IBS-ZINC05197739 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 1.2630 1.1500 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -0.1600 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -0.9700 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -2.0930 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -1.9440 -0.3910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -0.7380 -0.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -0.3800 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -3.2320 1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -2.9980 3.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -4.0590 3.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -5.3630 3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -5.6050 2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -4.5450 1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -4.7800 -0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -6.4040 4.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -6.0850 5.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -7.3570 6.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 -7.9630 6.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -9.1300 7.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -9.6900 7.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -9.0830 7.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -7.9140 6.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -10.9400 8.7510 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1790 -11.4750 9.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -11.4330 8.9970 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7580 -0.7210 1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 0.3380 2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 0.5650 3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5530 -0.2580 4.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 -1.3120 3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 -1.5510 2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 0.9700 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 1.8050 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 1.6250 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -1.9850 3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -3.8760 4.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -6.6200 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -4.8680 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -5.5200 5.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -5.4850 5.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5190 -7.5260 6.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -9.6040 8.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -9.5200 7.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 -7.4370 6.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 0.9820 2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 1.3860 4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -0.0780 4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 -1.9520 3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -2.3760 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 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 36 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 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 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 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 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END