PUBCHEM-ZINC04098580 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 1 0 0 0 0 0999 V2000 0.0080 1.5280 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 0.0110 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 0.0320 1.1630 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6900 -0.3580 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 1.5690 1.2200 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6690 1.8560 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 2.0970 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9220 1.8590 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 3.5190 0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 3.7250 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 2.0290 1.0860 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9330 -0.6590 2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -2.0350 2.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -2.4850 3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.8880 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 1.9090 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -0.4060 0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -0.4070 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -0.6180 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -0.2180 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -0.4450 1.1620 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3800 -0.1400 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -1.4750 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 11 -1 M CHG 1 21 1 M END