PUBCHEM-ZINC04523461 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 24 0 0 1 0 0 0 0 0999 V2000 -0.0940 1.5520 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 0.0290 -0.0560 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0890 -0.3650 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.4510 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -1.0210 -1.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -0.4670 1.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.4800 2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -0.0800 2.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -1.0820 3.5390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4650 -1.9030 3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -0.0180 4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -0.5120 5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.3830 6.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 1.9660 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 1.9280 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 1.9520 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -0.8260 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 0.2720 3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 0.8880 4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -0.2340 -2.4400 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3370 -0.0060 5.9520 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0860 -1.6990 4.5430 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4860 -1.7530 5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -2.6390 4.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -1.0830 4.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 21 -1 M CHG 1 22 1 M END