PUBCHEM-ZINC00168349 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.1830 1.1760 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -0.3090 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -0.7890 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.1480 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -3.0350 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -2.5500 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -1.1890 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -0.6620 -3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -4.4110 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -5.0990 1.1350 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -6.5010 1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -4.3420 2.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -4.8350 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -4.0730 1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 -3.8660 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 -4.4200 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 -5.1800 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 -5.3840 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -6.1950 -1.3620 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6090 -6.7860 -2.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -6.2700 -1.1140 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8270 1.5740 -1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.3650 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 1.6620 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.0990 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -2.5220 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -3.2360 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -0.4940 -3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 -1.3870 -3.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 0.2790 -3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -4.9640 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -3.6410 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3370 -3.2720 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 -4.2580 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 -5.6130 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END