PUBCHEM-ZINC06146828 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.2530 1.2910 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -0.0670 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 -0.6780 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 0.0960 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 1.4540 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 2.0720 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 3.5370 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 4.0720 -0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 4.2870 -0.5510 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8070 5.5710 -0.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 6.3210 -0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 7.7180 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 8.5100 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 9.8670 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 10.4710 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 11.9440 -1.1280 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6700 12.7310 -1.2890 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2350 12.5660 -1.0530 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4650 9.7050 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 8.3450 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -2.8860 -1.1310 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -4.2670 -0.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -2.2620 -1.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -2.5980 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -1.5900 -3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -1.3640 -4.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -2.1470 -5.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -3.1560 -4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -3.3840 -3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -1.8380 -6.9890 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 1.7640 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -0.6690 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2200 -0.3810 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 2.0530 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 5.8460 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 8.0430 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 10.4740 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 10.1870 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 7.7520 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 -0.9790 -3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -0.5760 -5.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -3.7670 -4.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -4.1740 -2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -2.0580 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -2.5390 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 21 44 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 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 16 1 M CHG 1 17 -1 M CHG 1 18 -1 M END