PUBCHEM-ZINC01531041 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 0.0730 1.2730 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -0.1880 0.0280 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7680 -0.5540 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -1.3340 2.1470 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2500 -2.1630 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -1.8560 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -0.6830 0.0980 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9800 0.1020 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 -1.1730 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -2.0310 -1.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 -0.4650 3.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -0.8060 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 1.6330 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 1.5410 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 1.7280 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -1.1840 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 0.3460 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -2.7690 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -2.0150 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -0.9060 3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -0.4810 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -1.8910 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -0.5030 -2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -0.6560 -1.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -1.0020 -2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 2 1 M END