CHEMBRIDGE-ZINC04954525 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1840 3.9410 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 4.1140 -1.4110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5900 3.7530 -2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 3.6120 -1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 4.1510 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0010 5.6810 -3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 6.1860 -2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 5.6450 -1.3880 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4550 6.1420 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 5.5580 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 6.1030 -0.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7540 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 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 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 3.9580 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 2.5220 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 3.7890 -3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 3.8080 -3.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 6.0230 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 6.0660 -4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 7.2760 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 5.8440 -3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 5.8190 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 7.2300 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 5.8950 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 5.8960 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 7.0660 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 4.0920 0.8920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 3.6850 1.8120 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 19 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 39 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END