PUBCHEM-ZINC06481194 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.2180 0.8980 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 1.0750 2.3800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2990 1.9110 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -0.1910 2.8350 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4750 -1.0580 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 0.1800 2.6260 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5420 0.8900 3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 0.9460 1.2790 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5060 0.3240 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 2.1940 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 3.1120 0.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 3.8260 0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -0.9350 2.5110 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5640 -0.4750 4.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -1.0430 4.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 0.9330 2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 2.1580 1.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 2.0600 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -0.1880 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 1.3710 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 1.1750 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 1.9230 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 2.7140 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 0.7110 3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 0.1300 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 1.4240 1.0850 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8560 2.4500 0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 2 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 13 -1 M CHG 1 26 1 M END