CHEMBRIDGE-ZINC02779482 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 0 0 0 0 0999 V2000 1.1780 0.8990 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 -0.6040 1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -1.2720 2.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.8340 0.6120 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7640 -1.9030 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -0.2830 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 0.5880 -0.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -0.7600 -1.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -0.1820 -3.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.1550 1.5720 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -0.7680 2.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -1.8850 2.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -0.0820 3.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 1.1830 4.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 1.8180 5.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 1.2020 5.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 -0.0520 5.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 -0.6950 4.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 -2.0340 3.6110 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1560 -2.6210 4.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -2.5500 2.7230 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.1860 1.8880 6.4740 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8880 2.9920 6.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2100 1.3490 6.8520 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2190 1.0640 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 1.3750 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 1.3280 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -1.0330 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -0.8420 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -2.3420 2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -1.1070 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -0.6560 -3.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -0.3460 -3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 0.8880 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 0.7360 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 1.6640 3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 2.7970 5.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5530 -0.5270 5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 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 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 22 1 M CHG 1 24 -1 M END