PUBCHEM-ZINC04096067 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 1 0 0 0 0 0999 V2000 -0.6610 -0.3170 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.3250 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -1.5430 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -0.3060 -0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 -0.1570 -1.5480 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6550 -0.8990 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -0.3940 -3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 0.6780 -3.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 1.1850 -1.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 1.5850 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8170 0.8490 0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 3.0580 -0.6150 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8780 3.6230 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 3.2620 -1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 4.7140 -2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 5.5170 -1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8590 6.8640 -2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 7.4170 -3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 6.6250 -3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 5.2790 -3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 3.5700 0.6250 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6730 3.2680 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 2.6170 0.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 3.8180 2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 5.5530 2.3250 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2260 0.5690 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -1.2030 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -0.2990 2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 0.5830 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -2.4760 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -1.5360 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -1.5570 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -1.2270 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 0.5200 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 1.8090 -2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 2.8500 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 2.7020 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5910 5.0950 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 7.4800 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 8.4650 -3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 7.0520 -4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8990 4.6730 -3.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 4.1810 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 3.7380 3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7800 3.2310 2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 5.7220 3.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -1.5990 -3.3890 O 0 5 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 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 47 1 0 0 0 0 9 10 1 0 0 0 0 9 35 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 14 1 0 0 0 0 12 21 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 M CHG 1 47 -1 M END