PUBCHEM-ZINC03737753 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 67 0 0 1 0 0 0 0 0999 V2000 2.6770 0.8360 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -0.5640 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -0.6800 -0.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 -1.8500 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -2.9890 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -4.1670 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -4.2090 -1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -3.0630 -2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 -1.8680 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -0.6370 -3.0500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1240 0.2750 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -0.4330 -4.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -0.1030 -5.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 0.0180 -6.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 0.3120 -7.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 0.3580 -7.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 0.1150 -6.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -0.1790 -5.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -0.2210 -5.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -0.4770 -4.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -0.6710 -3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 0.6540 -9.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 0.7180 -9.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 1.0600 -11.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 0.0460 -12.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 0.3630 -13.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 1.6950 -13.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 2.7120 -12.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 2.3970 -11.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 0.0690 -5.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 0.3260 -4.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -5.4530 -2.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -5.3680 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 1.0180 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 1.5870 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 0.9800 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 -1.2930 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -0.7130 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.9910 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -3.1130 -3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 0.5030 -8.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 0.1440 -7.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 -0.3650 -4.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 -0.2460 -9.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 1.4910 -9.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -0.9980 -11.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -0.4300 -14.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 1.9420 -14.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 3.7510 -13.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9670 3.2020 -10.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -0.8420 -6.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 0.9010 -6.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 0.2240 -5.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 1.3180 -4.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -5.6860 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -5.3310 -3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -6.3000 -2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -5.7210 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -6.1740 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -5.1330 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -0.6760 -3.6280 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2160 -0.5390 -2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -1.6260 -3.9810 H 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 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 61 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 61 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 M CHG 1 61 1 M END