PUBCHEM-ZINC04795453 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.6210 1.6560 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 0.2190 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 0.0370 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -0.7510 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -0.0550 -1.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 0.6180 -1.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -0.1220 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7530 -1.1130 -0.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 0.3180 -1.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -0.3640 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5280 -0.0270 -0.9130 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4150 -0.7900 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -1.8210 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 -1.7660 0.1780 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.9250 -2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -1.5710 -1.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -1.0930 -3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -1.4690 -4.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -1.6250 -5.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.4090 -6.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -1.0360 -5.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 -0.8710 -3.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -1.6240 -7.9280 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 2.3470 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 1.7860 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 1.8600 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 0.2400 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -0.9870 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 0.7280 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -0.5660 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 -1.7760 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -0.6020 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 0.6290 -2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 1.6410 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 1.1100 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4770 -0.5960 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4490 -2.5580 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -1.6380 -4.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -1.9160 -6.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 -0.8690 -5.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -0.5760 -3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 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 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END