CHEMBRIDGE-ZINC04947514 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 1 0 0 0 0 0999 V2000 -0.0710 1.5480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 0.0180 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0460 -0.3730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -0.4720 1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -2.0020 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -2.4670 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -1.9180 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -0.4510 -1.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 0.0850 -2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 0.9230 -3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 1.4740 -4.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 1.2180 -4.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 0.3680 -3.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -0.2400 -2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -0.9580 -2.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 -0.8430 -3.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -0.1140 -4.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 1.8360 -5.9610 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7730 2.5720 -6.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 1.6060 -6.3300 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2280 1.2570 -2.7720 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8500 2.0840 -3.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 0.7060 -1.8210 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9460 1.9390 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 1.8980 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 1.8970 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -0.0700 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -0.1370 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -2.3550 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -2.4050 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -2.0960 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -3.5560 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -2.2350 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -2.3000 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 2.1310 -4.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 21 1 M CHG 1 23 -1 M END