NIH-ZINC04057244 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 -0.1850 1.5010 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 0.0640 -0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.5890 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -1.9530 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -2.1160 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -0.8420 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -0.6510 -2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 -1.7830 -3.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -3.0620 -2.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -3.2420 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -3.0860 1.7030 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5280 -3.9230 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -3.5320 1.8380 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0150 -3.4210 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -2.7000 2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -2.6000 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 -1.8370 3.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -1.1700 4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -1.2690 4.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -2.0310 3.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -2.1190 4.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -1.6830 5.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -2.6860 2.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -2.8920 3.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -5.0210 2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -5.5380 2.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 1.7830 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 1.7990 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 1.9760 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.0390 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 0.3430 -3.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -1.6620 -4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -3.9320 -3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -4.2470 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2220 -3.1340 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -1.7720 3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 -0.5800 5.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -0.7510 5.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -3.9590 2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -2.5640 4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5070 -2.3290 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -5.5780 1.8030 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 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 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 42 -1 M END