CHEMBRIDGE-ZINC03912720 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 29 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 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 1.2040 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 1.4310 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 2.0970 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 1.9590 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 1.1470 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -0.5180 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 1.6370 -0.0480 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 0.0560 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 -0.0500 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0600 -1.3220 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2580 -2.3850 -0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 -2.2430 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 -1.0570 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4370 -1.4800 -0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3490 1.1600 -0.0800 N 0 3 0 0 0 0 0 0 0 0 0 0 9.7100 1.6530 0.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6900 1.6620 -1.1360 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7560 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 3.1770 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 -3.1260 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0150 -0.7010 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8230 -2.3700 -0.1110 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END