PUBCHEM-ZINC02117314 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.6680 1.3120 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 0.2380 0.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7060 0.6860 -0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -0.7760 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -1.9360 0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -0.4400 1.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 0.1300 1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 1.2840 1.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 -0.7900 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -1.0120 3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.8290 4.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -2.1880 6.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -3.0110 6.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 -3.1160 5.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 -2.4150 4.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 -1.3180 2.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 -1.1840 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 -0.6830 0.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1920 -1.7660 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6600 -2.3300 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9350 -2.8940 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -2.8880 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2880 -2.3090 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0150 -1.7410 2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4010 -2.2880 3.6440 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 2.0710 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 1.8230 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 0.8800 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -1.4150 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -0.5520 3.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -1.8880 6.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -3.4690 7.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 -3.6290 5.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 -1.8740 3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0320 -2.3380 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2930 -3.3380 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7410 -3.3300 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 -1.2660 3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -0.3360 -1.2840 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 1 39 -1 M END