@MOLECULE para-nitrophenylglyoxal 18 18 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0943 -1.4870 -0.5832 O.2 1 UNL1111111111 -0.3597 2 O 3.5377 1.2751 -0.1721 O.2 1 UNL1111111111 -0.3858 3 O 3.7740 -0.8222 0.2539 O.2 1 UNL1111111111 -0.3868 4 O -3.4343 1.6711 0.1953 O.2 1 UNL1111111111 -0.3647 5 N 3.0871 0.1593 0.0257 N.pl3 1 UNL1111111111 0.6119 6 C -1.1055 -0.3239 -0.0572 C.ar 1 UNL1111111111 -0.1064 7 C 1.6368 -0.0102 -0.0091 C.ar 1 UNL1111111111 -0.0430 8 C -0.5531 0.9355 -0.2946 C.ar 1 UNL1111111111 -0.1186 9 C -0.2885 -1.4301 0.1887 C.ar 1 UNL1111111111 -0.1100 10 C 0.8294 1.0984 -0.2731 C.ar 1 UNL1111111111 -0.1058 11 C 1.0942 -1.2767 0.2200 C.ar 1 UNL1111111111 -0.1099 12 C -2.5713 -0.5233 -0.0876 C.2 1 UNL1111111111 0.3351 13 C -3.4368 0.5360 0.5879 C.2 1 UNL1111111111 0.2509 14 H -1.1988 1.7951 -0.5052 H 1 UNL1111111111 0.1886 15 H -0.7354 -2.4152 0.3461 H 1 UNL1111111111 0.1771 16 H 1.2781 2.0807 -0.4594 H 1 UNL1111111111 0.1933 17 H 1.7480 -2.1337 0.4153 H 1 UNL1111111111 0.1916 18 H -4.0523 0.1937 1.4273 H 1 UNL1111111111 0.1422 @BOND 1 1 12 2 2 2 5 2 3 3 5 2 4 4 13 2 5 5 7 1 6 6 8 ar 7 6 9 ar 8 6 12 1 9 7 10 ar 10 7 11 ar 11 8 10 ar 12 8 14 1 13 9 11 ar 14 9 15 1 15 10 16 1 16 11 17 1 17 12 13 1 18 13 18 1