PUBCHEM-ZINC03869556 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 26 0 0 1 0 0 0 0 0999 V2000 -0.0840 0.9660 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.5130 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.7280 -1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -2.1940 -1.5550 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1150 -2.6540 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -2.3430 -2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 -3.1520 -2.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -3.9590 0.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0060 -3.5840 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -5.3280 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -3.9540 1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -2.9900 1.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 1.4360 0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 1.4930 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 1.0980 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -1.0070 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -0.9580 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -0.1530 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -0.3080 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7250 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -6.0420 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -5.2930 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -1.7020 -3.9120 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6940 -2.9830 -0.5580 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3960 -3.4480 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.4190 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 -4.8420 2.5710 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 24 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 24 1 M CHG 1 27 -1 M END