PUBCHEM-ZINC02043204 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 2.2330 -0.8300 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -0.6770 -0.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 0.4230 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 0.5810 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 1.6040 0.8570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 2.5270 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 2.4710 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 1.3970 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 1.2070 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 0.1090 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 2.3480 0.6190 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 1.8600 0.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 3.6880 0.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 2.1730 2.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4600 0.9900 2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 1.2000 3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9620 0.1130 4.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 -1.1140 4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2990 -1.9970 4.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8720 -3.1760 5.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1230 -3.6430 4.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7080 -4.7740 5.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0380 -5.4540 6.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 -5.0170 6.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2070 -3.8850 6.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8240 -6.9850 7.0110 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -1.6810 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -1.4230 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -0.1410 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 3.3480 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 3.2760 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 -0.0260 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 2.9900 2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 0.8100 3.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 0.1030 2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5410 1.3520 2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0830 2.0570 3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0830 0.9860 4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 0.2990 3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1760 -1.2340 6.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6220 -1.8430 3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6600 -3.1240 3.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6800 -5.1120 4.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2600 -5.5500 7.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2250 -3.5780 6.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5090 -0.0050 3.9700 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9900 -0.1860 4.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3870 -0.8410 3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 46 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 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 46 1 M END