PUBCHEM-ZINC06484435 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 1.2060 1.6160 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 0.1980 -0.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -0.4530 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -1.8390 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -2.6270 1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -2.0410 3.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -0.6490 3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 0.1390 1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -2.9210 4.2150 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2840 -3.9550 4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 -2.9020 4.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 -3.8420 5.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 -5.2310 5.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 -6.0920 6.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 -5.5750 7.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -4.1960 7.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2440 -3.3320 6.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -2.7130 5.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -1.3070 5.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.3320 5.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 0.5160 6.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -3.0840 7.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -3.3900 7.6800 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2090 -3.7900 4.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -5.0890 5.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -5.2770 6.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 1.9400 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 1.9820 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 2.0530 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -2.3110 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -3.7050 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 -0.1500 3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 1.2110 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 -3.1760 3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4780 -1.8820 4.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0970 -5.6590 4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 -7.1680 6.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 -6.2470 8.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1550 -3.7940 8.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3560 -2.2600 6.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -1.1550 4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -1.1240 6.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -3.8770 7.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -2.2430 7.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -3.8210 5.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -3.5920 3.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -2.5490 5.5300 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4470 -3.0640 6.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 -1.5400 5.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 47 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 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 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 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 1 0 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 47 1 M END