IBS-ZINC04647418 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 40 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1180 3.9410 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 4.0960 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 4.6770 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 4.8760 -0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0370 4.6890 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 4.0940 -1.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 4.0790 -2.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 4.6380 -3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 5.0060 -2.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 5.1290 2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 5.7430 2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 6.1630 3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 5.9750 4.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 5.3660 4.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 4.9480 3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 6.5530 6.4600 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7540 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 3.9780 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 5.1350 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 4.7800 -4.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 5.8900 1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4620 6.6380 3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 5.2210 5.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 4.4770 3.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 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 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END