IBS-ZINC01813046 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 81 0 0 1 0 0 0 0 0999 V2000 -1.8190 -0.2510 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 0.1010 0.2330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2680 -0.3010 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 1.6410 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 2.2800 1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 3.7450 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 4.3750 0.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 4.2850 2.9100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 5.6730 3.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 6.6070 2.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 8.2540 3.4500 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 8.0840 4.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 8.6220 2.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.4810 -1.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1440 -0.0100 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -0.1070 -2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -1.4170 -3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -2.4670 -1.9230 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7830 -2.3530 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -2.0270 -1.2520 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5390 -2.8570 0.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2750 -2.6520 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -4.3730 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -4.8280 -1.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5850 -4.6220 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -3.9490 -2.3310 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1330 -4.1140 -3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -4.3310 -3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -5.8230 -3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -6.7160 -2.1330 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0200 -7.7480 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -6.3690 -1.3900 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6580 -7.2550 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -7.1700 0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -7.4880 0.0720 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0180 -7.2800 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -6.6650 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -8.8810 -0.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -9.1040 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -6.7670 -2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -2.5110 0.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -2.9270 0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -2.2290 -2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 0.1840 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -1.3270 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 0.1200 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 1.8670 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 2.1170 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 2.2250 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 1.7510 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 3.7030 3.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 5.7180 4.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 5.9410 2.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 6.6580 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 6.2700 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 0.5170 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 0.4680 -3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -1.3490 -3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 -1.6330 -3.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -4.6680 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -4.8870 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -4.0350 -2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -3.7770 -3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -6.0510 -3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -6.0620 -4.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -8.3040 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -7.0160 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -7.8790 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -6.1700 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5540 -5.6310 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 -7.0330 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 -6.6610 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -7.8170 -2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -6.1740 -3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -1.8410 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 -3.2770 -2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -1.6980 -3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7190 8.9900 3.0270 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 51 1 0 0 0 0 9 10 1 0 0 0 0 9 52 1 0 0 0 0 9 53 1 0 0 0 0 10 11 1 0 0 0 0 10 54 1 0 0 0 0 10 55 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 78 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 18 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 23 24 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 32 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 37 1 0 0 0 0 32 33 1 0 0 0 0 32 40 1 0 0 0 0 33 34 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 35 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 39 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 41 42 1 0 0 0 0 43 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 M CHG 1 78 -1 M END