PUBCHEM-ZINC02685372 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 0.4260 1.4480 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 0.2780 -0.5170 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -0.1620 -1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -1.5130 -2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -1.8830 -3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -0.9520 -4.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 0.3930 -3.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 0.7980 -2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 1.4540 -4.5090 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6460 1.8210 -4.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 1.9530 -5.4000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2750 -1.4420 -5.3560 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 -1.5980 -6.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.0210 -7.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -1.0720 -8.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -3.3020 -3.3570 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7910 -3.7820 -2.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -3.9290 -3.9590 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3940 0.9950 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 2.3640 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 1.7110 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -2.2790 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 1.8570 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -2.3550 -6.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -0.6420 -6.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -3.2690 -8.1090 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 22 1 0 0 0 0 5 6 1 0 0 0 0 5 16 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 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 26 -1 M END