PUBCHEM-ZINC04688277 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -4.7540 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -5.6310 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -5.3290 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7460 -6.1690 -2.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7330 -6.0710 -3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5810 -5.1770 -4.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 -5.0830 -5.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6890 -5.8770 -5.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8440 -6.7670 -4.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8670 -6.8710 -3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0340 -7.8460 -1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2440 -8.5310 -2.1040 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 -8.7610 -1.9680 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.0360 -7.1500 -0.7420 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.7350 -5.7720 -6.1520 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.6000 -4.9880 -7.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7310 -6.4710 -6.0880 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -5.5350 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -3.7040 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -4.9640 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 -6.6810 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 -5.4210 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -4.2790 -2.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 -5.5390 -3.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8540 -6.7930 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6990 -4.5570 -4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4410 -4.3880 -6.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7280 -7.3850 -4.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 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 34 1 0 0 0 0 7 35 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 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END