IBS-ZINC05451976 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.3470 1.0020 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -0.4860 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -0.9850 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 -1.0560 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -1.5640 -2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -1.6180 -3.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -1.9680 -2.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -1.8860 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9990 -2.3090 -1.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 -1.2530 0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -0.6750 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 0.1050 0.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -1.1350 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 0.1470 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 0.3190 2.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -0.7880 3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3970 -2.0670 3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 -2.2630 1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -3.6810 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -1.3190 -2.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -1.6250 -2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -1.0590 -3.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -1.3180 -3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 -2.1580 -2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -2.7390 -1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -2.4770 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 -2.4320 -2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1450 -1.8790 -3.9540 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5640 1.6030 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 1.2160 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 1.3330 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -0.7030 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -1.0220 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5190 -2.3700 -2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8940 1.0320 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2810 1.3180 3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2760 -0.6580 4.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 -2.9230 3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 -4.0440 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 -4.3400 2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 -3.7750 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -1.3750 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -0.3940 -4.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -0.8560 -4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -3.4030 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -2.9680 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 -3.1920 -2.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 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 13 1 0 0 0 0 11 12 2 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 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 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 38 1 0 0 0 0 18 19 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 2 0 0 0 0 M CHG 1 28 -1 M END