IBS-ZINC05452399 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 -0.3780 3.1630 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 1.9560 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 0.8050 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 0.9090 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 2.1010 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 3.2490 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 1.8390 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 0.5040 0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.0400 0.8440 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -1.0000 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 2.8300 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 3.7560 1.1860 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7000 4.0230 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 5.0390 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4150 5.0350 0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6010 3.1780 2.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 2.3190 3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2760 1.7920 3.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7120 2.1090 3.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2100 2.8210 2.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4960 1.5320 4.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0800 0.7100 5.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8630 0.2430 6.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7420 0.4320 5.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 0.8930 5.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 0.5650 5.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 4.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 1.9090 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -0.1320 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 4.1950 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 -0.0960 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 2.2880 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 3.4030 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 3.4750 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 2.0790 3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4850 1.7390 4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 -0.1770 6.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 5.9390 0.2990 O 0 5 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 38 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 38 -1 M END