IBS-ZINC00703019 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 0 0 1 0 0 0 0 0999 V2000 -0.0110 1.4370 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 0.0870 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3190 -0.5700 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 0.1930 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.5360 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 2.1780 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 1.9150 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 0.7940 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -0.2560 -0.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 0.6130 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 1.5270 0.7110 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 -0.7640 0.0980 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9330 -1.4050 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4210 -1.4930 1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0420 -1.9230 2.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9080 -1.0140 0.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 -0.6650 -0.6730 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0530 0.3680 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9090 -1.5590 -1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1600 -1.0190 -3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 -1.8550 -4.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0820 -3.2150 -4.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8450 -3.7790 -2.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7510 -2.9430 -1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3330 -0.8630 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0240 -2.2000 -0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1320 -3.2270 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6390 -3.0230 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2550 -2.8690 -0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7490 -1.7230 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2450 -1.8510 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1950 -1.7840 2.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 1.9210 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -0.4640 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -1.6160 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 3.2260 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 2.8880 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2910 0.0530 -3.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4350 -1.4530 -5.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1400 -3.9090 -4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 -3.4480 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4670 -0.1530 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7730 -0.4150 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8510 -2.9500 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6500 -2.5960 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6480 -3.2860 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9020 -4.1180 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0860 -3.8990 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8670 -2.1500 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2750 -1.6540 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9830 -0.8190 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0160 -2.7320 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8540 -0.9480 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 -1.4100 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5260 -2.0360 -0.4530 N 0 3 0 0 0 0 0 0 0 0 0 0 12.6990 -1.2030 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 32 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 25 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 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 55 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END