CHEMBRIDGE-ZINC04736782 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 0.0820 1.4930 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.0350 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -0.5360 0.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -1.8830 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -2.7060 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -4.0730 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -4.6330 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -3.8020 1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -2.4360 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -1.5550 2.1350 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3770 -2.0390 2.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -0.3470 2.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5760 -6.0980 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -6.5830 1.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -6.8970 0.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -8.2890 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -8.8800 1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -10.2530 2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -11.0430 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -10.4630 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -9.0860 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -8.4970 -1.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -8.9830 -1.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -8.1860 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 -8.2550 -3.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -7.9140 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -8.7220 -2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -8.6220 -4.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4570 -8.8170 -4.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -8.7890 -6.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 1.8020 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 1.8750 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 1.8900 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 -0.3440 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4320 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -2.2720 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -4.7120 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -4.2310 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -6.5090 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -8.2660 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -10.7120 2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -12.1160 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -11.0830 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 -10.0400 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -8.8520 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -8.6170 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 -7.1470 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -8.1640 -4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -6.8480 -3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -8.4010 -2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -9.7820 -2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -8.4800 -5.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -9.8360 -6.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -8.1730 -6.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END