CHEMBRIDGE-ZINC04948709 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 48 0 0 0 0 0 0 0 0999 V2000 -0.2230 1.0040 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -0.4730 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 -0.6580 0.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -2.1140 0.0310 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -3.2360 0.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4980 -1.9290 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -0.2140 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 0.1230 3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 0.1020 3.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 -2.3710 1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 -4.1020 2.0680 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 -4.8930 1.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 -4.1570 3.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -3.8670 3.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -4.1290 5.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3550 -4.6830 2.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4640 -6.0590 2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9160 -6.3740 2.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -2.2590 -1.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -2.4850 -1.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.4850 -3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 1.1810 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 1.3960 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 1.5740 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -1.0250 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -0.8670 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 -1.1320 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 -2.8590 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 0.1590 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 0.3390 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9190 -2.2720 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 -1.9780 2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -4.5100 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -2.8210 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -3.9190 5.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 -3.5040 5.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -5.1710 5.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 -6.6610 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 -6.2780 3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -6.1440 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0420 -7.4300 3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2830 -5.7620 3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -1.6970 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -3.4510 -1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -3.2610 -3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -1.5280 -3.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -2.6600 -3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 -1.6830 1.4210 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3770 0.4150 3.5390 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 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 4 19 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 7 48 1 0 0 0 0 8 9 2 0 0 0 0 8 49 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 48 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 M CHG 1 49 -1 M END