IBS-ZINC02129051 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.3170 0.8310 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.4480 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -0.9500 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -0.1780 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 1.1090 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 1.6090 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.7320 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 -0.9710 -1.1750 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0320 0.0050 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4990 -1.4970 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 -2.7060 -1.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5110 -0.5560 -1.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3970 0.8940 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7580 1.3650 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7110 0.3490 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -0.9690 -1.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1600 -1.5540 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3460 -1.7500 -2.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6740 -1.5290 -3.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -1.8600 -1.9470 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -1.4130 -3.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -0.3270 -3.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -2.3060 -4.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -1.9450 -5.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -2.8110 -6.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -4.0330 -5.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -4.3910 -4.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -3.5200 -3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -3.8640 -2.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -4.7460 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 -3.0790 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 -3.4900 -0.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 1.2220 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -1.0550 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -1.9520 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7030 1.7320 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 2.6070 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 -0.0170 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -1.6370 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2030 1.2110 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5900 1.2510 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 2.3930 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8110 1.3060 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9620 0.6560 -2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6490 0.2790 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -0.9950 -5.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -2.5370 -7.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -4.7100 -6.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -5.3460 -3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3680 -2.4850 -2.5690 O 0 5 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 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 20 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 16 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 50 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 21 22 2 0 0 0 0 21 23 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 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 M CHG 1 50 -1 M END