PUBCHEM-ZINC06762073 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 20 0 0 1 0 0 0 0 0999 V2000 0.2360 1.6820 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 0.1540 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -0.4240 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -0.2820 -0.0670 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9210 0.2010 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -0.0130 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -1.0900 1.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -0.4600 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -1.6710 -1.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 2.0050 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 2.1230 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 2.1200 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -0.0120 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -1.5150 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -0.1860 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 1.1590 1.4970 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4800 -1.7710 -0.3610 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5030 -2.2180 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -2.0450 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -2.0250 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6210 0.2600 -1.9460 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