PUBCHEM-ZINC05635549 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 0.0620 -0.1750 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -1.4870 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -1.9670 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -1.0830 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 0.2360 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 0.6940 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 0.8410 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 -0.1270 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -1.2750 1.4020 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 -2.1430 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 2.2500 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 3.2230 1.5080 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8300 2.8280 2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 4.4650 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0840 5.3730 0.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 3.6060 2.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 3.0250 3.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 3.3520 3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 4.4520 2.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 4.9700 1.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 4.9100 3.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 5.4320 2.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2580 5.8910 3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 5.8370 4.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 5.3350 5.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 4.8750 5.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7610 6.4010 5.7350 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 0.1820 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -2.1480 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -2.9880 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 1.7210 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 -0.0900 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 2.2200 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 2.5990 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 2.7770 4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 2.1890 3.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 4.4270 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 5.4820 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 6.2900 2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 5.3060 6.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 4.5190 5.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 4.4180 0.8260 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M CHG 1 42 -1 M END