CHEMBRIDGE-ZINC04954559 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.0250 1.2070 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -0.1790 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -0.9750 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -0.3920 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 0.9970 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 1.8230 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 3.3360 0.3070 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2740 3.6810 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 3.9670 1.7160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9210 4.9730 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 3.2330 2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 3.9750 4.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 4.2360 4.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 4.9510 3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 4.1900 2.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6110 4.9570 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 4.2390 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4430 2.9290 2.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -2.4280 -0.2910 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2140 -2.9060 -0.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -3.0930 -0.1740 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9290 1.8020 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -0.6120 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 -0.9960 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 1.4040 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 3.1450 2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 2.2140 2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 4.9300 4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 3.3940 4.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 4.8430 5.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 3.2850 4.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 5.9650 3.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 5.0530 3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 5.9700 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 5.0610 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 4.8460 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 3.2720 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 3.0450 3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 4.0200 -0.6450 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2140 3.4800 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 4.9320 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 39 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M CHG 1 39 1 M END