PUBCHEM-ZINC06169232 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.9850 0.4170 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 1.7060 3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 2.8450 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 3.2970 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 3.4210 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 3.8850 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2890 4.2490 -1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 4.1520 -2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 3.6820 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 3.5860 -1.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 4.5330 -3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 4.4180 -3.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 5.0290 -4.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 5.3080 -5.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 5.7700 -6.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 5.9920 -6.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 6.4670 -8.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 6.7240 -9.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 6.5080 -9.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 6.0340 -8.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 5.7610 -8.2960 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 3.0550 1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -0.2820 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 0.0930 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 0.5050 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 1.4510 2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 0.9500 3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 2.6870 3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 2.4530 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 3.7090 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 3.9700 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0440 4.6050 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 3.8920 -2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 4.2380 -4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 5.9470 -4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 5.8080 -6.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 6.6360 -8.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3110 7.0930 -10.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 6.7110 -10.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 3.2980 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 1.7570 1.8730 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8760 2.0580 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 41 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 41 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 22 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 33 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 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 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 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 22 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 41 1 M END