IBS-ZINC04060819 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 1.2490 3.5380 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 2.3900 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 1.2680 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 1.2740 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 2.4430 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 3.5660 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 0.0200 -0.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1350 -0.8270 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 -0.2290 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 -1.6280 1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6630 -2.5510 0.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 0.0450 -1.1920 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4580 -0.8640 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 0.0190 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 0.6530 -3.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 4.4110 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 2.3640 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 0.3820 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2410 2.4930 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 4.4600 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 0.4890 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 -0.0590 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8040 -1.6950 2.6140 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1850 -0.6260 -2.8290 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8070 1.1970 -1.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 2.0480 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 1.2190 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 2 0 0 0 0 14 24 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 24 -1 M END