IBS-ZINC02262057 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5460 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -0.3910 1.1940 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -0.5130 2.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -1.4330 0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 1.2020 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 2.0060 -0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8810 1.8300 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 4.0420 -0.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9770 3.5690 -1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 3.8350 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 4.5520 1.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 5.5170 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 6.0160 -0.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.9180 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.9080 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -0.4060 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -0.3820 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 1.7240 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 1.0360 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 2.7730 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 4.2030 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 4.4660 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 3.4390 0.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 3.9230 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 6.2770 -0.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 7.2180 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 M END