PUBCHEM-ZINC03626240 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -1.3780 1.1440 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 0.6400 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 1.7370 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 1.9720 -0.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 2.8150 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 2.9400 1.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 3.8310 1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 0.3020 1.4990 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0970 -0.7330 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 0.3730 2.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 1.4540 3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 1.5200 4.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 0.4970 5.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -0.5830 5.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -0.6400 3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -1.7920 3.1980 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6850 -2.6350 3.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 -1.8960 1.9860 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3220 0.7930 7.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 2.2000 7.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 2.4580 5.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 0.8260 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 0.0570 1.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 2.1500 0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0580 2.6530 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 4.0130 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7050 5.0330 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7780 4.4000 2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9540 2.8930 1.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 0.1770 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 1.9210 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 1.3540 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -0.2450 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 0.3880 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 1.4230 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 2.7100 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 3.8520 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 2.5260 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 3.2940 2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 4.2220 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5860 4.6560 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 2.2460 2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -1.3780 5.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 2.7860 7.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 2.4160 7.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 2.7700 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 1.9390 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 4.3000 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 3.9600 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 5.9900 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7060 5.1570 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 4.5760 2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6360 4.7840 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9950 2.6710 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 2.2880 2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 1.1180 0.8300 N 0 0 0 0 0 0 0 0 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 1 56 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 2 56 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 56 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 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 46 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END