CHEMBRIDGE-ZINC01129304 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 0.0510 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 0.7200 1.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 -0.1730 2.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 0.4210 3.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 0.0650 4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 0.8870 5.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 0.5600 6.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -0.5880 7.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -1.4090 6.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -1.0800 5.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -0.9380 8.5520 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7830 -0.2150 9.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -1.9490 9.1390 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1050 -0.1480 -1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.9100 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -1.9180 -2.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -0.5220 -3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4290 0.6350 -3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 0.9960 -4.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 0.2130 -5.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 -0.9430 -5.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -1.3080 -4.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0090 -1.7080 -7.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -2.8790 -6.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 0.5730 -7.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3280 1.7680 -7.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 1.5050 3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 0.0410 3.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 1.7830 4.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 1.2010 7.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -2.3060 7.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 -1.7190 5.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 0.6550 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 1.2460 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6650 1.8900 -4.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -2.2000 -4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -3.3970 -7.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.5920 -6.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 -3.5400 -6.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 1.9400 -8.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 1.6640 -6.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 2.6120 -6.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 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 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END