PUBCHEM-ZINC02928819 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 75 0 0 1 0 0 0 0 0999 V2000 0.9520 1.7370 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 0.2600 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.3490 1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -1.7300 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -2.5040 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -1.9230 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -0.5290 -1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -2.9700 -2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -4.1550 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -3.8680 -0.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -4.8150 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -6.2270 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -7.0430 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -5.5020 -2.1840 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9650 -6.0690 -2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -5.2780 -3.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -4.2640 -4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -2.8740 -3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -7.3360 -2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -8.0940 -1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1090 -7.4550 -1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -8.1580 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9900 -9.5130 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -10.1650 -0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -9.4530 -1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -11.4920 -0.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -12.1910 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 -10.2710 0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3010 -9.8140 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2360 -10.9200 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3880 -10.6220 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2770 -11.6350 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0300 -12.9530 1.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8960 -13.2610 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0070 -12.2490 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 1.9420 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 2.1380 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 2.2710 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 0.2550 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -2.1750 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.0700 -2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -4.4430 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -4.7930 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -6.2090 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -6.7600 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -7.9690 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -7.2930 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -6.2240 -4.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -4.9020 -3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 -4.6230 -4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -4.1960 -5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -2.3920 -4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -2.2490 -3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -8.0180 -2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -6.7760 -3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 -6.4040 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 -7.6180 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -9.9460 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -13.2210 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -12.2260 -1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -11.7560 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4170 -8.9550 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5660 -9.5270 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6060 -9.5990 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1640 -11.3930 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7230 -13.7400 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7030 -14.2870 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1280 -12.5050 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -6.3390 -1.4840 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7590 -5.6650 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 69 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 69 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 69 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 56 1 0 0 0 0 22 23 1 0 0 0 0 22 57 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 64 1 0 0 0 0 32 33 1 0 0 0 0 32 65 1 0 0 0 0 33 34 2 0 0 0 0 33 66 1 0 0 0 0 34 35 1 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 69 70 1 0 0 0 0 M CHG 1 69 1 M END