NIH-ZINC00473745 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 0.8040 1.5110 1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 0.0990 1.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -0.5830 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 -0.1380 0.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -2.0050 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -2.4890 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -3.8450 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -4.7140 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -4.2280 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -2.8640 1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 -2.3430 3.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -3.0440 4.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -4.2700 4.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -2.1330 5.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5880 -1.5350 4.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -2.9880 6.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 -3.5700 7.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -3.1370 7.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -1.9850 6.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -1.1910 5.9430 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5070 -0.6120 6.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -0.1190 5.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -0.0950 3.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 1.9440 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 1.9390 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 1.7540 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -1.8090 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -4.2240 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -5.7760 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -4.9500 2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.2940 3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -3.7990 5.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3790 -2.3670 6.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 -4.3940 7.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -3.6210 8.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -2.3690 6.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -1.3250 7.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 0.6050 5.7260 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