PUBCHEM-ZINC05962850 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.1300 1.4810 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -0.0380 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -0.5840 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -0.4680 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -0.0300 -1.2080 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2380 1.0640 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -0.3790 -2.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 0.5310 -3.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -0.0830 -4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8050 -1.4640 -4.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -2.0140 -3.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 0.6630 -5.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -0.0210 -6.6460 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8640 1.8850 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.9750 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 1.7560 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -0.4770 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -0.1750 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -1.6760 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -0.3260 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -1.5620 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -0.0750 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -2.1510 -5.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 1.9350 -5.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 -0.5780 -0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -0.1870 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 -0.2530 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 13 -1 M END