IBS-ZINC04906410 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.8520 -2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 1.2650 -1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.1400 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 1.6020 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 2.1880 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 2.3140 -2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 2.6920 -0.3470 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3640 2.0010 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 2.8530 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 4.1610 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5380 4.8820 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 6.0720 -0.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 4.0260 0.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 4.3660 1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 4.3660 2.6710 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4300 3.4290 2.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 4.5830 3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 5.4690 4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 5.6820 4.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 5.4860 2.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 4.7200 -2.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 1.7950 -2.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 2.0770 -3.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 0.4000 -2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 -0.6560 -3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -1.8570 -2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -1.7920 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -0.1900 -0.7320 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 1.4690 1.5190 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3120 1.0640 2.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.7660 1.8690 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2990 1.9460 -3.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 0.9040 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 0.6820 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 2.7730 -2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 5.3540 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 3.6290 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 5.0980 3.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 3.6300 4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 6.4230 5.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 4.9550 5.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 6.6940 4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 4.9490 4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 5.6700 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 -0.5540 -3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -2.7850 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -2.6420 -0.7870 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 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 7 1 0 0 0 0 6 35 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 22 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END