IBS-ZINC04940542 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 2.0820 2.0080 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5630 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 0.1870 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -1.1620 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 -2.1570 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -1.7840 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -0.4340 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -3.5670 -0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -4.0170 0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -4.3480 -1.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -5.7620 -1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -6.4060 -2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -7.5990 -3.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -5.4060 -3.9150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -4.0920 -3.3500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2900 -3.8540 -3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -2.9940 -3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -3.0960 -3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -2.0560 -3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -0.9050 -4.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -0.7780 -4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -1.8200 -4.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2490 0.0960 -4.7700 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -5.6440 -5.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -5.6430 -5.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -5.7550 -5.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -6.3040 -0.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 2.2950 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7040 2.1960 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 2.6490 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 0.9410 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -1.4340 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8830 -2.5380 -1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -0.1690 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -4.0020 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -2.1470 -3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 0.1290 -5.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.7040 -4.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -4.9100 -5.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -6.6400 -5.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -4.9660 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -5.5330 -7.2100 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 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 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 27 2 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 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 42 -1 M END