CHEMDIV-ZINC00419988 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 0.1110 1.5730 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 0.0540 0.0300 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0320 -0.2360 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -0.4800 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -1.1460 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 -1.6960 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 -2.3750 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 -2.5200 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -1.9680 -1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -1.2450 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -0.6450 -1.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -0.2640 -2.7550 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -1.2760 -3.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 0.0690 -2.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 1.2300 -3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 1.2180 -3.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 2.3950 -3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 3.5900 -3.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 3.5730 -3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 2.4010 -3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 4.8640 -4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2810 4.8070 -4.3270 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1220 1.9070 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 1.9780 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 2.0210 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 0.3090 1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -1.2270 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 -1.6180 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 -2.8150 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 -3.0780 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -2.1250 -2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 0.3120 -3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 2.3850 -3.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 4.4850 -3.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 2.4220 -3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 5.8920 -4.5080 O 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 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 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 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 2 0 0 0 0 M CHG 1 22 -1 M END