PUBCHEM-ZINC04533004 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 -0.2840 2.0870 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 0.6530 0.3590 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9780 0.2120 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 0.7570 -0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 0.1180 -2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -0.3550 -3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -1.3610 -2.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.1960 1.4660 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7190 0.2060 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.0440 2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -1.3300 3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 -2.1140 2.7550 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2250 -1.6260 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -1.7630 1.2980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9540 -2.2430 0.3290 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6200 -1.4170 0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -3.3680 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -4.3310 1.7850 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1530 -4.5870 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -3.6050 3.0520 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3510 -3.5630 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -4.4470 3.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5810 -4.2300 3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -5.9720 3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -6.2280 3.4890 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6370 -5.6310 4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -5.7080 2.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2650 -5.6540 2.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 -7.0110 2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 -7.6840 3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -7.6540 3.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -6.6580 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -4.1440 5.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -3.2790 5.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -2.7720 -0.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -2.1940 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -2.3630 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 2.5810 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 2.6900 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 2.1020 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 1.8090 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 0.3560 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -0.7550 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 0.8330 -2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 0.8270 3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 0.0930 2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -1.1150 4.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -1.8560 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -3.9130 0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -2.9230 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -6.4830 4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -6.3810 2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 -5.3310 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -4.9090 3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 -7.6920 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9290 -6.8730 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -8.7210 3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 -7.1730 4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 -7.9850 4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -8.3640 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 -6.2550 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -7.6600 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -6.7850 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -2.0720 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -3.4550 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -2.0330 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 0.2960 -4.1740 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 67 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 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 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 M CHG 1 67 -1 M END