CHEMBRIDGE-ZINC02836506 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 1.0040 1.6150 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 0.1970 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -0.4590 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 0.1480 -2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -0.6480 -3.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 -2.0470 -3.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -2.6560 -2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -1.8570 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -2.4580 0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -3.8390 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -4.3510 1.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -4.6710 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -4.1010 -2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -6.1630 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -6.8480 -1.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -6.7110 0.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -8.1380 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -8.7090 0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -10.2190 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -12.1880 1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 -12.6980 2.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 -12.6900 0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -11.3680 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 -10.7770 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.0050 -4.8780 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4310 1.2320 -4.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -0.7340 -5.8650 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8680 1.9470 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 2.0520 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 1.9700 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 1.2280 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -2.6570 -4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -4.6950 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -6.0760 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -8.6210 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 -8.3070 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -8.2280 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -8.4590 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -10.7410 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -10.4580 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -12.1360 2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -12.8080 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 -13.7300 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 -12.0970 2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9440 -11.4300 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 -10.7380 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -11.3820 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0680 -9.7460 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 -10.7760 1.2670 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5300 -10.1780 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 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 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 49 1 M END