IBS-ZINC02108536 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 72 0 0 1 0 0 0 0 0999 V2000 -1.0860 1.9650 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 0.4880 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -0.0400 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -1.3950 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -2.2220 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -1.6950 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -0.3400 -1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -3.9500 0.2540 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -4.4160 -0.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -4.1030 1.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -4.6730 0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -4.6510 -1.1280 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1470 -3.8040 -1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -5.9510 -1.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -7.1090 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -7.8750 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 -8.8280 0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -9.4980 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 -8.6940 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -7.6080 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 -7.2320 -1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4730 -7.9210 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5630 -8.9910 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 -9.3830 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9590 -4.5190 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 -4.7520 0.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -4.1420 -1.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -3.9630 -3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -2.5640 -3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2080 -2.3800 -3.5480 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.5980 -0.9880 -4.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 0.0730 -3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2240 -0.0560 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8430 -1.4500 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5930 -2.5070 -2.0720 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6660 -2.3560 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 -3.9080 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 -3.3750 -4.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 2.4790 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 2.1320 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 2.3540 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 0.6060 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -1.8080 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -2.3410 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 0.0720 -2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -5.1110 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6790 -5.8920 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -6.0970 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -7.7580 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2380 -6.4000 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3360 -7.6300 -2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4960 -9.5250 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -10.2160 0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -4.0650 -3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 -4.7150 -3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 -1.8140 -3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -2.4520 -4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3330 -0.8940 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6720 -0.8460 -3.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -0.0710 -3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 1.0650 -3.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 0.6970 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2970 0.0920 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -1.5980 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1120 -1.5420 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8200 -4.6570 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4010 -3.9710 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6930 -3.3460 -5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 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 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 53 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 37 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 30 38 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 M END