CHEMBRIDGE-ZINC05008513 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.4890 0.0720 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -1.3890 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -1.4470 1.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -1.4520 2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -1.4100 2.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -1.5130 3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.5320 4.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -1.3100 5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -2.0720 6.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 -1.8590 6.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -0.8890 5.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -0.1300 4.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -0.3300 4.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 0.9000 4.1450 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3350 1.5660 3.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 1.0810 4.4840 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4310 -1.5570 2.6520 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -1.5010 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -1.5110 -0.4360 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 0.5540 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 0.1150 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 0.5880 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 -1.8720 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -1.9050 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -1.7120 5.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -2.8250 6.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 -2.4460 7.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 0.2640 3.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -0.6840 6.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 -0.0230 6.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END