IBS-ZINC05246268 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 -0.1950 1.4490 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 0.0300 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -0.5460 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 0.1590 -2.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -0.5140 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 -1.9070 -3.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -2.6180 -2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -1.9450 -0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -2.6700 0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -2.7780 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -4.0240 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -4.5470 1.6620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -4.1370 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -5.3560 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -4.5090 0.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -4.5030 -1.9770 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 0.2600 -4.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 1.5020 -5.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7730 1.8900 -4.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9550 2.6660 -5.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 3.4110 -6.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2300 4.7300 -6.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 4.6670 -7.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0140 3.9480 -5.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 1.9090 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 1.8240 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 1.7300 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 1.2400 -2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -2.4450 -3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -1.9150 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -2.8550 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -0.3430 -5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 1.1670 -4.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 2.3810 -5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 0.8880 -5.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 2.4950 -3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3010 0.9610 -4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 1.6580 -5.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0730 3.1880 -4.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7950 3.5090 -6.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7370 2.8700 -7.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 5.6940 -7.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7800 4.1690 -7.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0370 4.5310 -5.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 3.9150 -6.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 0.6830 -3.9880 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6940 1.2060 -3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 -0.1630 -3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 2.5800 -5.7070 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 46 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 49 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 46 1 M END