PUBCHEM-ZINC03809861 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 -0.8220 1.8340 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 0.5220 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 0.1180 2.0510 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2280 -0.4070 2.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -0.2940 0.2950 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1950 0.4240 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 0.6580 -0.5360 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -1.3900 -0.6140 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2200 -2.0620 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 -0.7420 -1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 -0.0020 -1.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -1.0890 -3.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 -0.5350 -4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9070 -0.8440 -5.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -0.1560 -5.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -0.4490 -6.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -1.4330 -7.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -2.1280 -7.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -1.8390 -6.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -2.1970 0.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -3.5300 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -4.1370 -1.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2630 -4.1930 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -5.1730 1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -6.4840 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -7.3840 2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -6.9830 3.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -5.6810 3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -4.7780 2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 1.1270 2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 0.6620 3.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -0.6010 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 2.7030 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 2.0150 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 1.8110 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -1.7530 -3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 0.5500 -4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 -0.9450 -4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 0.6100 -4.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 0.0900 -6.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -1.6600 -8.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 -2.8970 -8.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1950 -2.3950 -6.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -1.7320 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 -4.6960 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8410 -3.4440 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 -6.8170 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 -8.3970 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 -7.6840 4.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -5.3610 4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -3.7650 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 -0.3620 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -1.5660 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 -0.7420 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -0.8870 1.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -0.8830 2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 2.2360 3.1780 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 7 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 55 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 55 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 57 -1 M END