CHEMBRIDGE-ZINC04369951 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 53 0 0 1 0 0 0 0 0999 V2000 -0.0240 1.5010 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -0.0280 -0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7290 -0.5700 1.2490 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0970 0.2210 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -1.4600 0.6950 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5480 -2.5040 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -1.9060 -1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -2.7080 -2.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -2.0390 -1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 -1.3080 1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -2.2570 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 -2.1170 3.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3970 -1.0270 3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 -0.0780 2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -0.2200 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -1.4310 1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -2.0560 2.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -1.3930 1.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -0.6340 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2700 -0.4590 -0.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -2.0920 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -3.4800 1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7650 -4.1660 1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 -3.4720 2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -2.0890 2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -1.3980 1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1050 -1.3500 2.6880 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.1120 -1.9590 3.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -0.1320 2.7120 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9940 1.8880 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.8280 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 1.8760 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -1.7650 -2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -2.4080 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -3.7520 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -2.6300 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -2.7620 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 -1.6390 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -3.1090 2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 -2.8590 3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -0.9180 3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 0.7740 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 0.5200 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -4.0230 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 -5.2460 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7930 -4.0100 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -0.3180 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -0.9460 -0.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -0.6040 -1.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 48 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END