PUBCHEM-ZINC06485188 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 1.9830 2.1500 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 0.4740 -1.5730 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 0.5150 -2.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 -0.1170 -0.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 -0.2720 -2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -1.7970 -2.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4020 -2.1690 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -2.3430 -3.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -3.2220 -2.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -3.7260 -3.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 -3.3600 -5.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -2.4920 -5.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -1.9870 -4.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -2.4930 -2.1640 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -3.9370 -2.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2520 -2.0590 -0.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 2.5880 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 2.1510 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 2.7040 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 0.0400 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 0.1760 -2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -3.5240 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 -4.4060 -3.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -3.7530 -6.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -2.2090 -6.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -1.3230 -4.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -1.8680 -3.3390 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