PUBCHEM-ZINC05390776 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 0.0060 1.3770 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -0.0030 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.6800 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 0.0350 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 1.4150 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.0850 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 3.5640 -0.0980 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0820 4.1560 0.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 4.1900 -0.3440 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6540 -0.6810 -0.4920 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7040 -0.2210 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -1.7310 -1.1090 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2580 -2.0750 0.0840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.8320 0.2580 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6660 -2.2750 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -4.1990 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -5.0600 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 -4.6800 -0.9710 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -5.6050 -1.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -4.4840 -0.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -3.0660 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 1.9030 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -0.5560 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 1.9710 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -2.5440 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -4.6720 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -4.0740 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 -6.1190 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -4.7540 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -2.2800 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -3.1040 -1.8980 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 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 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 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END