PUBCHEM-ZINC05118767 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.0890 0.1230 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 0.1560 3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 2.1820 1.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 2.6880 3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 4.2010 3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 4.6840 4.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 5.3190 5.2920 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6570 6.1920 5.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 5.7970 5.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 5.2500 5.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0490 4.5920 3.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 4.0930 2.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 5.2750 5.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 6.6100 6.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 7.0880 7.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 7.0350 7.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 6.3180 8.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9390 7.1570 8.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6660 8.4900 8.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1640 8.7240 7.6510 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 4.3690 6.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 3.2500 6.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 2.3810 7.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 2.6060 7.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 3.7110 7.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 4.5920 6.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 3.9400 7.3490 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7190 3.1570 8.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 4.8910 6.7440 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0880 -0.9690 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 0.5070 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 0.4440 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 0.5910 3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -0.9340 3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 0.4330 4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 2.4410 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 2.5910 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 2.1800 3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 2.4460 4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 4.7390 3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 4.4490 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 7.6830 8.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9150 5.2360 8.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8410 6.7990 9.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2760 9.3400 8.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 3.0380 6.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 1.5260 8.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 1.9170 8.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 5.4540 5.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 0.6700 2.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5260 0.2970 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 50 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 50 1 M END