PUBCHEM-ZINC04561229 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 0 0 0 0 0 0999 V2000 0.4040 0.4750 3.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -1.0110 2.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -1.8470 4.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -1.2940 2.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 -2.0500 1.1120 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -3.3180 1.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -2.4040 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -2.0420 1.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 -2.3140 1.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 -1.9310 2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 -1.1950 3.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 -0.8180 4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8820 -1.1730 4.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3470 -1.9060 3.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4800 -2.2810 2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9800 -3.0610 1.5810 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.5580 -2.8290 0.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8120 -3.9340 1.7490 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6660 -3.2180 -0.4540 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -1.1110 -0.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -0.7860 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -1.3640 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 0.7350 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.6830 3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 1.0700 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 0.7320 4.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 -1.2600 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -1.5990 5.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -2.9060 3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -1.6320 4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -1.5360 2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5940 -2.7690 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 -0.9180 3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 -0.2460 5.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5630 -0.8770 5.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3900 -2.1810 3.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -1.2090 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -0.9410 -2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -1.1160 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -2.4480 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 1.1640 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 1.1400 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 0.9830 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 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 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 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 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END