PUBCHEM-ZINC05131968 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 22 0 0 1 0 0 0 0 0999 V2000 -0.0300 1.5970 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 0.0630 0.0850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5260 -0.2610 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -0.5150 -0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9390 -0.1270 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -2.0480 -0.0450 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0070 -2.4840 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -2.5640 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 -3.5410 -0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -2.5470 -1.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -0.0470 1.0990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -0.6440 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 -0.4680 1.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -0.0410 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 2.0990 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 1.4180 0.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 3.5150 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 4.3000 -0.3820 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5800 2.0170 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 1.9520 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -3.2500 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -1.9430 0.6110 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9050 3.7880 -0.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 M CHG 1 18 -1 M CHG 1 22 -1 M END