IBS-ZINC02298868 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 0 0 0 0 0999 V2000 -0.4910 0.2080 1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -1.0980 1.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -1.8480 2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -1.5480 3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -2.3340 4.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -3.4240 3.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 -3.7360 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -2.9600 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -3.3140 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -4.4150 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -4.5160 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -4.2430 -1.5450 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0910 -5.3230 1.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -6.5190 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -7.0610 -0.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -7.2240 2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -8.6250 2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -9.3290 3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -8.6070 4.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -7.2000 4.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 -6.5140 3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -6.6040 5.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -5.1840 5.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -9.2920 5.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -9.5870 5.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -10.6960 3.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -11.4450 2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 0.8260 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 0.6780 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 0.1700 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -0.7130 4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 -2.1020 5.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9160 -4.0350 3.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 -4.5890 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -2.5990 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -5.0740 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -9.1380 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 -5.4320 3.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -4.7410 4.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -4.8080 5.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -4.8820 6.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -10.1320 6.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -10.2280 4.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 -8.6720 5.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -11.2090 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -11.2940 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -12.5050 2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -4.7620 -2.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 48 2 0 0 0 0 13 14 1 0 0 0 0 13 36 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 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 12 -1 M END