PUBCHEM-ZINC03766922 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 2.7960 1.6000 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9880 0.0820 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -0.4310 0.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -1.7710 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -2.5760 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 -3.9360 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -4.5070 1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.6950 2.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -2.3340 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -1.2320 3.5530 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 -5.9640 1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -6.6700 0.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -6.5130 2.6770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 -7.8440 2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -8.8370 1.5830 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -8.3930 4.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -9.7830 4.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -10.5910 3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -11.9760 3.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -12.5410 4.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 -11.7280 5.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -10.3550 5.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -9.4760 6.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -12.8440 2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -14.2120 2.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -14.7740 3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -14.6400 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -15.8870 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -15.9800 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -14.8340 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -13.5980 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -13.4800 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -12.4200 1.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 2.0540 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 1.9910 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.8360 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -0.3720 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -0.1540 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -2.1350 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -4.5610 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -4.1320 3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -5.9500 3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -7.8230 4.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -10.1480 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -13.6130 4.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -12.1670 6.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -9.2140 7.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 -10.0100 6.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1010 -8.5670 5.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -16.7820 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -16.9500 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 -14.9220 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 -12.7140 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 42 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 43 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 33 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 M END