IBS-ZINC04652080 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2220 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 0.0420 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.5930 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 4.0620 1.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 5.4080 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 6.2600 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 7.6280 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 8.1490 1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 7.3010 3.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 5.9320 2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 5.0260 4.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1380 5.4860 5.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.8190 3.8350 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0440 9.8680 2.1610 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.1590 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -2.7860 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -0.4770 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 1.9820 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 3.9760 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 3.9420 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 5.8540 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 8.2910 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 7.7100 4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -2.8110 -0.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -3.7770 -0.0400 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END