CHEMBRIDGE-ZINC02730725 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3850 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 1.2140 -0.6640 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.0070 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.3320 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 2.0610 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 2.1770 -0.0240 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 0.8220 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5220 1.3920 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6860 2.5930 -0.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5860 0.5660 -0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8690 1.0890 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1500 2.3460 -0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4500 2.7020 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0120 3.9970 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3730 4.1630 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2190 3.0640 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6940 1.7910 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3140 1.6030 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3440 0.1320 -0.0890 S 0 0 0 0 0 0 0 0 0 0 0 0 14.6870 3.2600 -0.1160 N 0 3 0 0 0 0 0 0 0 0 0 0 15.1510 4.3860 -0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4300 2.2950 -0.1280 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9520 1.9240 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.5620 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -1.7440 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 3.1410 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9930 0.2040 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 0.2140 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4550 -0.3950 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3650 4.8620 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7900 5.1600 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3540 0.9370 -0.1180 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END