PUBCHEM-ZINC03196276 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 74 0 0 1 0 0 0 0 0999 V2000 -0.8710 1.1450 -2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -0.2850 -1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -2.2550 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -2.7060 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 -2.0740 0.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -0.6080 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -0.1110 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 -2.6980 0.9500 P 0 0 3 0 0 0 0 0 0 0 0 0 -7.2310 -2.4880 -0.1950 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4810 -4.4810 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 -5.5490 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3470 -6.7220 0.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 -6.3930 2.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 -5.0440 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8430 -4.5200 3.4730 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -3.2590 3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6280 -2.2290 2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -1.0490 3.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1810 -0.1100 2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2750 0.8380 4.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2020 1.8430 4.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0820 2.5730 5.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0460 2.2950 6.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 1.2860 6.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2360 0.5580 4.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -0.7250 5.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9280 0.7550 1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5190 -0.8680 2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8590 -7.4410 3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 -7.7540 3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -8.7800 4.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -9.5910 4.9830 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9940 -5.5630 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 1.4230 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 1.2640 -3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 1.8540 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -0.9470 -2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -0.4010 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -2.5450 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -2.6830 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 -2.5160 -1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -3.7890 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -0.2190 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -0.1650 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 0.9720 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -0.3680 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -2.9490 4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0060 2.0610 3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7970 3.3590 5.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9650 2.8690 7.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 1.0890 6.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -1.3220 4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 -1.2380 6.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 0.2130 5.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8090 0.1670 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7600 1.4460 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0270 1.3690 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7690 -1.2970 3.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3470 -0.2070 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5190 -1.6980 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 -7.1180 3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 -8.3260 2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 -8.0980 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -6.8490 3.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 -6.4440 -1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0830 -5.5930 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -4.6860 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -0.7480 -1.4460 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8580 -0.4840 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 -0.4760 4.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 2 68 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 68 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 8 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 7 68 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 70 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 19 28 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 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 70 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 70 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 32 3 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END