IBS-ZINC04729130 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.6360 0.5010 4.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 0.5160 3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 2.6130 3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6650 3.4240 2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 5.5270 3.4780 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2780 4.8370 3.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 5.1670 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 6.6700 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 7.3910 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 7.0600 3.1930 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7690 7.4890 3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 7.7940 3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 7.1930 2.5970 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8640 7.2750 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 5.6880 2.9040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7270 5.1680 1.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 5.9900 1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 7.4860 1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 8.0180 2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 5.4790 4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 5.3180 5.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 5.3000 4.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 5.1140 6.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -0.5590 4.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 0.5740 5.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 0.9320 4.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 0.6060 3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 -0.5500 2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 0.9300 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 2.9800 4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 2.7460 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 3.2200 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 3.1310 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 3.7500 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 5.1600 3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 4.7800 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7070 4.6750 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2250 6.8970 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6990 7.0360 2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 7.1330 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 8.4730 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 8.8540 3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 7.7730 4.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 4.1280 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 5.1910 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 5.8160 2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 5.6370 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 8.0330 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 7.6820 0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 9.0670 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 8.0040 3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 1.1760 3.4610 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 4.9540 2.6400 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9490 5.2470 1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 52 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 52 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 52 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 53 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 3 0 0 0 0 22 23 3 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END