IBS-ZINC04888343 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 0.1970 1.1660 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.0230 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -0.3470 0.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -0.7540 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -2.0760 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 -2.4120 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -3.5500 -0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 -1.2270 0.0700 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -0.0820 0.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7160 0.5430 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 0.7360 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 2.0030 1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 2.7830 2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 2.2950 3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 1.0320 3.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 0.2590 2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 3.1240 4.9420 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6960 4.2520 4.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 2.6660 6.0220 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8740 -1.1220 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 -1.3230 1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9820 -1.2010 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5560 -1.3010 2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0760 -1.1570 2.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7310 -1.1910 4.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9530 -1.3190 5.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -3.0010 -0.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 1.2240 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 1.0690 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 2.0780 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 2.3930 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9470 3.7570 2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 0.6310 4.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8260 -0.7280 2.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -0.1480 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2770 -1.8950 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1620 -2.3070 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0420 -0.5820 2.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2690 -0.2380 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4110 -1.9880 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2750 -2.2640 3.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1100 -0.5200 3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3550 -0.2060 2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5210 -1.9600 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -3.8630 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9920 -1.0810 4.2910 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 46 -1 M END