PUBCHEM-ZINC00673706 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 1.6490 0.6980 6.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -0.7600 5.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -1.1410 4.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -2.4760 4.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -3.4360 4.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -3.0510 6.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -1.7120 6.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -4.3540 7.2390 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -4.7500 4.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -5.0730 3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -6.5650 3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -7.2820 4.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -7.1040 2.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -8.4770 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -9.3740 2.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -10.7290 2.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -11.1930 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -10.3030 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -8.9470 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -12.9230 1.0730 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -13.0570 -0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -13.5010 2.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -13.5140 0.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -13.1030 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -13.5940 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -13.1540 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -12.2830 -2.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 -11.8370 -2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -12.2300 -1.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 -10.9510 -2.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 -10.5550 -4.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -13.6060 -1.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 -13.1040 -2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 0.9620 6.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 0.8810 6.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 1.3060 5.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -0.3940 3.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -2.7740 3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -1.4120 7.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -4.7330 3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -4.5800 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -6.5390 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -9.0120 3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -11.4270 3.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -10.6690 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -8.2530 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -14.1480 1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -14.3010 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -9.8450 -4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -11.4310 -4.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -10.0850 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8050 -13.5440 -2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8920 -12.0200 -2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 -13.3650 -3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 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 42 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 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 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 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 47 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 48 1 0 0 0 0 26 27 1 0 0 0 0 26 32 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 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 32 33 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 M END