IBS-ZINC04712228 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7970 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.1280 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.2820 1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -3.1580 2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -4.2540 3.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -3.6740 5.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -2.2790 4.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.0020 3.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -1.2820 6.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -1.6910 7.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -0.7470 8.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.6040 8.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 1.0170 6.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 0.0880 5.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 2.4620 6.3880 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0310 3.3520 7.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 2.8570 5.1310 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0220 -2.0680 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -3.0080 -1.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7570 -1.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.4480 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -4.2610 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -5.3120 3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -4.1900 6.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -2.7420 7.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -1.0580 9.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 1.3390 8.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 0.4120 4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 33 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 22 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END