IBS-ZINC05026071 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.3240 0.8800 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -0.0860 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -0.8040 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 0.1860 1.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 1.0940 1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 1.8690 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 -0.4360 2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -0.2330 2.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0670 -0.8780 3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 -1.6630 4.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 -1.8330 4.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -1.2310 3.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -2.6570 4.9900 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 -3.2260 5.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 -2.8340 7.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -2.5500 7.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -1.9140 5.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4410 -0.7060 3.2450 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 0.6470 1.2290 N 0 3 0 0 0 0 0 0 0 0 0 0 5.0850 1.8350 1.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 0.1850 0.1700 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8330 1.4250 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 0.3180 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.8190 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 0.4720 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -1.3720 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 -1.4820 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 0.5170 2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 1.7950 2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 2.4580 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 2.5320 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 -4.3110 5.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -2.8140 5.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -3.6580 8.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -1.9380 7.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -3.4750 7.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -1.8480 7.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -0.8570 5.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -2.0420 5.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 -0.1330 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9660 -1.1590 3.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END