IBS-ZINC01833557 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 0.1820 1.5140 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 0.0260 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -0.7070 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -2.0980 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -2.7980 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -2.0820 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -0.6810 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 0.1450 -2.8100 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.1250 -2.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -0.8640 -3.8510 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 1.0020 -2.8440 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 0.3910 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7430 1.1620 -1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 0.6370 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3530 -0.6670 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -1.4210 -2.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -0.8920 -2.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 -1.2420 -1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6200 -0.4260 -1.2730 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4080 -4.2560 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -5.0750 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -6.5970 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -7.0690 0.0430 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1800 1.7980 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 2.0430 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 1.8670 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.2000 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -2.6310 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -2.6270 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 2.0010 -2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 2.1750 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 1.2480 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 -2.4350 -2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 -1.5060 -3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -4.6580 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -4.6850 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8540 -2.5000 -1.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -7.2040 1.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 37 2 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 38 2 0 0 0 0 M CHG 1 19 -1 M CHG 1 23 -1 M END