IBS-ZINC04085349 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.2030 0.9900 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -0.4320 -0.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1740 -1.1540 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -0.5940 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -0.7960 1.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -0.7090 1.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -0.8770 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -0.8130 -0.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -1.1560 2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 -1.3450 1.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 -1.6230 3.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 -1.7070 4.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2760 -1.9990 5.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5980 -2.1990 5.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 -2.1180 3.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -1.8300 2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4240 -2.3550 3.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8520 -2.6060 4.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0920 -2.9140 5.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2480 -3.0340 4.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1090 -4.1270 4.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2420 -4.2530 3.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5370 -3.2800 2.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6990 -2.1750 2.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5580 -2.0580 3.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8820 -1.1470 1.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0340 -1.2090 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -2.5170 5.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7280 -2.6740 7.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 1.1670 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 1.1920 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 1.7250 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -0.7910 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -0.2920 2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -2.0590 2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -1.5470 4.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -2.0670 6.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 -1.7680 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2890 -3.1220 6.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9000 -4.8930 5.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9000 -5.1090 3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4290 -3.4120 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9210 -1.1850 3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0020 -2.0870 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0340 -0.3190 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9520 -1.1910 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -0.5200 -0.3410 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 47 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 M CHG 1 47 -1 M END