PUBCHEM-ZINC06227398 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 68 0 0 1 0 0 0 0 0999 V2000 1.1520 1.1950 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -0.3130 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -0.6880 0.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -1.9950 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -2.7930 0.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -2.4370 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -3.7210 2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -4.1300 3.9770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.3850 4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -2.0690 4.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -1.4290 5.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -0.2610 5.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 -2.2370 6.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 -1.8200 8.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -0.4810 8.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 0.1220 9.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 1.4510 9.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 1.6730 7.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 0.5100 7.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 2.9700 7.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4010 3.0710 5.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 4.2950 5.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 5.4260 5.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 5.3370 7.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3150 4.1230 7.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 6.5530 7.8960 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8010 6.4810 8.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 7.7060 7.6950 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8190 6.7610 5.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 4.4060 3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -3.7980 6.5000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -1.5060 3.3310 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7700 -0.6520 3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 -0.9950 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 0.2610 2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 0.7300 1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 -0.0590 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 -1.3160 1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 -1.7820 2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3980 0.5290 0.6440 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -4.6880 1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 1.4530 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 1.4820 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 1.7260 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -0.5710 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -0.8430 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 -2.5420 8.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4390 -0.3860 10.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 2.1990 9.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0530 2.1910 5.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.0570 8.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 7.2890 5.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6740 7.3530 5.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 6.6080 4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 4.6030 3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 5.2240 3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 3.4730 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7940 0.8760 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8320 1.7110 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 -1.9320 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 -2.7610 3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -5.1200 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -5.4820 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -4.1610 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 45 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 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 7 41 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 30 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 37 38 2 0 0 0 0 37 40 1 0 0 0 0 38 39 1 0 0 0 0 38 60 1 0 0 0 0 39 61 1 0 0 0 0 41 62 1 0 0 0 0 41 63 1 0 0 0 0 41 64 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END