SIAL-ZINC00623956 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -2.5860 -0.7910 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -1.0380 -0.0310 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7680 -1.7000 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -1.6680 1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -0.5000 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 0.0800 -0.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3190 -0.5810 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 0.2260 -0.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 1.4560 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.5240 2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 -4.0370 2.4900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0290 -4.3510 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -4.8120 3.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -6.2440 3.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -7.1620 2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 -7.0100 1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 -8.1430 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4410 -9.3840 1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -9.5330 2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -8.4030 2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -8.2160 3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -6.8630 4.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -6.3500 4.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 -7.2350 5.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -8.5840 5.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -9.0910 4.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -9.7550 5.9090 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.1610 -10.8970 0.5590 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -4.2410 1.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -5.1980 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9400 -0.0930 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -0.3330 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -1.7230 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -1.0250 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -2.6590 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -0.6830 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 0.1490 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 1.4110 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 1.8680 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 2.1610 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -2.1750 3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -2.2380 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -4.6660 3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -4.4800 4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -6.0470 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9310 -8.0430 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -10.5050 2.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -5.3000 5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -6.8540 6.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -10.1470 4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -1.8280 1.4610 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0620 -2.5010 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 51 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 51 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 50 1 0 0 0 0 29 30 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END