IBS-ZINC01782762 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 32 0 0 1 0 0 0 0 0999 V2000 0.2560 1.5400 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 0.1410 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -0.1710 -0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -0.7140 -0.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -2.1400 -1.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6340 -2.5720 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -2.3650 -2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -2.0480 -2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0170 -2.9410 -2.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 -2.6260 -2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 -1.4330 -2.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 -0.5450 -3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 -0.8520 -3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2790 0.7230 -3.8750 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4020 1.4810 -4.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5020 0.9540 -3.9220 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3380 -3.5810 -1.6690 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2770 -3.8350 -0.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 -4.1050 -2.4770 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3760 -2.8880 -1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -2.1230 -1.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 2.2470 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.8050 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 1.6100 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -0.4110 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -3.4070 -2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -1.7680 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 -3.8690 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -0.1570 -3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -1.1750 -2.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -4.1490 -1.0680 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3290 -0.3020 -3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 31 1 0 0 0 0 30 32 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 31 -1 M END