PUBCHEM-ZINC05822219 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 1.7640 1.8600 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 0.3460 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -0.3490 1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -1.8620 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -2.5580 2.7830 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7650 -2.2560 3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -2.2490 3.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -1.1560 4.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -3.4290 3.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -4.4870 3.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -4.0630 2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -4.7470 1.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 -5.8260 3.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -6.6040 2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -7.9260 2.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -8.4740 3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -7.7020 4.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -6.3820 4.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -9.8910 3.7520 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9760 -10.5720 2.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -10.3750 4.8460 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0710 -3.5750 4.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -2.9700 6.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -3.1160 6.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -3.8620 6.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -4.4650 5.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 -4.3190 4.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 2.0940 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 2.3550 -0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 2.2080 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 0.1120 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -0.0020 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 -0.1150 2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 0.0000 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -2.0960 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -2.2110 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -6.1760 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -8.5310 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -8.1340 5.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -5.7810 5.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -2.3880 6.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -2.6460 7.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 -3.9750 6.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 -5.0480 4.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -4.7870 3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 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 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END