PUBCHEM-ZINC05411082 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 41 0 0 1 0 0 0 0 0999 V2000 1.0380 3.3790 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 2.5110 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 2.5460 0.6710 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5750 3.5710 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 1.7280 1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 0.8610 1.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 2.8330 -0.7110 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0550 2.8100 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4130 -1.3050 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1750 0.6970 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 1.1560 -2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 0.9080 -3.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.8500 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 4.3950 -2.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 4.1980 -1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6700 5.1520 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 5.0510 0.2550 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8440 5.1350 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 6.0880 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8310 5.4590 2.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 3.5600 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 4.3770 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 1.4690 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 2.8730 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 3.2690 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 4.6580 -2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 6.1760 -0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 4.9770 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 2.0090 2.9810 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5920 1.9530 -0.6530 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1880 1.1410 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 1.5390 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 2.5560 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 1.1750 -1.9990 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7130 1.0290 -1.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5930 1.1710 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 0.0080 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 7.2980 1.1450 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2580 3.6870 0.8970 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9460 3.0880 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3940 3.1840 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 4.0080 1.8310 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 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 30 1 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 M CHG 1 29 -1 M CHG 1 30 1 M CHG 1 34 -1 M CHG 1 38 -1 M CHG 1 39 1 M END