@MOLECULE phenol, p-(2-nitrovinyl)- 19 19 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.9764 0.4475 0.0038 C.2 1 UNL111 -0.2488 2 N -3.3776 0.0966 0.0015 N.pl3 1 UNL111 0.6347 3 O -3.6898 -1.0858 0.0207 O.2 1 UNL111 -0.4232 4 C -1.0279 -0.5074 -0.0015 C.2 1 UNL111 -0.0034 5 O -4.1896 1.0082 -0.0199 O.2 1 UNL111 -0.4005 6 C 0.4004 -0.2527 -0.0025 C.ar 1 UNL111 -0.1447 7 C 0.9304 1.0444 0.0057 C.ar 1 UNL111 -0.0256 8 C 2.3047 1.2529 0.0065 C.ar 1 UNL111 -0.3295 9 C 3.1464 0.1375 0.0006 C.ar 1 UNL111 0.3269 10 O 4.4945 0.2409 0.0033 O.3 1 UNL111 -0.4585 11 C 2.6489 -1.1739 -0.0087 C.ar 1 UNL111 -0.2628 12 C 1.2768 -1.3554 -0.0111 C.ar 1 UNL111 -0.0424 13 H -1.7956 1.5229 0.0099 H 1 UNL111 0.1938 14 H -1.3245 -1.5714 -0.0059 H 1 UNL111 0.1827 15 H 0.2637 1.9094 0.0118 H 1 UNL111 0.1572 16 H 2.7114 2.2587 0.0113 H 1 UNL111 0.1673 17 H 4.8057 1.1806 0.0059 H 1 UNL111 0.3332 18 H 3.3410 -2.0136 -0.0141 H 1 UNL111 0.1835 19 H 0.8697 -2.3695 -0.0201 H 1 UNL111 0.1600 @BOND 1 19 12 1 2 5 2 2 3 18 11 1 4 12 11 ar 5 12 6 ar 6 11 9 ar 7 14 4 1 8 6 4 1 9 6 7 ar 10 4 1 2 11 9 10 1 12 9 8 ar 13 2 1 1 14 2 3 2 15 10 17 1 16 1 13 1 17 7 8 ar 18 7 15 1 19 8 16 1