PUBCHEM-ZINC05557906 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 0.0180 1.0830 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 1.0860 2.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 1.7480 3.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 1.5040 3.6230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 1.8260 2.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 1.1610 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 0.8840 4.9370 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 0.2680 4.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 0.1900 5.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 2.2480 5.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 2.8200 5.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0740 3.8910 6.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 4.3960 7.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 3.8240 7.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 2.7400 6.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 4.3610 8.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 3.8600 8.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 5.4040 9.4960 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7520 5.8500 10.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 5.8070 10.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 6.2480 11.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 6.7320 12.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 6.7760 12.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 6.3420 11.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 7.2940 13.9970 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5280 7.6820 14.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 7.3340 14.0800 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0280 -0.0070 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 1.4560 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 1.4480 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 1.3490 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 0.0040 2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 1.3160 4.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 2.8200 3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 1.4460 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 2.9060 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 0.0780 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 1.4780 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 2.4280 4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 4.3330 6.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 5.2330 8.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 2.2890 7.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 5.8460 9.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 5.4290 9.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 6.2140 11.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 7.0760 13.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 6.3810 11.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 1.5590 1.2230 N 0 0 0 0 0 0 0 0 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 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 48 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 6 48 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 43 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 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END