PUBCHEM-ZINC05389550 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 64 0 0 1 0 0 0 0 0999 V2000 -0.4350 0.9820 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -0.5380 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -0.9170 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -0.5550 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -1.2100 2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -0.8390 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -1.0840 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -0.6560 -1.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 0.5900 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -1.8030 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -1.0580 3.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -0.4010 4.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.6990 5.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 0.8910 6.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 1.8780 7.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 1.8030 8.7920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 0.7730 9.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -0.2180 8.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -0.0980 7.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -0.8810 6.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -2.0060 6.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0980 -1.7950 5.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -2.3320 7.3140 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3900 -1.4560 7.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -3.3920 8.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7310 -2.9180 8.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -4.0720 6.8760 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3850 -4.2070 7.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -3.1790 5.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -5.4170 6.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -5.9080 5.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -5.1250 4.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -4.2820 8.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -4.0900 8.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -2.9170 6.9630 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9460 2.9230 7.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2550 -1.2360 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 1.2750 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 1.2890 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 1.5800 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -1.9990 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -0.4350 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 0.5350 2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -2.3020 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -0.9370 3.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6700 -1.5090 -1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6650 1.3370 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 0.9050 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 0.6400 1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 -1.7540 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 -1.5600 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -2.8440 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -1.9560 3.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 0.7400 10.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -5.3290 6.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -6.1630 7.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 2.9940 6.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 3.5890 7.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -0.9600 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -2.3280 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -0.9620 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 46 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 9 49 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 53 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 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 33 34 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 37 59 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 M CHG 1 35 -1 M END