PUBCHEM-ZINC05955796 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 -0.0930 1.0310 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.4590 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -0.7720 -1.5280 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -0.3330 -2.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -2.5940 -1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3450 -3.2410 -2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -4.7660 -2.5060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9930 -5.0290 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -5.2140 -3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -5.7770 -4.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -5.4490 -2.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -5.6560 -1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -5.3030 -0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 -6.4040 -1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 1.5090 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 1.5230 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 1.2140 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -0.9290 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -0.9190 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -2.8940 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -2.8600 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -2.9950 -3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 -2.7960 -2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -5.8000 -3.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -6.1600 -2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -7.4780 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6770 -6.1280 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -4.9770 -3.6110 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 19 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 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 M CHG 1 28 -1 M END