IBS-ZINC02110829 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 53 0 0 1 0 0 0 0 0999 V2000 -0.0110 1.5340 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0040 -0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7090 -0.5450 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -1.1520 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -1.5220 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -2.1620 3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3870 -2.3570 4.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -1.9400 5.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -1.3070 4.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -1.0970 3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.5150 2.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 -0.1370 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 -2.9740 5.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 -3.1520 6.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -1.4080 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -0.5640 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -0.5570 -1.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -1.0700 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -1.4320 -3.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -1.1390 -1.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 -0.5720 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -0.5330 0.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -1.7250 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -2.1740 -3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -2.7520 -3.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -2.8860 -3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 -2.4330 -1.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -1.8620 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 -3.5030 -3.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 -3.8960 -4.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 1.9050 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.8880 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.9000 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 -2.4880 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 -2.1160 6.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.9890 5.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 -2.1800 6.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -3.7580 6.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 -3.6560 6.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -1.1470 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -2.4650 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 0.4540 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -1.0050 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -2.0700 -3.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 -3.1000 -4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -2.5360 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -1.5160 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1010 -3.6320 -3.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8560 -4.0430 -3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 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 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 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 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 48 49 1 0 0 0 0 M END