PUBCHEM-ZINC03622798 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 0.0340 1.5470 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 0.0590 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -0.7850 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -2.1670 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -2.7330 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -1.9150 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -0.5000 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 0.4090 1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -2.5040 1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -4.5180 0.0750 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -5.0110 -0.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -4.8610 1.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7550 -4.9800 -0.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -4.6560 -1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -5.7910 -2.6000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4370 -6.7330 -2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -5.8360 -2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1630 -7.0970 -2.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 -8.1760 -2.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9930 -5.6510 -4.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -6.7470 -4.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -6.6540 -6.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -5.4650 -6.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 -4.3700 -6.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -4.4620 -4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 2.0280 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 1.9740 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 1.7880 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -0.3690 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -2.7910 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 0.5250 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 0.0080 2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 1.4020 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -2.6970 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 -1.8380 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -3.4260 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -5.2110 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -3.7100 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -4.5120 -2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 -5.8220 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -4.9480 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -7.6910 -4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -7.5150 -6.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1160 -5.3950 -8.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 -3.4450 -6.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -3.6010 -4.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3950 -6.9030 -2.5860 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 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 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 M CHG 1 47 -1 M END