IBS-ZINC04045207 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 1 0 0 0 0 0999 V2000 -0.0030 1.4710 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.0460 0.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9910 -0.4240 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -0.4250 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 0.2000 1.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.6700 -1.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -0.9010 -2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -1.5090 -3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 -1.8020 -4.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -1.4810 -4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -0.8780 -3.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -0.5900 -2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -1.7840 -5.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 -1.5070 -5.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 1.8420 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.7840 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 1.9690 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 -1.7540 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -2.2720 -5.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -0.6280 -3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 -0.1190 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -2.2770 -6.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -1.3180 2.0690 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 M CHG 1 23 -1 M END