CHEMBRIDGE-ZINC04949508 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.0680 1.4110 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -0.1080 0.0990 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7370 -0.5860 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -0.5750 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -2.0980 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -2.5060 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -1.9380 -1.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -0.4940 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.7330 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -2.3460 -3.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -3.2380 -4.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -2.9540 -5.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -4.6310 -3.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -5.7900 -4.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -5.7040 -5.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -6.8310 -6.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 -6.2890 -7.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -4.8800 -7.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 -4.5680 -6.3680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -3.9440 -8.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -4.3900 -9.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -3.4800 -10.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 -2.1200 -10.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 -1.6700 -9.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -2.5630 -8.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 -0.2170 -8.7930 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6740 0.6460 -9.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 0.2130 -7.7160 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7320 -4.4810 -2.4280 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 1.8880 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 1.7430 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 1.6850 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -0.1160 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -0.2800 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -2.4320 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -2.5570 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -2.1230 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 -3.5930 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.2530 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 0.0540 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -6.7530 -4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 -7.8820 -6.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -6.8320 -8.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -5.4470 -9.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 -3.8190 -11.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 -1.4070 -10.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -2.2100 -7.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 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 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 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 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END