PUBCHEM-ZINC00754616 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 -4.7080 -4.5070 -3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -4.3990 -2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -5.0420 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -4.9450 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -4.2020 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -3.5580 -1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 -3.6620 -2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -2.9680 -4.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -4.1050 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -4.6670 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -6.0440 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -6.6160 2.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -5.8110 3.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -4.4320 3.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -3.8620 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -6.3900 5.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -5.6790 6.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -4.5760 5.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 -6.2420 7.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -6.0110 8.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -6.5470 9.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -7.3000 10.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -7.5270 9.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -7.0080 7.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -7.2610 7.1840 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4700 -7.9310 7.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 -6.8000 6.0610 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9540 -5.2040 7.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -4.7380 6.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 -3.6970 -2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4560 -4.4360 -4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -5.4650 -2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -5.6200 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -5.4480 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -2.9790 -2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -1.9620 -3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -2.9090 -4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 -3.5300 -4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -6.6700 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -7.6880 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -3.8060 4.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -2.7900 2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -7.3020 5.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -6.3730 10.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -7.7150 11.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -8.1170 9.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -4.9850 8.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7600 -4.4510 7.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END