OTAVA-ZINC00943756 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 0.8520 1.1750 3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -0.1820 3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -0.7030 2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 0.5950 2.5160 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 1.7490 3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -2.0640 2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 -2.4600 1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 -3.8130 1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -4.7860 1.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -3.8960 1.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -2.8220 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9370 -1.4610 1.6830 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 -2.7640 0.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9990 -3.9800 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6090 -3.7520 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3310 -2.4720 -0.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6100 -1.2560 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9980 -1.4820 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6300 -2.4140 -1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2440 -3.4380 -1.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3080 -1.1050 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6050 -0.9430 -0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2320 0.2810 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5780 1.3470 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 1.1930 -2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6570 -0.0280 -2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2570 2.6570 -1.7450 N 0 3 0 0 0 0 0 0 0 0 0 0 14.3890 2.7950 -1.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6840 3.5970 -2.2660 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0100 1.7380 3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -0.7790 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 2.8030 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -2.7900 2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7910 -4.1900 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3050 -4.8200 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3020 -4.5610 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8170 -3.7200 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3040 -0.4150 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 -1.0460 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 -0.6740 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7900 -1.5100 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1160 -1.7750 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2360 0.4070 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 2.0290 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6550 -0.1470 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END