PUBCHEM-ZINC05742515 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.6000 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 0.0700 -1.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.1040 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -2.5980 -2.6370 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -2.3180 -3.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -4.3580 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -5.0640 -3.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -6.4440 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -7.1190 -2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -6.4130 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 -5.0320 -1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 -4.2760 -1.1640 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4050 -4.8710 -0.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -3.0600 -1.2210 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4220 -8.5970 -2.3530 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5420 -9.2200 -2.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -9.1910 -1.7280 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -2.4910 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -2.5070 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -4.5370 -3.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -6.9960 -3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -6.9400 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 8 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 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 17 1 M CHG 1 19 -1 M END