IFLAB-ZINC04359619 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.1510 0.9170 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 0.8720 2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 2.9640 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 3.4730 2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 5.0090 2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 5.5240 3.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 5.6720 4.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 6.0690 5.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 6.0690 6.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 6.4290 8.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 6.3670 9.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 5.9550 9.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 5.6000 7.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 5.6650 6.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 5.2950 5.1640 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 5.8970 10.1930 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 5.8830 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 6.3030 4.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 5.7690 1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 5.8500 1.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6290 7.0130 1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 8.1250 1.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0930 6.7050 1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1610 5.1970 1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7300 4.7550 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3620 3.5970 2.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -0.1750 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 1.2790 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 1.2780 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 1.2590 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -0.2170 2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 1.1580 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 3.2730 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 3.3330 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 3.0730 2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 3.1040 3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 5.4430 2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 5.3640 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 6.7490 8.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 6.6370 10.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 5.2850 7.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 6.5930 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 4.8050 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5130 7.2270 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6140 7.0270 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6690 4.9220 2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6660 4.7200 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 1.4470 1.4450 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5140 1.0960 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 48 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END