PUBCHEM-ZINC04588952 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 -0.1340 1.4680 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -0.0360 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -0.4650 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 0.3560 -1.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -1.8270 -1.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -2.8830 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -4.1000 -0.9670 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2240 -4.0900 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -3.9060 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -2.3870 -2.6450 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5580 -2.0650 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -2.0510 -3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -1.8810 -3.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -5.3120 -0.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -6.0260 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 1.9930 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 1.8310 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 1.7360 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -0.3640 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -0.5290 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -2.6340 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -3.0240 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -4.4300 -2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -4.3280 -2.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -2.0430 -4.9910 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 M CHG 1 25 -1 M END