PUBCHEM-ZINC04687454 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.0890 1.3710 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.1130 -0.3850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1820 -0.7070 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -0.3490 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -1.7400 1.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -2.0180 1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -1.8500 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.5180 0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 0.5020 0.0560 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6400 -0.0940 0.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 1.7840 0.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2040 0.4090 -1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 1.3050 -1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2160 2.6250 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 3.4470 -2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5880 2.9490 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7700 1.6290 -1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 0.8060 -1.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -2.0410 2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -3.3110 2.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 -3.6040 3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 -2.6350 3.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 -1.3700 3.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -1.0710 2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 -2.9530 4.6670 N 0 3 0 0 0 0 0 0 0 0 0 0 5.2660 -4.0670 5.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.1000 4.9400 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8350 1.6360 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 1.5620 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 1.9710 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -0.1600 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 0.3250 1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -3.0390 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 -1.3210 2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -2.6140 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -1.9420 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 0.7330 -2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -0.6190 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 3.0140 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 4.4780 -2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 3.5910 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7680 1.2400 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 -0.2270 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -4.0680 2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 -4.5920 3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6890 -0.6150 3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -0.0840 1.9050 H 0 0 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 4 1 0 0 0 0 2 8 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 19 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 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 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 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 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 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