CHEMBRIDGE-ZINC00456128 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4980 -0.3780 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.5410 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -0.3190 1.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -1.2680 1.9790 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -1.4860 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -0.6770 0.1370 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -2.2330 2.3370 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -2.8190 3.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -2.6840 3.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -3.6250 4.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 -4.2320 5.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -4.9840 6.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -5.1360 5.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 -4.5360 4.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -3.7770 3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -2.3410 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -4.1150 5.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -5.4540 7.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4490 -5.7250 6.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1200 -4.6590 4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 -3.3060 2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 M END