PUBCHEM-ZINC06251339 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 -0.0310 1.8270 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 0.4420 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.4250 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 0.1170 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 1.5000 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 2.3670 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 3.8580 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 4.3240 1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 5.7850 1.6750 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1960 6.0770 3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 7.5390 3.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 8.4580 2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 8.1750 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 6.7020 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 5.9830 1.4020 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7690 -1.8300 -0.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -2.5890 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -2.1660 -0.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -4.0750 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -4.9630 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -6.4370 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -7.4310 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -6.9440 -1.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 2.4780 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 0.0700 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -0.5290 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 1.8950 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 4.1240 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 4.3590 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 4.1990 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 3.7520 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 5.7870 3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 5.4270 3.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 7.7040 4.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 7.7910 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 8.3110 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 9.5050 2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 8.7900 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 8.4670 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 6.5130 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 6.4040 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -2.3400 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -4.2590 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -4.3180 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 -4.7690 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -4.7080 -1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -6.6210 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -6.6830 0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -8.6420 -1.0900 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 M CHG 1 9 1 M CHG 1 15 -1 M CHG 1 49 -1 M END