IFLAB-ZINC04939710 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 1.8580 2.4480 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 2.9870 -2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 3.8880 -2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 4.3830 -3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6990 3.9780 -4.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 3.0790 -4.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 2.5750 -3.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 1.6580 -3.5540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 0.9200 -4.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 0.9810 -5.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 0.0190 -4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -0.7780 -6.1290 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0370 -1.4800 -6.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 0.1670 -7.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 0.2190 -8.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -2.4140 -7.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -3.1050 -7.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -2.9570 -4.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -2.2660 -4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -4.5930 -6.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 4.5110 -5.7220 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2600 5.3050 -5.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 4.1550 -6.8190 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0300 3.0970 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 1.4430 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 2.4150 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 4.2050 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 5.0870 -3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 2.7640 -5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 1.5540 -2.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -0.6680 -3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 0.6220 -4.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -1.8350 -8.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -3.1650 -7.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -3.7920 -8.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 -2.3550 -7.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -2.2060 -4.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7150 -3.5360 -3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -3.0160 -4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -1.5800 -4.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 -3.8930 -6.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 -5.2970 -6.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 -5.1380 -5.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 0.9510 -7.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -1.5180 -6.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -3.8530 -6.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 1.5400 -8.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 45 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 46 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 18 46 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 45 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 44 47 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END