PUBCHEM-ZINC03874918 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 49 0 0 1 0 0 0 0 0999 V2000 -0.0530 1.3850 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.0110 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -0.6060 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 0.1480 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 1.5300 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 2.1440 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 -0.5200 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -0.9530 -1.7470 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6010 -1.9700 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 -2.3300 -2.8230 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6580 -1.4200 -3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4920 -3.2250 -2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3810 -4.4340 -2.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6660 -2.5340 -2.3000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9150 -3.1440 -1.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0020 -2.0870 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6910 -0.9120 -1.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 -3.0650 -3.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -2.9460 -5.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4100 -2.2350 -5.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 -3.8200 -5.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -3.6150 -7.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 -4.5680 -8.1690 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7790 -4.5610 -7.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -4.2990 -9.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -5.3870 -10.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 1.8640 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -0.5800 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -1.6800 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 2.1370 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 3.2150 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5830 0.1450 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -1.4290 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 -1.4210 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 -2.8800 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7610 -1.5310 -2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7050 -3.7260 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2600 -3.8250 -2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -3.6950 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 -4.8610 -5.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -3.5880 -5.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -2.5780 -7.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 -3.7290 -7.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0430 -2.5180 -0.9930 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5030 -3.1730 -10.1240 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3160 -5.9920 -8.0040 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6410 -6.6440 -7.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 -6.0920 -7.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 -6.2340 -9.0460 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 M CHG 1 44 -1 M CHG 1 45 -1 M CHG 1 46 1 M END