IFLAB-ZINC05154643 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -0.4390 1.1810 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -0.3120 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -1.1160 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -0.7020 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -0.5380 -1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -1.9250 -1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -2.8850 -1.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -2.0080 -3.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -2.9180 -3.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 -0.9190 -3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 0.2590 -3.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 0.4610 -1.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -1.2250 -4.8590 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 -0.4360 -5.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1260 0.9430 -5.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 1.6580 -6.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 1.0040 -7.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -0.3700 -7.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -1.1030 -6.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 -2.6000 -7.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -3.1680 -6.1510 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5940 1.5230 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 1.8130 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 1.3620 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -0.8670 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -2.1960 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -0.9070 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 -0.1980 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -1.7780 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -0.4260 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -2.2250 -5.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 1.4880 -4.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 2.7290 -6.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 1.5620 -8.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -0.8800 -8.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 -3.1650 -8.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 12 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 36 2 0 0 0 0 M CHG 1 21 -1 M END