PUBCHEM-ZINC06762070 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 20 0 0 1 0 0 0 0 0999 V2000 0.1140 1.4880 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.0460 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -0.4690 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -0.6450 0.1620 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2760 -1.7320 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -0.0190 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 0.8070 0.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -0.5130 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -0.4800 -2.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 1.8700 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.8450 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 1.9550 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -0.0700 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -1.5600 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -0.1050 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -0.4270 2.4590 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0450 -0.4450 -1.1610 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7070 -1.1890 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -0.3970 -1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 0.4470 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -0.8640 -1.2420 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 6 7 2 0 0 0 0 6 16 1 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 M CHG 1 16 -1 M CHG 1 17 1 M CHG 1 21 -1 M END