CHEMBRIDGE-ZINC00179045 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3810 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 1.2130 -0.6680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0560 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.4470 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 2.1010 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 2.0420 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 3.3320 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 3.2200 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 1.9080 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 1.2080 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 -0.4420 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 4.3450 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 4.0890 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7620 5.1390 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3020 6.4440 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9430 6.7040 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 5.6620 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2680 7.5660 -0.0450 N 0 3 0 0 0 0 0 0 0 0 0 0 10.4640 7.3400 -0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8650 8.7160 -0.0350 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.5610 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -1.7470 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 3.1800 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 4.2510 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2260 3.0710 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8240 4.9420 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5900 7.7240 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 5.8660 -0.0230 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END