-ISIS- 02039821402D 13 13 0 0 0 0 0 0 0 0999 V2000 0.8750 -0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -1.5583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5245 -1.9333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1740 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 -1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 -2.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4731 -1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5245 -2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1226 -1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 -0.2250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4987 0.5719 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5117 -0.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 7 2 0 0 0 0 2 3 1 0 0 0 0 6 8 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 8 10 1 0 0 0 0 1 11 1 0 0 0 0 1 5 1 0 0 0 0 1 2 2 0 0 0 0 4 6 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 G 11 1 NO2 M CHG 2 11 1 12 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 11 12 13 M SBL 1 1 8 M SMT 1 NO2 M SBV 1 8 0.5900 -0.5800 M END