PUBCHEM-ZINC05934787 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 -1.1890 2.2200 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.0980 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 0.7450 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 1.5020 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.6690 1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 3.0060 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 3.6150 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2610 3.0590 2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 1.5680 2.2770 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7080 0.9610 2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 1.2740 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 1.1600 0.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1040 -0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 0.4690 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 1.1890 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 2.3200 -2.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 1.5110 4.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8110 2.6040 4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 1.0080 5.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3830 1.6910 4.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 1.2430 5.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8790 1.8800 4.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 0.9170 5.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 -0.3130 5.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 2.4930 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 0.4900 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.1470 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 3.8980 1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 3.8550 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 4.5760 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 3.6520 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 3.2250 3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 0.3620 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -0.5570 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0910 1.1800 6.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 -0.0780 4.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5090 1.4480 3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2760 2.7800 4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 1.5130 6.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7110 0.1500 5.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0690 1.5640 3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8490 2.9720 4.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 0.5350 -3.2680 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7320 1.0830 3.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5730 1.3480 2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0420 1.4420 5.5530 N 0 3 0 0 0 0 0 0 0 0 0 0 11.9160 1.8360 5.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1400 0.4180 5.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9580 1.7450 6.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 1.7760 5.7230 O 0 5 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 44 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 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 2 0 0 0 0 15 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 17 44 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 44 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 43 -1 M CHG 1 46 1 M CHG 1 50 -1 M END