PUBCHEM-ZINC03870100 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 26 0 0 1 0 0 0 0 0999 V2000 0.0620 1.5560 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 0.0420 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.7470 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -0.2690 -0.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 2.3650 -0.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8090 2.0370 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 3.8440 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 4.5520 -0.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3260 2.2280 -1.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 1.2980 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 0.4870 -0.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 1.4080 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 0.2890 -2.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 0.3590 -3.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 1.4070 -4.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 1.8090 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 1.8480 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -0.3130 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.2000 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 2.9110 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 1.3930 -3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 2.3840 -2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 0.2870 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 -0.6780 -2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -1.8050 0.4400 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4710 4.1720 1.2690 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8880 -0.6590 -3.8720 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 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 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 M CHG 1 25 -1 M CHG 1 26 -1 M CHG 1 27 -1 M END