SIAL-ZINC04534281 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 1 0 0 0 0 0999 V2000 0.0650 1.5270 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 0.1330 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -0.6590 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -0.0450 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 1.3540 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 2.1530 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 3.5520 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 4.1470 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 3.3670 0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 1.9750 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 6.0330 0.4180 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -2.0270 -0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 -2.7130 -0.1030 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8560 -2.2920 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -4.1850 0.2360 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6200 -4.2850 1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -5.0060 0.1820 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8510 -4.6800 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -4.8400 -1.1900 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7910 -5.4030 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -3.3450 -1.4500 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6920 -2.9160 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -2.6580 -1.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -3.0700 -2.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 -2.1340 -3.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -5.4290 -2.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -5.0240 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -6.3850 0.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -6.6690 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -4.7140 -0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 -4.0430 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 2.1190 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -0.2990 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -0.6740 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 4.1750 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6190 3.8260 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 1.3770 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -3.7740 -2.9320 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 3 4 2 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 38 -1 M END