PUBCHEM-ZINC05090768 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 0.3840 1.1640 -1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -0.3400 -1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -0.9690 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -2.3490 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -3.0980 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.4680 -2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -1.0890 -2.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -4.8560 -1.3340 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -5.3430 -2.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -5.2190 -0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -5.2720 -0.9820 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -5.5250 -2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -6.8760 -1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -6.8870 -0.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 -6.7560 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -5.4050 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3590 -8.0380 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -9.2920 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 -10.4270 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 -10.3160 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 -9.0690 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7050 -7.9280 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 -6.7100 0.2290 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.6760 -11.5350 0.4550 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.8370 -11.5770 0.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1790 -12.4970 1.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8940 -11.7880 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 1.4790 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 1.5060 -2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 1.5950 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -0.3840 0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -2.8410 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -3.0530 -3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -0.5960 -3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 -4.7360 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -5.5520 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -7.0300 -2.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -7.6750 -1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -6.8210 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -7.5550 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -5.3530 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -4.6040 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -9.3800 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5050 -8.9860 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -12.1310 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 -12.4910 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -11.7280 -0.8660 H 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END