PUBCHEM-ZINC02567356 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 0 0 0 0 0 0999 V2000 0.0940 1.6190 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 0.1660 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -2.0580 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -2.3200 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -1.3370 0.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -0.3510 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -0.5270 -3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -0.6860 -3.2930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 3.7650 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 4.3560 2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 3.6140 3.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 1.6380 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 2.1070 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -0.3460 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 0.0970 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -2.5570 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -2.4530 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 0.6800 -2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -1.0250 -2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 4.3000 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 3.8880 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -0.5740 -1.0770 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3670 -0.2570 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -3.4560 0.9690 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3320 -0.4910 -4.8020 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7440 2.3400 1.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 1.9760 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 5.5170 2.3050 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 26 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 26 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 22 23 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 25 -1 M CHG 1 28 -1 M END