IBS-ZINC03985178 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.0670 1.2610 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 0.0540 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -0.5550 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 0.0380 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 1.2550 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 1.8610 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 -0.6250 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 -1.0470 -1.3690 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2540 -0.1190 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 -1.7440 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 -2.9000 -1.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5440 -0.9400 -1.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9590 -1.3460 -0.9500 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9980 -2.2570 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5910 -1.6090 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3360 -0.5370 -3.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4140 -0.2680 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7730 -0.2400 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0730 0.7880 0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 -1.8690 -2.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -1.4870 -3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -0.5370 -3.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -2.2850 -4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -1.9630 -5.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -2.7390 -5.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -3.8310 -5.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -4.1500 -3.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -3.3720 -3.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6170 -3.6880 -2.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -4.4850 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -2.9830 -1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -3.3680 -0.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 1.7360 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -0.4120 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -1.4970 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 1.7440 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 2.8040 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 0.0910 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 -1.4730 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 0.0300 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6740 -1.7500 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1680 -2.5150 -2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -1.1130 -5.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -2.4940 -6.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -4.4350 -5.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -5.0040 -3.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9800 -0.5020 0.0370 O 0 5 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 47 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 M CHG 1 47 -1 M END