PUBCHEM-ZINC05415531 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -1.0950 0.6810 0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.2940 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -0.8270 0.6870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5040 -1.6610 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 0.2620 0.6760 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 0.7190 -0.5870 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2650 0.0830 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 0.7360 -1.5860 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 2.0120 0.1610 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2680 2.9010 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 1.2340 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 1.4650 2.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 2.3430 0.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 2.6830 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 2.7210 -2.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3130 2.9700 -0.8080 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 3.3580 -1.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6500 2.9250 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6330 3.3720 -2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5510 4.8750 -2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1270 5.3160 -3.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1400 4.8700 -2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -1.4150 2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -1.7840 2.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -1.4220 -1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 1.4700 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 1.1660 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 0.1680 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 2.3210 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6730 2.9250 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 2.8390 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9580 3.3450 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 1.8340 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6530 3.1010 -2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4180 2.8370 -3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9050 5.4100 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2190 5.1510 -3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0930 6.4070 -3.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8250 4.8960 -4.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 5.1530 -2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 5.4100 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -1.0310 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -2.0810 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -2.0410 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -1.5310 2.2930 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 8 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M CHG 1 45 -1 M END