PUBCHEM-ZINC06417115 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 -5.7210 0.6350 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1170 1.5210 -3.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2160 2.3860 -4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 2.4220 -3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 1.5610 -2.7080 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2660 0.8100 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 2.4350 -1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 2.4960 -2.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 0.8960 -3.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -0.2540 -3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.6930 -2.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -0.9180 -4.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -0.3490 -6.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -0.3850 -6.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -1.7540 -6.6010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -2.1930 -5.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -2.2280 -4.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -1.8640 -7.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -3.0820 -7.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 -3.1860 -8.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 -2.0800 -8.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 -0.8650 -8.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -0.7550 -7.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 -2.1950 -9.4060 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2750 -3.2640 -9.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 -1.2210 -9.9660 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.4870 -0.0070 -3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9380 0.0180 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 1.2620 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 0.8930 -4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6630 3.0140 -3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7860 3.0170 -5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9820 1.7440 -4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 3.1140 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 2.9850 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 1.2840 -4.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -0.9390 -6.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 0.6820 -6.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.0700 -7.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 0.2870 -6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -3.1890 -5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -1.4950 -4.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -2.4390 -3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -3.0020 -4.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -3.9470 -6.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -4.1330 -8.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 -0.0030 -9.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 0.1920 -7.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 3.1450 -0.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 3.6910 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 49 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END