NIH-ZINC00473743 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 1.1860 1.4780 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 0.0590 -0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -0.6030 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -0.0880 1.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -2.0650 0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -2.5930 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -3.9690 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -4.8250 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -4.3130 1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8310 -2.9350 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -2.3890 2.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 -3.0610 3.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 -4.2780 4.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 -2.0910 4.9250 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1990 -1.2460 5.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 -1.5590 4.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 -0.8680 5.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 -0.9520 6.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9760 -1.7730 7.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -2.7480 6.2750 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8490 -3.6350 6.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 -3.1890 7.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -2.7810 6.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 1.7340 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 1.8960 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 1.9020 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -1.9470 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 -4.3710 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -5.9000 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0230 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 -1.3630 2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6900 -2.3760 3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 -0.8540 3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8970 -0.2730 4.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -0.4120 7.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 -2.3400 7.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 -1.0820 7.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -3.8940 8.1200 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 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 M CHG 1 38 -1 M END