IBS-ZINC02259537 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 1 0 0 0 0 0999 V2000 -0.9550 0.0680 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 0.1610 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 -0.6900 -1.7600 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2950 -0.4440 -2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -0.3840 -2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -1.2620 -2.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7450 1.0110 -2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 1.3770 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4880 2.6650 -2.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 3.5880 -3.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 3.2240 -3.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 1.9340 -3.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -2.1300 -1.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.8800 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -4.0760 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -4.1280 -1.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.9910 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -2.6760 -3.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -3.0190 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -1.8950 -4.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -1.1070 -5.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -2.2170 -4.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -0.5040 -6.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -5.0920 0.3170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -4.9070 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 -5.7830 2.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -3.6650 1.3260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -2.5970 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.5290 0.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 -3.4990 2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -6.3440 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5260 0.3770 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -0.9500 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 0.7260 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 1.2170 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -0.1250 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 0.6660 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5350 2.9470 -2.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 4.5920 -3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 3.9450 -3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 1.6830 -3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -3.9480 -4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -3.1950 -2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -2.2140 -4.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -0.9850 -3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -0.1850 -4.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.9010 -6.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -1.8660 -4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -3.0720 -5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 0.4150 -5.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 -0.9020 -6.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -0.3340 -7.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -4.2950 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 -2.5310 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -3.5990 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -6.7940 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -7.0540 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -6.1410 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0490 -1.5320 -5.6180 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0080 -2.3830 -6.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 22 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 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 59 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 59 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 59 1 M END