CHEMBRIDGE-ZINC04978638 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 0 0 0 0 0 0999 V2000 -0.2090 1.4390 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 0.0270 0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -0.6070 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 0.0370 -2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -0.6800 -3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.0620 -3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -2.7110 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -1.9910 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -4.1580 -2.2800 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2000 -4.7740 -3.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -4.6700 -1.4810 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4810 0.0300 -4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 1.4380 -4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9010 1.8540 -4.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 -0.3610 -3.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 -0.7880 -3.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2420 1.0340 -3.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1950 -0.0830 -4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8710 -0.2140 -5.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8090 -1.3080 -5.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9510 -1.0390 -6.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8510 -2.0600 -6.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6110 -3.3610 -6.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4710 -3.6440 -5.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5700 -2.6240 -5.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 1.9370 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 1.7460 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 1.7500 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 1.1080 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -2.6280 -4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 -0.5740 -5.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 0.9570 -4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 2.3080 -4.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 0.9730 -5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3280 2.5030 -5.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 2.3690 -3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2680 0.1240 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9070 -1.2340 -3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -1.3260 -4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -1.4220 -2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2960 1.3570 -2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 1.8970 -4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3570 -0.7920 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7580 0.5170 -6.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1570 -0.0310 -6.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7390 -1.8400 -7.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3110 -4.1550 -6.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2800 -4.6620 -5.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6800 -2.8790 -4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -2.5790 -0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 0.4210 -3.8020 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8150 0.8770 -2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8040 0.6370 -4.2730 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8450 0.1740 -5.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -3.5250 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 50 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 51 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 53 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 53 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 50 55 1 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M CHG 1 51 1 M CHG 1 53 1 M END