CHEMBRIDGE-ZINC03878390 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 1 0 0 0 0 0999 V2000 -0.0220 -0.1270 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -1.5880 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -1.9260 0.5660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1750 -1.6920 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -3.4170 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -3.7480 2.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -1.1390 1.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -0.8670 1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 -1.2750 0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -0.0740 2.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 0.2940 3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 1.0350 4.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2380 1.4180 4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0260 1.0620 3.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4870 0.3200 2.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 -0.0350 1.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4470 1.4750 3.7130 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.9490 2.0320 4.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1150 1.2580 2.7180 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0720 1.4240 6.0400 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9020 1.0890 6.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 2.0790 6.9460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0360 0.1140 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 0.0230 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 0.5220 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -2.2360 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -1.7380 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -3.6410 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 -4.0020 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -4.6790 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -0.8130 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -0.0010 3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6600 1.9980 5.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2190 -0.2310 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8890 -0.0860 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 20 1 M CHG 1 22 -1 M END