CHEMBRIDGE-ZINC04729757 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 0.2050 1.6080 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 0.1180 0.2900 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1470 -0.2810 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.6610 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -2.1760 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3760 -2.9050 2.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -3.0780 3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -3.7390 4.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 -4.2300 3.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -4.0570 2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -3.3960 1.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 0.3780 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 0.3300 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -0.7040 -1.0260 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3640 -0.5060 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 -0.7190 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -1.3980 -3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -1.3850 -4.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -0.6880 -5.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7120 -0.0020 -4.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 -0.0120 -2.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9310 0.7450 -4.4000 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3230 0.7310 -5.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4930 1.3500 -3.4750 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9970 -1.9810 -0.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 1.7640 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 2.1720 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 2.0440 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -0.4620 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -0.2780 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -2.4230 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -2.5500 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -2.7000 3.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -3.8740 5.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8110 -4.7460 4.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 -4.4390 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -3.2680 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 1.4680 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -0.0780 2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 0.0550 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 0.3110 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 1.3520 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -1.9450 -3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 -1.9200 -5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 -0.6900 -6.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 0.5260 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -2.6650 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -0.1030 0.4220 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.1330 0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 48 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M CHG 1 48 1 M END