PUBCHEM-ZINC05495413 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -2.3500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -2.7700 0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -2.7330 -1.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -2.8700 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -3.0900 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -3.4970 3.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -3.6860 3.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -3.4620 2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -3.0610 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -4.0900 5.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -5.0320 5.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -5.4660 6.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 -6.4780 6.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3670 -6.8780 7.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 -6.2820 8.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -5.2800 8.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -4.8640 7.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7710 -6.8390 10.3530 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 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 -2.9440 2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -3.6680 4.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -3.6070 2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -2.8910 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -5.4960 4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 -6.9440 5.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 -7.6600 7.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -4.8190 9.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -4.0790 7.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 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 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 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 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 M END