IBS-ZINC04729133 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -3.2010 1.0580 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 0.4660 1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 2.8920 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 3.4070 2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 5.5580 3.5380 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5830 5.1910 5.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 5.9390 5.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4740 7.4470 5.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 7.8540 4.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6370 7.1130 3.3630 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9610 7.3540 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 7.6760 3.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 6.9940 2.4950 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7650 7.1650 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 5.4550 2.7170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6210 4.8880 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 5.5490 1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 7.0670 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 7.6620 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 5.1250 3.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 4.8430 4.9590 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 5.1070 3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 4.7010 2.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 0.0400 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 1.1150 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0260 1.7470 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 0.5480 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -0.5370 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 0.6970 2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 3.4770 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 2.9380 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 3.0330 3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 2.9440 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 4.1170 5.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 5.4230 5.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 5.6160 5.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 5.6780 6.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 7.9420 6.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 7.7910 6.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 7.6580 3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 8.9380 4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 8.7570 3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 7.5440 4.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 3.8090 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 5.0320 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 5.2680 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 5.1610 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 7.4970 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 7.3470 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 8.7390 2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 7.5570 3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 1.4490 1.3020 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3070 1.3920 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 4.8850 2.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 52 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 52 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 3 0 0 0 0 22 23 3 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END