CHEMBRIDGE-ZINC04954544 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 0.0870 1.3480 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -0.0440 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.7550 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -0.0860 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 1.3070 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.0410 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 3.5590 -0.0580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1270 3.9050 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 4.1560 -1.4620 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3460 3.8340 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 3.6620 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 4.2670 -3.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 5.7900 -3.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 6.2950 -2.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 5.7040 -1.4020 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3940 6.1990 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 5.6050 0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 6.1430 -0.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.2130 0.3800 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3060 -2.7660 0.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -2.8050 -0.0920 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7730 1.8840 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -0.5500 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 -0.6260 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 1.8010 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 2.5710 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 3.9140 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 3.8820 -4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 3.9440 -4.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 6.1750 -4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 6.1840 -3.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 6.0380 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 7.3900 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 5.9400 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 7.2920 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 5.8710 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 5.9180 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 7.0800 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 4.1210 0.8970 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9350 3.7320 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 3.7780 0.6430 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 39 41 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 39 1 M END