PUBCHEM-ZINC06485186 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0020 2.1410 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 0.4580 -2.9280 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -0.1030 -2.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 0.4730 -4.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -0.3020 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.8270 -1.7650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0600 -2.1780 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -2.3920 -2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -3.2440 -3.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -3.7630 -4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -3.4390 -5.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 -2.5980 -4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -2.0770 -3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -2.5360 -0.2460 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -2.0830 0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -3.9800 -0.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 2.1620 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 2.5590 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 2.7020 -3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 0.1240 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 0.0240 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -3.5120 -3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -4.4210 -5.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -3.8450 -6.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -2.3490 -4.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -1.4330 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -1.9360 -0.1210 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 M CHG 1 27 -1 M END