CHEMBRIDGE-ZINC04046635 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 0 0 0 0 0 0999 V2000 2.4750 0.7820 1.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 0.8870 4.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 1.4100 4.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 3.3160 3.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 2.7940 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 3.4210 5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 4.9190 5.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 5.4780 4.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 5.6380 5.9810 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 7.0170 6.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 7.7690 5.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 9.1360 5.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 9.7480 6.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 8.9960 7.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 7.6360 7.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 6.8350 8.3140 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6710 7.3880 9.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 5.6220 8.2100 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4310 9.8960 4.4150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 11.3130 4.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 12.0980 3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 11.9100 2.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 10.5420 2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 9.7410 3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -0.3070 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 1.1260 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 1.1240 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 1.2800 4.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -0.2020 4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 0.9960 4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 1.1080 5.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 4.4050 3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 2.9240 2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 3.0950 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 3.2080 3.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 2.9930 6.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 3.1700 4.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 5.2000 6.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 7.2910 4.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 10.8120 6.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 9.4740 8.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 11.7090 4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 11.4070 5.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 13.1580 4.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 11.7380 3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 10.4760 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 10.1360 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 8.6880 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 10.1120 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 1.3280 2.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0530 2.8760 4.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 50 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 51 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 51 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 6 51 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 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 19 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END