IFLAB-ZINC05258114 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 -0.3210 1.6150 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 0.1450 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 -0.4720 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -1.8370 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -2.6160 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -1.9950 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -0.6190 -1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -2.7490 -1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -4.0010 0.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -4.7860 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -4.4480 2.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -6.2370 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -6.8600 2.6070 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3820 -6.4870 3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -8.3940 2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -8.9200 2.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -6.4030 4.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -6.2350 5.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 -6.1110 7.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -5.9570 7.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -5.8400 9.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 -5.6960 10.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 2.1740 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 1.8450 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 1.9590 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 0.1020 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.2590 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -0.1350 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -3.5520 -2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -2.0990 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -3.1700 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 -4.4640 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -6.7740 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -6.3200 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -5.5300 5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -7.3090 5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -5.3430 5.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -7.0940 5.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -7.0000 7.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -5.2450 7.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -5.0670 7.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -6.8210 7.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -6.7280 9.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -4.9740 9.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5510 -4.7890 9.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 -6.5680 9.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -8.8770 1.8540 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7180 -6.5300 3.4930 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2110 -5.6870 3.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -7.3920 3.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7840 -5.5870 11.6040 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6700 -5.4900 12.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -4.7690 11.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -6.4200 11.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 15 16 2 0 0 0 0 15 47 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 51 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 47 -1 M CHG 1 48 1 M CHG 1 51 1 M END