IBS-ZINC02344206 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 0.2290 1.6480 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 0.1680 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -0.3480 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -1.7230 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -2.5980 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -2.0960 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.7150 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -2.8370 -2.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -4.2370 -2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -4.8130 -3.5610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3500 -4.2460 -4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -6.3060 -3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -6.7810 -5.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -7.1870 -5.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -7.1730 -5.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 -6.7280 -4.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -7.7190 -6.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 -7.7450 -6.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 -8.2340 -7.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 -8.6820 -8.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -8.1990 -7.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 -7.6710 -6.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -7.5420 -7.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 -6.9260 -5.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -6.4140 -5.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0590 -6.5540 -6.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 -7.8170 -6.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6640 -9.3610 -7.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0830 -6.9170 -7.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -8.7050 -9.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -4.6430 -3.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 -3.7020 -3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 2.0770 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 1.8690 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 2.1380 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 0.3170 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -2.1150 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -3.6590 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 -0.3280 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -4.3890 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -4.7170 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -6.5380 -3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -6.9120 -3.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -5.8430 -4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 -5.6660 -6.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -6.5490 -7.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -8.7080 -6.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -7.7940 -5.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 -9.4420 -6.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8790 -10.1100 -7.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4060 -9.4630 -8.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6190 -5.9660 -7.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4930 -6.8860 -6.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8600 -7.1580 -8.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -9.0940 -9.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 -9.5100 -8.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -7.8920 -9.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0310 -7.9950 -7.3800 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5940 -7.9580 -8.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 22 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 58 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 58 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 58 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END