IFLAB-ZINC02455632 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 0.4650 1.7970 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 0.7520 -1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -0.3430 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -0.3920 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 0.6540 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 1.7480 0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 2.8670 1.7900 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4640 3.3380 1.8610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 3.3170 2.4840 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2530 0.5900 2.9510 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 1.2980 3.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -0.7910 3.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 1.5130 2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 1.5290 4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 0.9750 5.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -1.5650 0.8900 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2750 -2.6910 0.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 -1.4040 1.4820 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2130 0.8060 -2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 1.4130 -3.5410 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.4930 -3.1790 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 1.5490 -2.7650 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 2.6550 -0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -1.1590 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 1.0330 2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 2.5360 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 2.1590 4.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 2.1430 5.3910 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 16 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 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 16 1 M CHG 1 18 -1 M END