IBS-ZINC04814048 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 0.8700 1.6240 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 0.2420 -0.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.3830 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -0.6150 -1.6440 S 0 0 3 0 0 0 0 0 0 0 0 0 1.1560 -1.8080 -1.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -1.9570 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -3.2090 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -3.3460 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 -2.2670 1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -1.0340 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -0.8670 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 -2.4360 2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 -2.8400 2.2290 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8270 -1.2190 3.3870 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -3.4060 3.5870 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 0.2110 -2.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -1.1430 -1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -0.3380 -2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 -0.7520 -2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 -1.9710 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -2.7760 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -2.3640 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 -2.4140 -2.3970 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.2110 -1.7040 -2.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7840 -3.4880 -1.9510 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9540 1.6310 -0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 2.0880 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 2.1820 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 0.3030 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -0.6150 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -1.3010 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -4.0490 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0650 -4.2980 1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 -0.2050 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 0.0910 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 0.6140 -2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 -0.1230 -3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -3.7280 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -2.9950 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 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 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 16 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END