CHEMBRIDGE-ZINC02990114 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 0 0 0 0 0 0999 V2000 -0.5880 1.4380 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -0.0350 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.6890 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -2.0540 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -2.7470 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.0930 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -0.7410 -1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 -0.0500 -2.4130 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9340 -0.6910 -3.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 1.1590 -2.4190 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1860 0.0600 2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 1.2690 2.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -0.5970 3.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 0.1460 4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.8300 6.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 0.0900 7.5900 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -1.2150 8.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -0.6010 10.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -0.3950 11.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 0.1980 12.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 0.3180 11.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -0.1730 10.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 2.0070 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 1.6570 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.7160 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -2.5660 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -3.8030 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -2.6400 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -1.5610 3.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 0.8630 4.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 0.6770 5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -1.5460 6.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -1.3600 5.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -1.9220 8.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -1.7360 8.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -0.6350 10.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 0.4970 13.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 0.7350 12.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END