OTAVA-ZINC06142280 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.0430 1.4570 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 0.1060 0.1820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -0.5770 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 0.1840 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 1.5670 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 2.2750 0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 2.0380 -0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 0.9490 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -0.1880 -0.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8240 3.4300 -0.3550 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9720 4.0530 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 3.8410 -1.7230 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1650 3.0970 -2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 5.0970 -1.2890 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5010 5.9580 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 4.6970 0.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7400 5.5440 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 3.6780 0.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 4.1310 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 3.8530 1.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8940 3.3920 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1290 5.4590 -2.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 5.3170 -3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 4.1880 -2.5930 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1240 -1.9590 0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 -2.7540 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -4.2310 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -5.1490 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -4.5860 0.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 1.9490 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 1.0480 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2110 3.1910 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8770 4.8410 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -2.3970 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -2.5230 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -2.5070 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -4.4590 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 -4.4750 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -6.3830 0.1620 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 25 26 1 0 0 0 0 25 34 1 0 0 0 0 26 27 1 0 0 0 0 26 35 1 0 0 0 0 26 36 1 0 0 0 0 27 28 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 28 29 2 0 0 0 0 28 39 1 0 0 0 0 M CHG 1 24 -1 M CHG 1 39 -1 M END