PUBCHEM-ZINC03074980 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -1.1090 0.8080 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -0.6820 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -1.0140 0.9620 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5380 -0.5070 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -2.5580 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -3.2070 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 -0.6330 -0.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 0.5970 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 1.5680 -0.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 0.6140 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8040 0.9520 -2.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 1.0060 -4.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 0.0380 -4.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5740 0.0620 -5.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 1.0650 -6.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 2.0430 -6.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7920 2.0100 -5.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 1.0900 -8.2090 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2480 0.1580 -8.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1720 2.0430 -8.9140 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5810 0.2120 -3.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 0.0440 -2.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 0.2920 -1.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -0.4900 -4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -1.4140 -3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -1.9460 -4.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -1.5490 -6.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -0.6140 -6.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -0.0790 -5.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 0.9670 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 1.3300 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 1.2660 2.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -1.0920 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -1.1630 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -1.4040 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 1.2090 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 -0.7440 -3.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 -0.7000 -6.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 2.8310 -7.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 2.7700 -4.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 0.0310 -4.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -1.7270 -2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -2.6710 -4.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.9620 -6.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.2970 -7.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 0.6700 -5.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -2.9710 2.3030 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 2 0 0 0 0 5 47 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 47 -1 M END