IBS-ZINC04029925 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 1 0 0 0 0 0999 V2000 -0.3770 1.7330 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 0.2250 -0.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1620 0.0390 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -0.4270 -1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -1.3930 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -1.6230 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 -0.7790 -3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.0450 -2.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -0.6820 -4.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -1.4990 -5.3460 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9290 -0.5560 -0.3350 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -0.1830 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 -0.7330 1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3810 -1.9930 1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7330 -1.8690 1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9180 -0.5410 2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 0.1540 2.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1670 0.0470 2.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1800 -0.7210 2.7680 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6200 2.1890 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 1.9860 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 2.2160 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 -1.8790 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -2.3170 -2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -0.6250 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.9010 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8710 -2.8860 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4890 -2.6410 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 0.2100 -5.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1620 1.2830 3.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 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 29 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 30 2 0 0 0 0 M CHG 1 10 -1 M CHG 1 19 -1 M END