@MOLECULE (2e)-3-(2-methyl-1h-imidazol-5-yl)acrylate 18 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.0954 0.7644 0.0650 O.co2 1 UNL1 -0.4398 2 O 3.2777 -1.2987 -0.0723 O.co2 1 UNL1 -0.1161 3 N -1.7610 -0.8797 0.0313 N.ar 1 UNL1 -0.3736 4 N -2.6144 1.1998 -0.0354 N.ar 1 UNL1 -0.4021 5 C -0.6717 0.0132 0.0065 C.ar 1 UNL1 -0.0731 6 C -2.9249 -0.1148 0.0038 C.ar 1 UNL1 0.2661 7 C -1.2392 1.2978 -0.0342 C.ar 1 UNL1 0.0015 8 C -4.2784 -0.6964 0.0186 C.3 1 UNL1 -0.4475 9 C 0.6933 -0.4266 0.0210 C.2 1 UNL1 -0.0376 10 C 1.7268 0.4294 -0.0103 C.2 1 UNL1 -0.2796 11 C 3.1472 0.0149 0.0021 C.2 1 UNL1 0.4990 12 H -1.6906 -1.8711 0.0620 H 1 UNL1 0.3164 13 H -0.7511 2.2557 -0.0616 H 1 UNL1 0.1865 14 H -4.4369 -1.4161 -0.7993 H 1 UNL1 0.1706 15 H -4.5019 -1.2047 0.9706 H 1 UNL1 0.1736 16 H -5.0428 0.0974 -0.1017 H 1 UNL1 0.1973 17 H 0.8487 -1.5122 0.0596 H 1 UNL1 0.1614 18 H 1.6046 1.5156 -0.0441 H 1 UNL1 0.1970 @BOND 1 14 8 1 2 16 8 1 3 2 11 ar 4 13 7 1 5 18 10 1 6 4 7 ar 7 4 6 ar 8 7 5 ar 9 10 11 1 10 10 9 2 11 11 1 ar 12 6 8 1 13 6 3 ar 14 5 9 1 15 5 3 ar 16 8 15 1 17 9 17 1 18 3 12 1