PUBCHEM-ZINC03875980 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.7110 1.0410 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -0.3020 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -0.8150 0.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -2.0750 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -2.8420 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -4.1160 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -4.6580 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 -5.9490 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 -6.5160 -2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2820 -5.7980 -1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -4.5130 -1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -3.9030 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -2.6010 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 -1.7670 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 -1.5960 -1.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -1.2460 0.9670 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -1.4480 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 -0.3780 1.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.3020 -0.5720 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 -0.2850 2.8990 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.7030 -0.2860 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0760 1.0320 2.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0430 1.1570 1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 2.0660 0.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 1.7210 4.0230 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6860 2.2120 3.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 0.5830 5.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -1.0410 4.0750 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 0.6840 5.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 0.4690 6.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5550 2.8300 4.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7690 2.7540 4.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 1.4840 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 1.7340 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 0.9310 2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -0.1630 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.9780 1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -2.4810 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -4.6880 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -6.5310 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 -7.5160 -2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -6.2300 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -3.9900 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 1.6150 6.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7610 -0.1440 6.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 0.6810 4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4370 0.3810 5.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 -0.4060 6.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3890 1.3430 6.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 3.6730 5.3070 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 M CHG 1 50 -1 M END