PUBCHEM-ZINC05733150 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -0.5940 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -0.6910 0.0090 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -2.1400 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1490 -2.4420 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -2.6580 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -4.0870 1.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -4.6940 0.8220 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0190 -4.3840 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -4.2580 -0.6430 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1000 -4.6850 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -2.7290 -0.7100 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1870 -2.3860 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -2.3020 -2.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -1.1580 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 -0.5340 -1.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 -0.6520 -3.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -4.7200 -1.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -5.9330 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -6.5870 -1.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -6.4790 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -6.1520 0.8900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -6.8340 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -8.1550 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -8.3340 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -7.0410 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4210 -6.8860 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2380 -7.9960 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 -9.2730 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -9.4490 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 -10.7780 0.8920 Br 0 0 0 0 0 0 0 0 0 0 0 0 -6.7060 -7.8250 0.7230 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.1860 -6.7080 0.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4340 -8.8010 0.7270 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -2.2760 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -2.3210 1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 -1.0570 -4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 0.4360 -3.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -0.9700 -4.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -5.7530 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -7.4090 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -6.6700 -3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -6.3770 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -8.9370 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8520 -5.8980 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9170 -10.4430 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 50 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 M CHG 1 33 1 M CHG 1 35 -1 M END