SIAL-ZINC04577540 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 70 0 0 0 0 0 0 0 0999 V2000 0.0400 0.7530 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -0.7560 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -1.2220 -0.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -2.5090 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 -2.7300 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 -2.8800 -1.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 -2.7110 -2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0970 -2.4530 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3750 -0.4810 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0950 1.0190 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5160 1.4890 0.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 2.7780 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 2.9750 1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 3.0340 0.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 2.8910 1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 2.7030 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 1.6320 2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 2.5630 2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 2.9360 1.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 2.9820 3.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3820 3.8880 2.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 4.2010 4.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 3.7180 5.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5650 -1.4330 -2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6910 -2.3420 -2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7990 -2.6720 -1.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5770 -2.7870 -3.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6710 -3.6700 -3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5110 -4.0210 -4.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2260 -3.5790 -5.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 0.9600 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 1.1200 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -1.2630 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -0.9670 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -3.2790 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 -2.5620 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -1.8720 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -3.6300 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -1.8640 -2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -3.6140 -2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7840 -3.2730 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9340 -2.3830 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0240 -0.8440 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4470 -0.6580 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4030 1.1970 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0280 1.5500 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 2.8500 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 3.5480 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1600 3.9050 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 2.1400 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 3.7850 2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 2.0220 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 2.6940 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 3.5230 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 0.6730 3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 2.0660 3.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 2.6840 4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 3.4120 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 4.8110 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0040 -1.9020 -3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9750 -0.4840 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4900 -2.5230 -4.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2580 -4.5820 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2880 -3.1630 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6730 -1.1940 -1.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 1.4290 1.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 5.0180 3.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5770 -4.8250 -4.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0860 -5.0220 -4.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8380 5.1890 4.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 66 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 8 65 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 9 65 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 16 66 1 0 0 0 0 17 18 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 17 66 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 2 0 0 0 0 22 67 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 24 65 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 2 0 0 0 0 29 68 1 0 0 0 0 67 70 1 0 0 0 0 68 69 1 0 0 0 0 M END