NIH-ZINC06245192 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 3.0360 1.5140 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 0.8030 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -0.1640 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -0.8550 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -0.5890 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 0.3660 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 1.0530 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -1.4420 -0.6260 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 -1.7980 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -0.6430 -1.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -2.8360 -1.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 -4.1470 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -4.9670 -0.5980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3620 -4.2680 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -6.3230 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -4.3990 -1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -5.1620 -2.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -4.3700 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 -3.6330 -2.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6930 -3.8720 -2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -4.8510 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 -5.5950 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 -5.3580 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 0.9470 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 2.5170 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 1.6320 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -0.3870 2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -1.5990 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 0.5730 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 1.7830 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -2.7920 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -7.0850 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -6.2730 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -6.6660 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -2.8820 -2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3230 -3.2950 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3250 -5.0350 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8800 -6.3600 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 -5.9430 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -5.1290 -0.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -3.1680 -2.0560 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 18 1 0 0 0 0 12 40 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M CHG 1 41 -1 M END