IFLAB-ZINC02457828 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -1.6700 -2.3660 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -1.1550 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -0.9330 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 0.1400 2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 1.0100 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 0.8100 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -0.2520 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -0.4100 -2.1460 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 0.1660 -2.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -1.7740 -2.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 0.6140 -3.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 2.0840 -2.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 2.8600 -3.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6560 2.4310 -4.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 0.9860 -4.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 0.1750 -3.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6740 3.3800 -3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 4.5350 -3.6170 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 3.0100 -4.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1010 3.2960 -3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4100 3.0120 -3.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6630 2.4570 -5.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6150 2.1830 -6.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2990 2.4760 -5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8910 1.5890 -7.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8830 1.1400 -8.0670 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3550 0.2130 3.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 1.2930 4.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -2.1050 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -3.1190 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -2.8340 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -1.6120 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 1.8480 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 1.4970 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 2.3190 -1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 2.3910 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 3.9350 -3.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 2.6730 -4.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 0.7000 -4.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 0.7540 -5.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -0.8820 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 0.3110 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9080 3.7450 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2380 3.2310 -3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6890 2.2420 -5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 2.2940 -6.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 1.2330 4.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 2.2580 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 1.2140 5.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0970 1.5780 -7.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 50 2 0 0 0 0 27 28 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 1 26 -1 M END