PUBCHEM-ZINC04228279 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 1 0 0 0 0 0999 V2000 0.1210 1.0850 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -0.2090 0.2490 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5950 -0.7370 0.2690 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6210 -1.5180 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -1.4840 -1.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3010 -2.3540 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -1.9040 -1.3600 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0920 -2.9870 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -1.3130 -0.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -1.5490 -2.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -0.5370 -2.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -0.6000 -2.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 0.0450 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 0.2260 0.2610 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3660 -0.0140 1.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 1.1390 -0.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 0.4330 -1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 1.1560 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 1.9760 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 0.3500 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -2.3460 -3.6730 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 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 M CHG 1 14 -1 M CHG 1 21 -1 M END