@MOLECULE 1-(4-nitrophenyl)-2-propen-1-one 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0496 1.3413 -0.4785 O.2 1 UNL1111111111 -0.4146 2 O 3.6460 -1.2458 -0.0778 O.2 1 UNL1111111111 -0.3942 3 O 3.8047 0.8866 0.1675 O.2 1 UNL1111111111 -0.3893 4 N 3.1525 -0.1347 0.0280 N.pl3 1 UNL1111111111 0.6142 5 C -1.0543 0.1840 -0.0491 C.ar 1 UNL1111111111 -0.0955 6 C 1.6987 -0.0228 -0.0108 C.ar 1 UNL1111111111 -0.0532 7 C -0.4538 -1.0556 -0.2720 C.ar 1 UNL1111111111 -0.1380 8 C -0.2797 1.3242 0.1696 C.ar 1 UNL1111111111 -0.1140 9 C 0.9332 -1.1665 -0.2528 C.ar 1 UNL1111111111 -0.1013 10 C 1.1086 1.2262 0.1950 C.ar 1 UNL1111111111 -0.1018 11 C -2.5391 0.3312 -0.0531 C.2 1 UNL1111111111 0.4447 12 C -3.3352 -0.7820 0.5006 C.2 1 UNL1111111111 -0.2925 13 C -4.6193 -0.9300 0.1713 C.2 1 UNL1111111111 -0.1716 14 H -1.0657 -1.9386 -0.4653 H 1 UNL1111111111 0.1677 15 H -0.7677 2.2928 0.3146 H 1 UNL1111111111 0.1818 16 H 1.4196 -2.1326 -0.4220 H 1 UNL1111111111 0.1884 17 H 1.7286 2.1118 0.3698 H 1 UNL1111111111 0.1906 18 H -2.8214 -1.4474 1.1914 H 1 UNL1111111111 0.1681 19 H -5.2480 -1.7238 0.5527 H 1 UNL1111111111 0.1473 20 H -5.1372 -0.2587 -0.5086 H 1 UNL1111111111 0.1630 @BOND 1 1 11 2 2 2 4 2 3 3 4 2 4 4 6 1 5 5 7 ar 6 5 8 ar 7 5 11 1 8 6 9 ar 9 6 10 ar 10 7 9 ar 11 7 14 1 12 8 10 ar 13 8 15 1 14 9 16 1 15 10 17 1 16 11 12 1 17 12 13 2 18 12 18 1 19 13 19 1 20 13 20 1