PUBCHEM-ZINC05093039 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.6530 0.7410 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.4380 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -0.6750 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 0.2630 2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 1.4500 2.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -0.3740 3.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 0.1640 4.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 1.5120 5.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 1.9810 6.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 1.1040 7.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -0.2420 7.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -0.7310 6.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -2.1980 5.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -2.5560 4.5430 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0500 1.7440 9.3310 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -1.4410 -1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -2.2390 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -3.1800 -2.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -3.3310 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -2.5410 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -1.6000 -1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 1.6060 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 0.5390 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 1.0080 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 -1.5850 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -1.4020 3.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 2.2200 4.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 3.0320 6.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -0.9260 8.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -2.1360 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 -3.7950 -2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -4.0640 -3.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -2.6570 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -0.9880 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -2.9460 6.7830 O 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 16 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 2 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 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 M CHG 1 14 -1 M END