PUBCHEM-ZINC03931735 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 1 0 0 0 0 0999 V2000 -0.0080 1.4740 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -0.0540 -0.0410 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5170 -0.3480 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -0.5550 -0.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0910 -0.1600 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.0800 -0.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0540 -2.4890 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 -2.5730 1.2130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3210 -2.0770 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -1.9780 1.2260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6170 -0.5550 1.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -2.6340 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -2.6350 -0.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -3.1650 0.9950 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -2.9450 2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 -3.4160 3.5390 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.2550 2.4810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -3.9030 1.1840 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8610 -2.5380 -0.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -3.4210 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -0.1280 -1.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 -0.7220 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 1.8940 0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 1.2690 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 1.9490 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 1.8340 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 -3.6500 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -1.9710 3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 28 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 18 -1 M END