PUBCHEM-ZINC05853747 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 45 0 0 1 0 0 0 0 0999 V2000 -0.8030 0.5110 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -0.7990 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -1.9680 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -0.7590 -1.5170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7190 -1.7570 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 0.1800 -1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 1.3040 -1.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -0.2880 -2.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 0.6910 -2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -1.0670 -3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -2.2700 -2.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -0.3010 -4.1610 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7750 0.3740 -4.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 0.4590 -3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 1.7970 -4.2690 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 1.1890 -5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 -1.3230 -5.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -2.2790 -4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -1.0680 -6.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 0.0510 -6.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 -2.3130 -6.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 -1.9820 -8.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4350 -3.2240 -8.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0690 -2.9460 -10.2330 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.3570 -2.5080 -10.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6970 -4.2150 -10.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9150 -3.9420 -11.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 1.0790 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 1.1180 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 0.3670 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -2.9150 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -2.0070 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 -0.2300 -2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 0.9230 -2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -3.0010 -7.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 -2.8000 -6.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5660 -1.2210 -8.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -1.5410 -8.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 -3.9970 -8.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 -3.6410 -8.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.2830 -0.7500 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.9940 -5.2400 -10.9840 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.2040 -1.9500 -10.1000 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.0660 -1.0730 -10.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5520 -1.8110 -9.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9600 -2.5100 -10.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 19 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 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 M CHG 1 41 -1 M CHG 1 42 -1 M CHG 1 43 1 M END