PUBCHEM-ZINC00642982 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 0.7890 0.3580 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -0.9740 -0.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -1.9450 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -1.3030 -0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -1.0650 0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 -1.3550 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -1.8950 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 -2.1750 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -1.8590 -1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -2.1060 -2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -2.6420 -3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 -2.9580 -3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -2.7290 -2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 -3.2450 -2.2020 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7810 -4.0160 -3.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 -3.8310 -0.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3430 -1.7800 -2.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3380 -1.0440 -3.6250 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0430 -1.7010 -4.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6950 -0.3910 -3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7950 -1.3940 -4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6070 -1.2760 -5.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8600 -2.4130 -3.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5830 -3.1140 -3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1490 -2.4700 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 0.1290 -3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 0.3210 -2.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 0.4270 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 0.6430 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 1.0910 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -2.0510 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -2.9270 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -1.6440 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.6370 1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -1.1530 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -2.0780 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -1.8690 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -2.8100 -4.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6730 -3.3810 -4.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 -1.0550 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0070 0.2150 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6410 0.2780 -4.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 0.7040 -4.4480 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 M CHG 1 43 -1 M END