PUBCHEM-ZINC02583077 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.0750 1.6530 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 0.2420 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -0.7660 1.1000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6870 -0.2880 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -1.1160 2.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -1.1920 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -0.3000 0.4570 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -1.4050 3.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -1.3520 3.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -1.7500 4.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -2.0550 5.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -2.3810 6.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -3.0080 7.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -4.1880 8.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -4.5700 9.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -3.7830 10.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -2.5990 10.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -2.2180 9.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8070 -1.0680 8.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -1.1330 7.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 -0.1600 6.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1010 0.8990 7.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 0.9720 8.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -0.0160 9.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -2.0070 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -3.0430 0.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 0.3030 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 2.0180 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 2.3730 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 1.6770 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -2.2430 1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -0.7450 2.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 -2.9240 5.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -1.2050 6.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -3.0390 6.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -4.8020 7.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -5.4890 9.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -4.1000 11.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -2.0010 11.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -0.2130 5.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 1.6770 6.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 1.8060 9.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 0.0490 10.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 0.5840 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -0.6530 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3020 1.0550 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 -1.8240 -0.3540 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 7 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 25 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M CHG 1 47 -1 M END