CHEMBRIDGE-ZINC02873545 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.6170 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 0.1450 2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -0.4650 3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -1.8620 3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -2.6300 2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -2.0060 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -2.8120 0.0240 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0910 -4.0290 0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -2.2600 -0.9070 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5720 -2.5200 4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -3.7310 4.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 -1.6920 5.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -2.7840 6.6080 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 -1.5860 7.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2560 -2.0030 8.8420 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 -2.9520 9.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7540 -1.1000 9.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3510 -1.4640 10.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 0.2620 9.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 0.6340 8.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -0.3060 7.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 1.9710 8.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 1.2230 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 0.1310 3.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -3.7090 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -1.0500 4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -1.0760 5.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 1.0090 10.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 2.6510 8.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 2.2290 7.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 23 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 34 1 0 0 0 0 24 35 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END