PUBCHEM-ZINC02046812 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 -0.2060 1.5510 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 1.8080 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 2.3400 -1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 2.5720 -2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 2.1880 -3.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 1.6760 -3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 1.5200 -2.6740 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9510 2.3750 -5.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 3.6580 -5.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 3.6740 -6.9550 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 2.8470 -8.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 3.2060 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1180 4.3520 -1.3330 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6870 4.0610 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 3.5970 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2480 5.8860 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 6.4630 -1.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 2.6140 -0.3360 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7100 0.8270 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 1.1380 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 2.4820 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 1.3920 -4.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 1.5730 -5.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 2.2980 -5.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4390 3.8930 -3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 2.4060 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0670 3.9140 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6680 3.7740 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4590 2.5180 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 1.1740 -2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 5.1440 -7.2890 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2670 3.0070 -6.3150 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6770 4.0040 -1.5820 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1600 3.5310 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 4.9500 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3790 6.3370 -0.8520 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 M CHG 1 7 1 M CHG 1 18 -1 M CHG 1 31 -1 M CHG 1 32 -1 M CHG 1 33 1 M CHG 1 36 -1 M END