CHEMDIV-ZINC04151215 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 0.1560 1.1190 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.1160 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -0.6380 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 0.0720 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 1.3260 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 1.8410 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 2.1110 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 2.6570 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 3.2790 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 3.1450 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 2.4550 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.2020 -2.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 1.5900 -3.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 1.3500 -4.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 1.7310 -5.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 2.3550 -4.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 2.5940 -2.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 1.4050 -6.9230 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 2.5070 2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 3.8120 3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 3.4520 4.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3130 3.2500 5.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 -0.5740 -1.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 1.5260 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -0.6770 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -1.6120 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 2.8140 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 3.7810 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 3.5510 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 1.2870 -3.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 0.8680 -5.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 2.6600 -4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 3.0940 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 1.6740 2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 2.2220 3.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 4.5070 3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 4.3250 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -0.0960 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 3.4020 4.2150 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 19 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 29 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 23 38 1 0 0 0 0 M CHG 1 39 -1 M END