PUBCHEM-ZINC04800550 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.4080 1.5560 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 0.0610 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -0.6020 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -1.9680 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -2.5980 -0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -2.5450 -0.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4370 -1.7600 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 -3.7620 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 -3.7460 1.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 -4.8390 2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -5.9670 2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -6.0030 1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -4.9100 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -2.8860 -1.6930 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 -3.3110 -1.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 -1.5940 -2.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 2.1070 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 1.8760 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 1.8250 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -0.1950 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -0.2480 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 -2.8820 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -4.8110 3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -6.8190 3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -6.8830 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -4.9680 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -3.9220 -2.2070 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 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 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