CHEMBRIDGE-ZINC03106095 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 0 0 0 0 0 0999 V2000 1.4940 1.5850 2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 0.4680 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -0.1340 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -0.7660 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -1.9490 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -2.6410 2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -4.0460 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -4.7440 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 -6.1540 2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 -6.6980 3.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5310 -7.9700 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -8.7970 2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 -10.0890 2.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -10.5700 3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6830 -9.7630 4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 -8.4790 4.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1980 -7.6500 5.8770 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2340 -7.7000 6.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 -6.9690 6.0290 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4590 1.1950 3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3160 2.3070 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 2.1280 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 0.8330 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -0.0280 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -0.4140 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 0.9540 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -0.4830 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -0.4230 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -1.8580 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -1.8220 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -2.5310 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -2.0570 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -2.7100 2.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3880 -4.6390 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 -3.9820 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 -4.1560 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -4.7950 3.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5430 -6.7630 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -6.1090 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 -8.4740 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 -10.7240 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 -11.5740 3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 -10.1330 5.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -0.5670 1.3320 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3540 -0.6320 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 44 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 44 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 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 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 44 1 M END