PUBCHEM-ZINC05159569 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 -0.4190 0.8570 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 1.3880 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 1.5000 -1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 2.0570 -2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 2.4230 -3.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 2.2350 -3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 1.7570 -2.4640 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7300 3.0390 -5.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 4.8500 -5.0280 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 5.3070 -5.3310 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 6.6900 -5.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 5.0900 -4.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 4.3220 -6.3290 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6040 2.2610 -2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4030 1.9520 -1.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 1.1330 -0.5020 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7230 -0.1740 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 0.8570 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 1.4820 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 2.4850 -4.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 2.6660 -5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 2.7120 -5.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 3.3080 -3.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 1.6240 -3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 1.5870 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 1.6900 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 M CHG 1 7 1 M CHG 1 13 -1 M CHG 1 16 -1 M END