PUBCHEM-ZINC06535742 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 0.4290 1.1930 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -0.1970 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 -0.8920 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -0.2150 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 1.1780 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 1.8980 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 3.4110 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 4.0210 1.4740 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9950 3.7110 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 5.5830 1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 6.1570 2.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 3.6160 2.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 2.9480 3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 2.5130 3.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 1.7220 5.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 1.4180 5.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 1.8100 5.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6630 2.5540 4.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 2.9240 3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 3.6830 2.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 1.2160 5.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 0.3090 6.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -0.3100 7.5980 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 0.9180 8.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -2.2530 -0.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -2.5770 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 1.7280 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.7330 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 -0.7470 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 1.6930 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 3.8010 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 3.7390 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 2.6920 3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 0.8180 6.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6340 2.8550 3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 3.8300 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 0.6970 4.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 2.0680 6.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 6.1030 0.2550 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4140 -1.2440 8.6220 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8500 -1.0060 6.5070 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 39 -1 M CHG 1 40 -1 M CHG 1 41 -1 M END