6699 -1.6245 -0.6790 O.2 1 UNL1111111111 -0.3739 5 N -2.4975 -0.6762 0.0343 N.pl3 1 UNL1111111111 0.6167 6 N 2.5067 -0.6351 0.0121 N.pl3 1 UNL1111111111 0.6139 7 N -0.0233 3.4842 -0.1950 N.pl3 1 UNL1111111111 -0.6176 8 C 0.0068 -0.7374 0.0681 C.ar 1 UNL1111111111 0.0524 9 C -1.1936 -0.0049 0.0070 C.ar 1 UNL1111111111 -0.0284 10 C 1.1908 0.0139 0.0065 C.ar 1 UNL1111111111 -0.0219 11 C -0.0097 2.1104 -0.1048 C.ar 1 UNL1111111111 0.2512 12 C -1.2175 1.3839 -0.0794 C.ar 1 UNL1111111111 -0.2178 13 C 1.2065 1.4029 -0.0669 C.ar 1 UNL1111111111 -0.2225 14 C 0.0162 -2.2138 0.2059 C.3 1 UNL1111111111 -0.4509 15 H -2.1749 1.9114 -0.1233 H 1 UNL1111111111 0.1952 16 H 2.1589 1.9435 -0.0882 H 1 UNL1111111111 0.1910 17 H -0.2937 -2.7053 -0.7374 H 1 UNL1111111111 0.1943 18 H 0.9959 -2.6431 0.4628 H 1 UNL1111111111 0.1774 19 H -0.6868 -2.5702 0.9780 H 1 UNL1111111111 0.1796 20 H 0.8255 4.0059 -0.1859 H 1 UNL1111111111 0.3110 21 H -0.8760 3.9916 -0.1650 H 1 UNL1111111111 0.3113 @BOND 1 1 5 2 2 2 6 2 3 3 5 2 4 4 6 2 5 5 9 1 6 6 10 1 7 7 11 1 8 7 20 1 9 7 21 1 10 8 9 ar 11 8 10 ar 12 8 14 1 13 9 12 ar 14 10 13 ar 15 11 12 ar 16 11 13 ar 17 12 15 1 18 13 16 1 19 14 17 1 20 14 18 1 21 14 19 1