PUBCHEM-ZINC05941288 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 0.1300 1.9300 -2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 0.6130 -2.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.1100 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 0.5560 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 1.9140 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 2.6660 -1.8190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 2.3050 -0.2950 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 1.1890 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 0.1150 0.0770 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 3.6470 -0.2430 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1100 4.2010 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3990 4.4900 1.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4190 5.5340 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 4.2430 1.7320 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8150 3.2620 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 4.3330 0.5220 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7530 5.3610 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 3.5710 -0.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0630 3.7450 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7850 3.8710 -0.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 3.5240 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 4.9320 4.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 6.1140 5.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 5.8620 6.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 5.5210 6.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4050 4.3430 5.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8600 4.5790 4.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 4.1470 1.8960 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4450 -1.4580 -1.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.4680 -3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 1.2120 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6330 4.2780 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0230 2.6810 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 4.0650 4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 7.0290 4.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 6.3000 5.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 6.7480 7.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 5.0380 6.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6900 6.3960 6.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 5.2850 7.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4850 4.1650 5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9510 3.4350 5.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0200 3.6670 3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4330 5.3830 3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -1.8670 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -1.9980 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 5.3080 2.7770 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3050 6.1730 2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 5.5170 2.9110 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 30 1 0 0 0 0 2 3 2 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 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 2 0 0 0 0 8 31 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 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 22 34 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 M CHG 1 28 -1 M CHG 1 47 1 M END