IBS-ZINC04027863 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 -0.2940 1.5550 0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 0.1250 0.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -0.4780 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 0.0840 -0.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -1.9920 -0.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3650 -2.2640 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -2.5160 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -3.9880 1.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -4.9070 2.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -4.7950 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -5.9380 4.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 -7.1780 4.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -7.3140 2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -6.1630 2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 -6.0090 0.7810 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -6.7660 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -4.6960 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -4.1380 -0.8780 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4400 -4.4630 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -4.5500 -2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -4.9980 -2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 -5.3620 -3.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -5.2790 -4.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -4.8220 -4.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -4.4560 -3.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -3.8010 -3.6230 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 1.9260 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 1.9460 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 1.8940 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -2.2740 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6320 -2.0140 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -3.8350 3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -5.8550 5.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -8.0540 4.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -8.2820 2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -5.0760 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -5.7130 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -5.5640 -5.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -4.7540 -5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -2.6360 -0.7290 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2420 -2.3960 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -2.1920 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 40 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 1 40 1 M END