SIAL-ZINC00637369 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 1 0 0 0 0 0999 V2000 1.1130 -0.7140 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.6370 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -0.0020 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -0.6410 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9290 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5220 -2.5640 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -1.9190 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9570 -2.6160 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1020 -2.0350 0.1420 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3260 -0.5800 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6850 -0.3780 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6840 -1.1480 0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5570 -2.5650 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1800 -2.9400 0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6810 -4.2540 -0.2830 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1560 -4.1130 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2410 -5.3420 0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3440 -6.6340 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8570 -7.6330 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2670 -7.3390 2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1640 -6.0450 2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6460 -5.0490 1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9700 -8.7040 3.3150 Br 0 0 0 0 0 0 0 0 0 0 0 0 -6.9890 -4.5020 -1.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -0.0970 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -0.9480 1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -1.6380 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 0.9930 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 -0.1470 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -3.5590 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -2.4110 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5380 -0.1360 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3370 -0.1190 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6190 -0.6980 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9560 0.6770 0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7660 -2.8200 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2520 -3.0880 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -4.5040 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -4.6180 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0240 -6.8640 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9380 -8.6420 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4840 -5.8150 3.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5620 -4.0400 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 -5.3590 -1.9810 H 0 0 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 10 1 M END