PUBCHEM-ZINC03870788 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 -0.1800 1.0950 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -0.1890 0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -0.4310 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -1.6010 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 -1.5270 0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 -0.3250 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 0.8530 -0.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 0.7260 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 1.6860 -0.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 3.0720 -0.7060 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2770 3.3130 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 3.3730 -2.1660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0840 2.7270 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 4.7980 -1.9980 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4970 5.0770 -2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 4.7270 -0.6170 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3600 4.1580 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 3.9140 0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 6.0780 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 5.9520 1.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 6.1830 0.7950 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 7.6300 0.3780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 5.8930 2.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 6.5780 3.0590 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 7.9230 3.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 5.5400 4.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1260 5.2970 5.5030 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.5780 6.6720 5.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 5.7200 -2.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 5.1610 -2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 3.4250 -2.9840 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6300 -0.2990 -0.4130 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -2.8140 0.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 1.6500 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 6.4720 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 6.8050 -0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -2.8560 0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -3.6190 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 5.0680 -0.1540 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.2200 6.4790 2.1860 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.2430 4.4420 4.9100 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.3160 4.5440 6.5610 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 9 1 0 0 0 0 1 34 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 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 29 30 1 0 0 0 0 33 37 1 0 0 0 0 33 38 1 0 0 0 0 M CHG 1 31 -1 M CHG 1 39 -1 M CHG 1 40 -1 M CHG 1 41 -1 M CHG 1 42 -1 M END