PUBCHEM-ZINC03871854 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 0.4920 1.7820 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 0.3320 0.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0790 0.3140 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -0.4150 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 0.1370 -2.6730 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 1.0740 -3.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 1.7470 -4.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -0.4020 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -1.1490 0.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -0.1730 2.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 0.5240 2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -0.0420 4.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -0.2510 4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -0.6640 3.6330 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0450 -1.7540 3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -0.0460 3.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 1.1360 3.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 1.8330 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 2.3870 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 2.2590 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -0.3840 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -1.4770 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 1.5940 2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 0.3600 2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 0.6200 4.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -1.0090 4.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 0.6850 5.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -1.0160 5.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -0.7920 4.4980 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 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 6 7 2 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 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 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 29 1 0 0 0 0 M CHG 1 29 -1 M END