@MOLECULE 3,4-methylenedioxy-beta-nitrostyrene 21 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.1761 1.3150 0.2880 C.ar 1 UNL1 -0.1158 2 C 1.5233 1.7137 0.2223 C.ar 1 UNL1 -0.2017 3 C 0.7542 -1.0537 0.0302 C.ar 1 UNL1 -0.1712 4 C -0.2045 -0.0238 0.1911 C.ar 1 UNL1 -0.0622 5 O -4.8437 0.6946 -0.5091 O.2 1 UNL1 -0.3966 6 C 4.2935 -0.5289 -0.2067 C.3 1 UNL1 0.1558 7 C 2.0628 -0.6538 -0.0414 C.ar 1 UNL1 0.1200 8 C 2.4445 0.7090 0.0530 C.ar 1 UNL1 0.1536 9 C -1.6076 -0.4118 0.2642 C.2 1 UNL1 -0.0173 10 C -2.6050 0.3557 -0.2060 C.2 1 UNL1 -0.2238 11 O 3.1729 -1.4427 -0.2022 O.3 1 UNL1 -0.3317 12 O 3.8039 0.8242 -0.0445 O.3 1 UNL1 -0.3311 13 O -4.2259 -1.1647 0.3862 O.2 1 UNL1 -0.4159 14 N -3.9835 -0.0704 -0.1019 N.pl3 1 UNL1 0.6265 15 H -0.5830 2.0867 0.4310 H 1 UNL1 0.1670 16 H 1.8119 2.7576 0.3017 H 1 UNL1 0.1806 17 H 0.4643 -2.0989 -0.0392 H 1 UNL1 0.1831 18 H -1.8141 -1.3918 0.7249 H 1 UNL1 0.1881 19 H 4.9226 -0.7636 0.6635 H 1 UNL1 0.1473 20 H 4.7770 -0.5938 -1.1918 H 1 UNL1 0.1475 21 H -2.4789 1.3246 -0.6951 H 1 UNL1 0.1978 @BOND 1 20 6 1 2 21 10 1 3 5 14 2 4 6 11 1 5 6 12 1 6 6 19 1 7 10 14 1 8 10 9 2 9 11 7 1 10 14 13 2 11 12 8 1 12 7 3 ar 13 7 8 ar 14 17 3 1 15 3 4 ar 16 8 2 ar 17 4 9 1 18 4 1 ar 19 2 1 ar 20 2 16 1 21 9 18 1 22 1 15 1