IBS-ZINC04073989 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.0450 0.9500 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 0.1380 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 0.1960 -0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.7460 0.1690 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2190 -0.3540 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9110 -0.8350 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -2.3180 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -2.8640 -0.7450 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2690 -2.5060 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -2.1960 0.5970 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3430 -2.7960 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -4.3040 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -4.9660 2.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -4.9510 -0.1830 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7880 -4.7260 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -4.3660 -0.6800 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1110 -4.6610 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -4.9870 -2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -6.5010 -1.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -7.0960 -1.3290 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3160 -6.9200 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -6.4650 -0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1960 -7.0230 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 -8.5280 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -9.1810 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -10.1320 -1.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -8.6060 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -6.7710 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -2.2300 1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 1.5220 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 1.6320 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 0.2820 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -0.5220 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -0.2070 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -2.8430 -1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -2.3950 -2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -2.4670 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 -2.4540 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -4.7740 -2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -4.5700 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -6.9520 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -6.7100 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 -6.5220 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 -6.8500 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -8.7010 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -8.9430 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -9.0820 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -8.7850 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -6.3180 1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -7.8500 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -6.3630 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -1.6400 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -3.2610 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -1.8150 1.1060 H 0 0 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END