CHEMBRIDGE-ZINC00457221 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -1.4950 1.0530 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -0.0260 0.1570 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9440 -0.9490 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 0.4390 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 1.7080 -0.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 2.2340 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -0.2620 1.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -1.1200 2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -1.6980 2.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -1.3590 3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -1.7710 3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 -1.9930 4.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -1.8050 5.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -1.3960 5.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -1.1680 4.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -0.7260 4.8960 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8360 -0.6800 5.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -0.4090 3.8950 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9060 -2.0230 6.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.8120 8.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0560 -2.3940 4.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 -2.5670 3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 1.9770 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 1.2300 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 0.7220 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -0.2890 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 0.5300 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 2.3620 -2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 3.1980 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 1.5440 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 0.1980 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -1.9160 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -1.2530 6.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -0.7770 8.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -2.4770 8.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 -2.0210 9.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6270 -2.8880 3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 -3.3230 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -1.6220 2.6230 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 4 1 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 6 28 1 0 0 0 0 6 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 21 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END