PUBCHEM-ZINC04517567 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.3090 0.7270 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.7670 -0.1620 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5930 -1.1010 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -1.5360 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -2.2110 0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -1.0010 1.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -0.8590 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 -0.6120 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 -0.4720 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 -0.5770 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -0.8230 2.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -0.9580 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -1.2150 3.5820 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9480 -0.7000 3.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -1.9410 4.4360 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3290 -0.4270 1.2290 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9460 -0.2110 0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9240 -0.5200 2.2880 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6280 1.2830 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 0.9010 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 1.0610 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -1.2550 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 -0.5300 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 -0.2790 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 -0.9050 3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 -1.4720 -1.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9640 -1.9830 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 16 1 M CHG 1 18 -1 M END