IFLAB-ZINC04569409 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 4.1050 1.7780 6.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 0.3690 6.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 -0.0050 5.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -1.5270 5.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 -2.1410 4.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -3.4820 4.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -4.1810 5.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -4.1080 4.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 -3.4080 4.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -5.4490 4.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -6.0620 4.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -7.5750 4.0600 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1120 -7.7890 3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -8.1850 5.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -9.5270 5.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -9.1370 4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -8.1950 3.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -7.8860 2.3380 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -8.0910 2.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 -6.6600 1.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -9.1320 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -10.3060 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -11.2840 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 -11.0880 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -9.9090 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -8.9310 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -12.0500 -1.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -11.7790 -2.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 1.9800 7.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0610 2.2750 6.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 2.1550 5.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7450 0.3350 4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1530 0.4550 5.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -1.8070 4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 -1.8760 6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 -1.5820 4.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 -6.0080 4.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -5.8550 5.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -5.6480 3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 -8.3620 5.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -7.5410 6.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -10.2990 4.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 -9.8460 6.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 -10.0180 4.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -8.6510 5.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -10.4580 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -12.2010 0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -9.7540 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -8.0120 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -12.6260 -3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -10.8840 -3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -11.6220 -1.8750 H 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 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 8 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 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 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 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 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 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END