CHEMBRIDGE-ZINC04811254 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -0.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 0.0100 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4170 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 2.1400 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 1.4240 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -0.0320 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 -0.6540 -1.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 -0.6550 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 2.0930 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1490 3.2960 -0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1890 1.3720 -0.6150 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 2.0030 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6160 3.2760 -0.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8610 3.7070 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7640 2.7540 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9160 1.2140 -0.9440 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2240 2.9550 -0.9720 N 0 3 0 0 0 0 0 0 0 0 0 0 12.6980 4.0730 -0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9520 2.0030 -1.1900 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5520 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -1.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 3.1740 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6160 3.2120 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 0.4130 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1270 4.7480 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END