PUBCHEM-ZINC03873036 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 47 0 0 1 0 0 0 0 0999 V2000 0.4820 1.1630 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.2870 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -0.8680 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -0.4450 0.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7170 -1.4870 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 0.4650 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 1.4420 0.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -0.1690 -1.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -1.0020 -2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -2.0950 -2.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -0.4820 -3.4940 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7420 0.5850 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 -0.7450 -3.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 0.2090 -4.3040 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 0.2230 -5.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 -1.2190 -4.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -0.8130 -5.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 0.2180 -6.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 -1.7900 -6.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2410 -1.3670 -8.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 -2.4040 -9.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -1.9690 -10.8460 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4090 -1.0020 -11.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -3.0190 -11.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -3.2890 -12.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 1.2160 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 1.5850 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 1.8010 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -0.8630 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 -1.8950 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -0.8930 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -0.2730 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 0.7210 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 -1.8080 -3.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 -0.4930 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -2.0830 -4.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -1.8500 -6.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -2.7800 -6.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -1.2190 -8.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -0.3980 -8.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -2.5850 -9.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 -3.3630 -9.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 0.1150 2.3850 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1610 -3.4260 -11.7080 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3500 -1.8020 -11.1920 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6210 -0.8530 -11.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 -2.2340 -10.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -2.4100 -12.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 43 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 45 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 M CHG 1 43 -1 M CHG 1 44 -1 M CHG 1 45 1 M END