IBS-ZINC04023863 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 -2.2280 0.3550 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -0.9840 0.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -1.1910 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -2.5220 2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -2.8710 2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 -1.8960 3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 -0.5600 3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -0.2100 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -2.3300 4.3260 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4740 -3.4010 4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -1.6970 4.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -0.3020 4.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 0.5210 4.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -0.0610 5.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -1.0580 6.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -2.1360 5.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -3.2500 6.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -4.2610 5.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -3.1580 7.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -1.7170 8.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -0.9340 7.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 1.2590 6.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 2.0190 6.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 3.3150 7.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 3.8930 7.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 3.1360 7.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 1.8390 6.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 5.2970 7.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 5.8970 8.3240 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3680 0.7510 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 0.3460 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 0.9970 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -3.2970 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -3.9190 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 0.2460 3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 0.8410 1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 -2.2960 4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -1.6660 2.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0590 -3.6720 8.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -3.6780 8.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -1.2530 7.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -1.6720 9.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -1.3000 8.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 0.0920 8.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 1.6240 6.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 3.8860 7.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 3.5640 7.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 1.2890 6.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 5.7660 8.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 2 0 0 0 0 M CHG 1 29 -1 M END