IBS-ZINC02090496 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 25 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0180 -0.3810 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -0.4890 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 -1.1710 -0.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 -0.4910 1.2460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -0.6360 2.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -0.3630 2.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -1.1330 3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -1.4060 3.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -1.2780 4.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -1.7650 5.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -1.8360 7.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -1.5130 6.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -0.7090 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -1.0600 4.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -2.7580 5.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -1.0840 6.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 2.9850 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -0.1630 -2.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -2.2580 8.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.2870 8.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -0.4970 -3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 9 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 19 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 24 1 0 0 0 0 15 22 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 M END