PUBCHEM-ZINC05140967 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.0010 1.3440 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0970 0.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -0.7650 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -0.0920 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.7580 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -2.0960 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 -2.7650 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -2.1030 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -2.8210 -0.2420 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0750 -2.2480 -0.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -3.9840 0.1070 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7790 -0.1020 0.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 -0.8510 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1890 0.0480 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 1.0880 -0.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 1.6850 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 1.8690 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 1.5500 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -0.5880 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 0.9490 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 -2.6160 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -3.8070 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9340 -1.2200 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 -1.6940 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0960 -0.5440 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1720 0.4880 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9140 1.6980 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END