IBS-ZINC02130863 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 3.4590 0.7120 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 0.6040 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -0.0570 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -0.1630 1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -0.2650 2.5520 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0310 -0.8620 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -1.0710 3.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -0.5440 4.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -2.4120 3.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -2.8030 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -3.4390 4.6680 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7720 -2.9620 5.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -4.2030 5.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -3.3730 5.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -4.2240 6.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 -5.0820 5.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -4.5250 4.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -4.5330 2.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 1.0390 2.8030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 2.0830 3.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 3.2750 3.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 3.5170 3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 4.7910 3.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 5.0700 3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 4.0730 2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 2.7980 2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 2.5290 2.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 1.1940 2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 0.3170 1.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -0.2780 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 1.2870 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1190 1.2200 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 1.6250 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -1.1020 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -0.0310 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 0.4650 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -1.1760 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 0.3010 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -4.5740 4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -5.0940 5.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -2.8940 6.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -2.5780 5.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 1.8450 3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 5.5700 3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 6.0650 3.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 4.2880 2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8280 2.0200 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -3.9570 7.5980 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9000 -5.2350 4.9440 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 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 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 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 48 1 0 0 0 0 17 18 2 0 0 0 0 17 49 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 21 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 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 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 M CHG 1 48 -1 M CHG 1 49 -1 M END