IBS-ZINC01830590 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 72 0 0 1 0 0 0 0 0999 V2000 -0.6860 2.6290 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 1.1420 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 0.3970 -1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -0.9930 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -1.6680 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -0.9160 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 0.4730 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -3.1820 0.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1010 -3.4600 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -3.6740 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -3.1260 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -3.2680 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 -3.9450 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9620 -3.3710 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 -4.0110 -1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5090 -5.2370 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7410 -5.8140 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 -5.1800 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6050 -5.9680 -1.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4270 -5.5230 -2.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4900 -4.5560 -1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 -6.7680 -2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -3.8940 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 -4.0380 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -4.6550 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -5.1410 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -4.9960 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -4.3780 -1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 -5.7530 -2.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8360 -6.0220 -1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7630 -4.8130 -1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4820 -7.2220 -2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 2.8630 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 3.1120 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 3.0570 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 0.8950 -2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -1.5400 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -1.4050 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 1.0290 1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -4.7720 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -3.3960 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -2.0410 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -3.3970 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 -3.4820 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 -2.1810 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 -2.4120 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6820 -3.5140 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0470 -6.7690 0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -5.6600 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8310 -5.0700 -3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1650 -4.2480 -2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0360 -3.6570 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0840 -5.0150 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3330 -7.4750 -3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7470 -6.5140 -3.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6830 -7.2930 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -3.6560 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 -4.7240 0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -5.3640 -3.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 -4.2770 -2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6500 -6.3110 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7240 -5.0190 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3190 -3.9380 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9470 -4.5310 -2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8120 -8.0880 -2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4290 -7.4930 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6680 -7.0140 -3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 -3.7300 -0.1030 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6820 -4.7560 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -3.5230 -1.1020 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 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 11 68 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 12 68 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 M CHG 1 68 1 M END