PUBCHEM-ZINC05028186 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 0 0 0 0 0 0999 V2000 0.4400 2.3800 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 0.8730 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 0.1250 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -1.3910 -1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -2.1970 -2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -3.6840 -2.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -4.5550 -3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -4.3500 -4.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3560 -2.8610 -5.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -2.0190 -3.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -5.0320 -4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -5.4850 -3.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -5.0950 -6.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -5.6920 -6.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -4.7370 -6.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2290 -5.2910 -6.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 -6.1680 -5.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1850 -6.6730 -5.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7190 -6.2980 -7.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 -5.4420 -8.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7770 -4.9410 -7.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3230 -6.9660 -7.7470 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.2110 -6.9680 -9.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3300 -8.2930 -7.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4230 -5.9660 -7.1760 N 0 5 0 0 0 0 0 0 0 0 0 0 -9.2670 -5.0910 -7.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 2.7210 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 2.6780 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 2.8940 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 0.6130 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 0.5690 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 0.4060 -2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 0.4330 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -1.6330 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 -1.7030 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -1.8420 -2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -3.8100 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 -4.0370 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -4.3160 -3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -5.6090 -3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -4.8460 -5.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -2.4870 -5.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -2.7050 -5.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -2.2890 -3.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -0.9700 -4.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -4.7200 -6.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 -5.9650 -7.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -6.6160 -5.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -4.5050 -4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 -3.7740 -6.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5330 -6.4590 -4.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7310 -7.3490 -5.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4360 -5.1620 -9.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -4.2690 -8.3450 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 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 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 10 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 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 9 1 0 0 0 0 8 11 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 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 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 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 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 25 -1 M END