PUBCHEM-ZINC05495446 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.6160 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6720 -1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.3270 -1.1780 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -2.7220 -2.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -2.7200 -0.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 -2.8740 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -3.0880 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 -3.5160 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8640 -3.7330 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 -3.5140 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -3.0910 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0370 -4.1570 1.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 -5.1210 2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 -5.5600 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 -6.5550 3.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6630 -6.7760 4.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5750 -5.9910 3.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8380 -4.9090 2.3530 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.4330 -6.0660 3.7900 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.1820 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -2.9200 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 -3.6820 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -3.6800 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -2.9260 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 -5.5820 2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 -7.1120 4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9280 -7.5270 4.7620 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 M END