PUBCHEM-ZINC03026367 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 0.6680 1.4320 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -0.0780 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -0.4950 1.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -1.8010 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -2.5700 0.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -2.3080 2.6260 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1680 -1.8160 3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 -2.0020 2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -0.4870 2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -2.6430 3.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -3.7560 2.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -4.3760 3.9040 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -5.7870 3.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -3.7380 5.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -3.8420 3.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -4.6140 2.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -4.1950 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -3.0050 2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 -2.2330 3.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -2.6540 4.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1370 -2.5560 2.7000 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.8600 -3.2350 1.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 -1.5070 3.1620 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7310 1.6770 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 1.7460 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 1.9510 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -0.3220 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -0.5960 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -2.4060 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -0.0830 3.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 -0.2690 2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -0.0300 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -3.7290 3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 -2.3430 3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 -2.3150 4.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -4.3510 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -5.5440 2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 -4.7980 1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3030 -1.3030 4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -2.0530 4.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 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 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 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 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END