PUBCHEM-ZINC05689159 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 4.1260 3.4410 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 2.4610 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 3.5530 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 4.0010 1.1440 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0720 3.2950 0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 5.4280 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 5.2530 -0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 5.5640 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 6.9660 -0.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 7.4200 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 7.2110 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 3.9140 2.5750 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 4.1120 3.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 4.4390 2.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 3.9510 4.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 5.2540 5.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 5.6100 5.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4890 6.8130 5.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 7.6810 6.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 7.3490 6.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 6.1450 5.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 2.7180 4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 2.2980 6.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 1.1870 6.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 0.4730 5.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 0.8730 4.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7310 1.9880 4.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 3.4770 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 2.5100 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 4.2840 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 1.4790 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 2.4730 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 2.5710 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 4.2470 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 2.5630 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 6.1690 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 5.5730 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 4.1770 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 5.7800 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 5.2750 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 5.0060 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 8.4870 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 6.9020 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 7.7640 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 7.4940 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 3.6820 3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 3.7820 4.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 4.9500 4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 7.0710 5.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 8.6150 6.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 8.0270 6.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 5.9090 5.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 2.8440 7.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 0.8810 7.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -0.3920 6.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 0.3180 3.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 2.2700 3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 3.5560 -0.4380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 5.7440 0.3750 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4620 5.2240 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 58 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 58 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 58 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 6 59 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 59 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 11 59 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 47 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 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 2 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 59 1 M END