NCID-ZINC05848084 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 0 0 0 0 0 0999 V2000 0.1930 0.6870 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.0630 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -0.5030 -0.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -0.0840 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 0.8510 1.5750 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -0.3710 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 -1.2150 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -0.3700 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 0.0620 -0.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -0.3810 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 -1.1290 -2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -1.2990 -2.1030 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 -1.8620 -3.2910 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7310 -0.0290 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7220 -0.3460 -1.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 0.7190 0.5550 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0190 1.1910 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 2.4200 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8640 2.8890 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6360 4.6460 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0360 5.8350 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3500 6.4670 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7510 7.6540 -0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.1350 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 0.5740 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 -0.8990 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 -2.1910 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -0.7050 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 0.9260 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7530 0.3780 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 1.4280 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 3.2250 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 2.1880 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6350 2.1150 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7480 3.2120 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4700 4.9530 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3880 3.8510 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2400 6.5900 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1440 5.5070 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1450 5.7110 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2420 6.7940 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0070 8.4550 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9220 7.3570 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -1.4870 -1.5260 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5020 -2.0580 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 -2.0080 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 -0.6220 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3520 4.0710 0.1920 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.6240 4.8000 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4680 3.7900 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0250 8.2270 -0.0740 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.3180 9.0310 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9450 8.5640 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7940 7.5440 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 44 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 51 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 M CHG 1 44 1 M CHG 1 48 1 M CHG 1 51 1 M END