CHEMBRIDGE-ZINC02983116 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0310 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4210 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -0.8270 -0.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 0.5180 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 -0.0710 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5510 1.0150 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8680 0.7320 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2410 -0.4250 -0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 1.8280 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 1.5380 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 2.5660 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7180 3.8810 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3660 4.1760 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4360 3.1580 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7110 4.9790 -0.0900 N 0 3 0 0 0 0 0 0 0 0 0 0 13.9020 4.7230 -0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3380 6.1380 -0.0810 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7600 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.9770 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 1.1370 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 1.1280 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7130 -0.6900 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 -0.6810 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2530 1.9380 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5610 0.5110 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2020 2.3430 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0390 5.2050 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3810 3.3890 -0.0700 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 23 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END