IBS-ZINC04060821 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 1.6800 3.8610 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 3.0160 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 1.7200 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 1.2440 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 2.1110 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 3.4080 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -0.1740 0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4040 -0.7630 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -0.8910 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 -0.6120 -2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 -1.0510 -3.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -0.2560 1.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8240 -1.2530 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -0.1190 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 0.4860 3.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 4.8680 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 3.3610 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 1.0790 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 1.8030 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 4.0630 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.9690 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -0.7520 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 0.0320 -1.3630 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8120 -0.6260 2.8970 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4890 0.6890 0.7650 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2210 0.6070 1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 1.6590 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8580 0.4470 -0.2260 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 25 28 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 24 -1 M CHG 1 25 1 M END