PUBCHEM-ZINC01721813 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.3070 1.5560 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 0.1050 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -0.2250 0.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -0.7440 0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -2.1290 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -2.7210 -0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 -2.2270 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -4.1070 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -4.8780 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -4.1610 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 -4.8210 0.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -2.7780 0.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -6.2330 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -6.8150 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -6.0440 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -4.6860 -0.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 -8.3150 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 -8.8910 -1.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -10.3510 -1.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -11.1380 -1.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -10.9770 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -12.3740 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -13.0120 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -12.2760 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -10.8870 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -10.2570 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -12.9460 1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -14.2130 1.4430 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5550 2.1880 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 1.8110 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 1.7420 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -0.2950 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -6.4920 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -8.6670 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -8.6720 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -8.6210 -2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -8.4350 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -11.7120 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 -11.8190 -1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 -10.4990 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -13.0140 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -14.0960 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 -10.2770 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -9.1750 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 -12.1800 2.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 12 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 16 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 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 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 2 0 0 0 0 M CHG 1 28 -1 M END