PUBCHEM-ZINC01378941 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5250 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 0.2500 0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -1.8540 0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9380 -2.3330 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2640 -3.5920 0.0280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 -3.8830 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 -2.7880 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3380 -1.3520 0.0630 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.8220 -2.8060 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4180 -3.8680 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5100 -1.6470 0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9060 -1.6610 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6320 -2.6860 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0100 -2.6980 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6670 -1.6890 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9460 -0.6670 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5690 -0.6470 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5540 -1.7090 -0.3330 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 -5.2970 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9040 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 1.8920 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.8730 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -0.3500 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -0.3690 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -2.4740 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0380 -0.8040 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1200 -3.4740 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5750 -3.4950 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4620 0.1190 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0070 0.1540 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -5.6490 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0230 -5.3250 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 -5.9390 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 28 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 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 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 31 1 0 0 0 0 19 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END