PUBCHEM-ZINC04566339 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.4000 1.3710 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -0.1370 -0.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3210 -0.5610 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -0.5260 1.1650 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5940 -0.2430 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -2.0590 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -2.3690 2.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -1.6770 3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -0.1610 3.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 0.1980 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -0.2860 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -1.8020 3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -1.0360 -2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -1.2700 -3.6850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7470 -2.2400 -3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 -1.2040 -4.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -2.3780 -5.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -2.3340 -6.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 -1.1050 -7.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 0.0740 -6.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 0.0190 -5.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -1.0510 -8.7650 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6200 -2.1060 -9.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 0.0470 -9.1400 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2900 -0.2810 -3.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 1.8240 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 1.6120 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.8600 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -2.5610 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -2.4840 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -3.4510 3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -1.9010 4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -2.0610 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 0.3470 4.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 0.1940 3.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 1.2850 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 0.2240 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -0.0300 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -2.2860 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -2.0210 4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -0.1500 -2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -1.9020 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -3.3430 -5.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -3.2610 -7.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 1.0390 -7.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 0.9470 -4.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -0.2190 -4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -0.7600 -1.2910 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0260 -0.1510 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -1.6320 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 48 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 47 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 48 1 M END