IFLAB-ZINC02455631 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.0110 1.3600 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 0.0000 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -0.6570 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 0.0470 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 1.4080 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 2.0640 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 3.5210 -0.4760 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4210 4.2350 0.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 4.0060 -1.4740 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7150 2.3050 -0.9770 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 3.5920 -0.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 2.3950 -2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 3.1460 -3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 3.5770 -2.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 -0.6560 -0.4190 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7540 -1.8540 -0.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 -0.0360 -0.7950 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1320 -0.7680 0.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -1.2370 -0.2230 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 -1.8520 1.6710 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 0.0730 1.6460 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 1.8720 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -1.7200 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 1.3870 -3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 2.9140 -2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 3.3380 -4.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4170 3.8250 -5.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 15 1 M CHG 1 17 -1 M END