PUBCHEM-ZINC06213702 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 0.5580 0.4480 -1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -0.9550 -0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -1.2420 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -2.6550 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -2.9480 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8170 -2.6710 3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -2.9390 4.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -3.4910 4.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -3.7600 3.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -3.4820 2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 -4.3370 3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -3.7890 5.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 -4.9320 7.0300 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -5.1970 8.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -4.5220 7.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 -6.3870 6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -7.3000 5.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 -8.4470 5.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -8.6800 4.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -7.7770 4.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 -6.6270 5.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -8.0400 3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -7.1810 3.7990 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6280 0.5810 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 0.6320 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 1.2030 -0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -1.0640 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -1.6830 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -1.1210 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -0.5040 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -2.7830 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 -3.3970 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -2.2500 3.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -2.7120 5.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 -3.6900 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 -5.2980 3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 -4.5140 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 -3.6470 3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 -3.7850 5.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 -7.1310 6.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 -9.1650 5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -9.5800 3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -5.9220 5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -9.0990 3.0080 O 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 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 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 2 0 0 0 0 13 15 2 0 0 0 0 13 16 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 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 2 0 0 0 0 M CHG 1 23 -1 M END