PUBCHEM-ZINC05410157 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 0.0420 1.4690 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -0.0400 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -0.5620 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 0.2920 0.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 1.9100 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 4.0190 -0.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5930 3.3900 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 5.4130 0.5730 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0920 6.0030 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 6.1010 0.5620 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8270 5.5490 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 6.1730 -0.8830 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9780 6.7930 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 4.8630 -1.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 4.1760 -1.5020 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7440 4.7210 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.8960 -2.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0410 6.7730 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5080 6.7570 -2.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 5.8600 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 7.4060 1.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 7.2440 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 5.2500 1.8210 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6690 1.9930 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 1.7550 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -0.3250 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -0.5660 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.4670 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 1.6550 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 3.0750 -2.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0570 7.8060 -0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 6.1790 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -1.7970 0.1240 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5490 3.3850 0.0390 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8740 3.8730 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 3.6970 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 M CHG 1 23 -1 M CHG 1 33 -1 M CHG 1 34 1 M END