IBS-ZINC06669572 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0620 1.1170 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 0.8250 2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 3.0450 1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 3.4820 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 5.0110 2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 5.4480 3.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 5.7230 4.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 6.1270 5.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 6.2970 5.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2170 6.7340 6.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 7.1290 7.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4950 7.5110 8.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6600 7.5070 7.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6320 7.1180 6.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3980 6.7360 5.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0780 6.3140 4.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7370 6.2230 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 6.0410 4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 5.5780 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 5.3150 2.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5770 8.0460 10.1650 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 0.0290 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 1.4500 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 1.5800 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 1.1830 2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -0.2490 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 1.0300 3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 3.4520 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 3.3720 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 3.0590 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 3.1050 3.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 5.4290 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 5.4080 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 5.5650 4.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 7.1340 8.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6090 7.8070 8.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5390 7.1140 5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 1.5350 1.1880 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6250 1.2160 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 38 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 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 18 19 1 0 0 0 0 19 20 2 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 38 1 M END