IBS-ZINC03984089 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 1 0 0 0 0 0999 V2000 0.0530 1.4440 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.0570 0.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -0.4340 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 -0.7350 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -1.9600 0.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 0.0540 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 1.4270 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 2.1700 0.0960 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 1.8920 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 0.7700 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.3530 0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0960 0.8020 0.0140 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 3.3030 -0.0540 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0450 3.8740 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 3.7790 -1.4480 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7120 2.8930 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 4.4840 -1.0800 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6220 3.8280 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6590 4.7350 0.4140 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0550 5.6250 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 3.5860 0.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 4.8630 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 5.0210 2.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1220 4.3690 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9240 5.6950 -1.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 5.7640 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 4.6940 -1.9740 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9470 1.9060 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7290 1.9640 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6170 3.9650 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5670 5.7280 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 27 -1 M END