PUBCHEM-ZINC02956643 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 -4.4540 1.5760 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 0.1030 -1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 0.0010 -2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -0.5440 -0.8790 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8050 -0.3640 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 0.0530 -1.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -0.6540 -2.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -1.9870 -1.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -2.3330 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 -2.8330 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -2.3950 0.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -4.2860 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -4.7730 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 -6.2240 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 -6.7790 -1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -8.1400 -2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 -8.9580 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -8.4170 -1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -7.0570 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1100 -10.8240 -2.2600 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -5.1640 0.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -5.1270 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2700 -0.8310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -6.1270 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -7.1790 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -8.1100 1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -8.0080 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -6.9730 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -6.0310 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -5.0180 -0.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 -4.9840 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 2.0370 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 1.6490 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 2.0910 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2590 -0.4120 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 0.5830 -3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9010 -1.0420 -2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9400 0.3900 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 -4.0960 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -6.1420 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0060 -8.5690 -2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -9.0610 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -6.6350 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -5.7990 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -7.2620 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -8.9220 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -8.7410 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -6.9000 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -4.9000 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -5.9010 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -4.1260 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 1.3700 -1.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 1.7070 -2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 52 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 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 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 52 53 1 0 0 0 0 M END