CHEMBRIDGE-ZINC00183858 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.5040 1.5440 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 0.0180 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -0.4780 1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -1.8250 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -2.3730 1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -3.7410 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -4.5690 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -4.0200 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -2.6510 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 -5.9560 1.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -6.7810 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -6.3220 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -8.2420 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -9.0960 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -10.4720 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -10.9870 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -10.1360 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -8.7710 2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -10.6880 3.6000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9650 -11.8920 3.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -9.9400 4.3830 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7370 -11.3840 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -10.9350 -1.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -12.7150 -0.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -13.5510 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 1.8380 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 1.9220 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 1.9590 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -0.2760 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -0.3980 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 -1.7290 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -4.1680 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -4.6630 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -2.2230 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -6.3250 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -8.6920 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -12.0540 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -8.1110 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 -14.5970 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -13.2830 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 -13.4000 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 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 22 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 19 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 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END