IFLAB-ZINC04061813 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.5640 2.1730 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 0.6840 -0.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3320 0.5480 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 0.1420 -1.3890 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7690 -0.8930 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 0.2090 -2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -0.8010 -3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -0.5030 -4.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 0.7480 -4.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 1.6330 -3.6090 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 0.9780 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 1.8800 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 1.4070 -1.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 1.3690 -3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 0.4620 -2.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -0.0420 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -0.1260 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 0.6170 2.5470 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 -0.7930 1.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -0.7900 2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -0.9260 3.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -0.9230 4.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2760 -0.7840 4.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 -0.6480 3.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3390 -0.6440 2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0470 -0.5040 1.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4630 -0.3590 1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -1.0570 6.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 -1.0440 7.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 2.7190 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 2.3120 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 2.5480 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -1.7760 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -1.2300 -4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 1.1560 -5.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -0.0320 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 1.3680 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 2.9020 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 1.8570 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 2.3760 -3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 0.9770 -3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7930 0.4760 -3.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -0.5560 -2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -0.4630 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 -1.2760 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -1.0360 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7900 -0.7820 5.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0690 -0.5400 3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9040 -0.2570 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8770 -1.2390 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6880 0.5280 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6540 -1.8670 7.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 -1.1590 8.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 -0.0980 7.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 0.9530 -1.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 55 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 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 42 1 0 0 0 0 15 43 1 0 0 0 0 15 55 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END