CHEMBRIDGE-ZINC00468085 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 0 0 0 0 0 0999 V2000 -0.0520 1.8820 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 0.3720 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -0.3210 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -1.8470 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -2.5690 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -4.0510 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -4.7350 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -2.3580 2.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -2.8480 2.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -2.1610 3.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -2.4810 5.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -3.0970 5.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -3.3870 6.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -3.0640 7.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -2.4500 7.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -2.1500 6.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -1.4810 5.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -1.2470 4.4890 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9730 2.1560 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 2.3590 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 2.2890 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 0.1360 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 0.0160 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -0.1090 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 0.1270 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 -2.0480 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -2.0940 -0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -2.4780 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -4.5750 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -4.1440 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -4.2640 -1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -4.6860 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -5.7890 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -1.7090 3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -3.3630 4.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -3.8660 7.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -3.2900 8.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -2.2000 8.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -1.2070 6.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 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 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 2 0 0 0 0 M CHG 1 18 -1 M END