IBS-ZINC02293831 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 1 0 0 0 0 0999 V2000 0.2730 1.4090 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0310 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -0.7430 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -2.1060 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -3.2880 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -4.4860 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -4.5210 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -3.3660 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -2.1760 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.9120 -1.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -0.6710 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.2310 2.4740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4700 -1.0170 3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 0.1550 3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 1.3770 4.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 1.9280 6.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 0.1500 6.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -0.3580 5.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 1.2650 8.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 0.1320 9.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -0.0120 10.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -1.0760 11.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -1.9770 11.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -1.8430 10.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 -0.8000 9.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3380 -2.8390 10.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -3.6190 11.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 -3.0720 12.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 0.9060 2.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 1.6370 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 1.6820 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 2.0380 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -3.2790 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -5.3960 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -5.4610 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -3.3980 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 0.9370 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -0.6950 3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 0.6840 4.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 2.2190 4.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 2.6990 6.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 2.3350 6.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -0.6900 7.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 0.8950 7.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.7840 5.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -1.1740 5.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 1.8330 8.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 1.9530 8.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 0.7040 10.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -1.1900 12.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 -0.7240 8.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 -3.6730 12.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5830 -4.6330 11.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 1.3520 3.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 0.7060 4.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 0.8050 7.1930 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0130 0.0950 7.0510 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 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 55 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 55 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 56 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 56 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 56 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 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 29 54 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END