PUBCHEM-ZINC03703024 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.4400 0.2280 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 0.8460 2.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 2.6620 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 3.1620 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 2.8030 0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 3.1640 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 3.9520 -1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 4.3170 -2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8680 3.8210 -2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0870 3.0290 -1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 2.6990 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1620 1.9250 0.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4690 1.4980 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0480 4.1660 -3.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6320 4.5970 -4.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3260 5.1820 -3.9440 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8550 4.5310 -4.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 6.3640 -3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 6.6040 -4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 7.8270 -3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 8.4600 -2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 7.6460 -2.6480 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 10.1180 -2.0490 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -0.7680 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 0.2900 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 0.4660 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 0.9130 2.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -0.1730 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9880 1.5390 3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 2.7260 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 3.2510 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 4.2510 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 2.7010 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 4.3080 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0970 2.6790 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3890 0.9330 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1290 2.3520 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8880 0.8280 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7170 3.3020 -3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6100 4.9750 -2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1990 3.7750 -5.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4750 5.0220 -5.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 5.9360 -4.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 8.2030 -3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 1.2210 1.4670 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9710 1.1820 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5960 5.6590 -4.6040 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3730 6.0430 -5.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 6.4480 -4.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 45 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 45 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 36 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 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 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 23 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 M CHG 1 45 1 M CHG 1 47 1 M END