methyl 8-nitro-1,4-benzodioxane-2-carboxylate.mol corina 06062313103D 1 1.00000 0.00000 CORINA 4.4.0 0026 12.08.2021 17 18 0 0 0 0 0 0 0 0999 V2000 -6.0343 1.2100 0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2025 2.3873 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 3.1096 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8221 2.6547 0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6529 1.4696 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 0.7501 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7464 3.3804 1.3221 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4834 2.7064 1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3295 1.9397 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4075 1.0032 -0.0849 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0143 1.2041 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1389 1.8910 0.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3672 1.1168 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5866 -0.5113 -0.9651 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5612 -1.1437 -1.3306 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4667 -0.9168 -1.2202 O 0 5 0 0 0 0 0 0 0 0 0 0 15 16 2 0 15 17 1 0 6 15 1 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 9 11 1 0 11 12 1 0 11 13 2 0 12 14 1 0 M CHG 2 15 1 17 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 15 16 17 M SBL 1 1 3 M SMT 1 NO2 M SBV 1 3 0.0000 -0.8250 M END $$$$