CHEMBRIDGE-ZINC04150992 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2220 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.0410 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 1.4200 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1890 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7160 1.6040 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 3.4070 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2470 -2.0530 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -2.7190 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -4.1200 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -4.8280 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -5.1920 1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 -6.1260 1.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -4.8410 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -6.2300 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -6.9400 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -6.2690 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4260 -4.8860 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -4.1700 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -4.1730 0.0280 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7650 -4.8040 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -2.9550 0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -0.4780 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -5.7380 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -4.1870 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -5.6400 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -4.2920 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -6.4010 2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -6.7540 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -8.0190 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 -6.8260 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -3.0910 0.0190 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 22 1 M CHG 1 24 -1 M END