PUBCHEM-ZINC03729889 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.1770 1.1310 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.3010 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -0.8720 -0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -2.1190 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.9600 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -4.2140 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -4.6300 1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 -3.8060 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 -2.5440 0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9290 -1.6130 0.4120 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6410 -0.8330 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3280 -0.9180 1.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 0.3900 1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1940 1.0560 3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9820 0.4170 4.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 -0.8760 3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -1.5460 2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 1.0550 5.2240 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.2430 -1.2770 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6050 -1.9580 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9980 -2.7530 -1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7010 -3.3700 -2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6440 -3.0380 -1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -6.3220 2.3040 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 1.6190 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 1.1590 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 1.7070 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -0.8590 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -0.2980 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -2.6700 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -4.8510 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 -4.1550 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 0.9020 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 2.0640 3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0490 -1.3570 4.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4800 -2.5620 2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0410 -0.8060 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2090 -0.4970 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6610 -2.5960 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3640 -1.1790 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9590 -3.2530 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0880 -2.1190 -2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 -2.5140 -3.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 -4.1860 -3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 -3.9730 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -2.4370 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1370 -2.2860 -0.3490 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.4970 -2.9690 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0140 -3.8310 -2.0970 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.9090 -4.4880 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4590 -4.4100 -2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 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 30 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 24 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 47 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 49 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 M CHG 1 47 1 M CHG 1 49 1 M END