IBS-ZINC02227583 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 1.2080 1.0080 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -0.4590 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 -0.9820 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 -2.3280 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 -3.1500 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -2.6260 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -1.2800 -1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -4.8650 0.1090 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -5.5250 -1.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -5.1870 1.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -5.0500 0.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 -5.2480 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -6.7240 -1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 -7.6310 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -9.0020 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -9.9900 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -11.3050 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -11.6820 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -10.7490 -2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 -9.3820 -1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2640 -8.4450 -2.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1110 -7.1640 -2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -6.2490 -3.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -13.1450 -1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -5.0180 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -4.3220 2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -4.2920 3.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -4.9540 3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -5.6490 2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -5.6780 1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 1.1640 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 1.3500 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 1.5720 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -0.3400 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -2.7370 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -3.2680 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -0.8700 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -4.7850 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -4.7900 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -7.3090 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -9.7100 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -12.0650 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 -11.0580 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 -6.0510 -4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -13.4860 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -13.2920 -2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -13.7160 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -3.8040 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -3.7500 4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 -4.9290 4.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -6.1650 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 -6.2180 0.6960 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 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 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END