PUBCHEM-ZINC05133409 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 1 0 0 0 0 0999 V2000 -0.0530 1.4680 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -0.0450 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -0.5350 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -1.6830 0.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 0.5430 0.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 1.7630 0.1040 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9350 1.8650 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 2.9890 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 2.8540 2.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 4.2310 0.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 4.4800 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 6.2170 -1.2130 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 6.5750 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 5.4610 1.1350 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7290 5.3020 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 5.9200 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 5.2140 0.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 2.0030 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.7440 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -0.4720 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.3170 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 0.4720 1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 4.2800 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 3.8390 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 7.5860 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 6.5250 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 6.9620 1.7900 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 M CHG 1 27 -1 M END