PUBCHEM-ZINC04607852 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 0.0000 1.3300 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.0310 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -0.6540 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 0.0790 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 1.4340 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 2.0640 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.7920 0.6060 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 4.1160 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 5.6000 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 5.8680 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 4.9660 1.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 2.2150 -0.1310 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6730 1.6630 -0.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 3.4100 0.1060 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2400 -2.1060 -0.5650 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1820 -2.7850 -0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -2.6210 -1.1680 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1620 -0.7730 0.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 1.8180 0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 -0.4080 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 3.8530 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 3.5160 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 5.8620 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 6.2000 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -0.3220 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -1.7400 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 7.1100 1.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5710 7.2340 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 15 1 M CHG 1 17 -1 M END