NIH-ZINC04704589 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.3150 1.4770 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 -0.0320 -0.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4070 -0.5290 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -0.5520 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -2.3250 0.8640 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -2.6390 0.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -2.8360 -0.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -2.8610 2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -3.8680 3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -4.3170 4.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -3.7610 4.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 -2.7530 4.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 -2.2820 2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 -1.3140 2.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 -0.8020 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 -1.2040 3.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 -2.1940 4.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -0.4770 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 -1.1410 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -0.4370 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -0.3150 1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 0.3550 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 1.7200 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 1.8590 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 2.0220 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -0.2370 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -0.1770 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -4.3140 2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -5.1000 4.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2510 -4.1220 5.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -0.0340 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2820 -0.7630 4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 -2.5290 5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -1.0660 -1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.5460 -1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -1.1420 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -2.1910 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 0.5630 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 -0.9870 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 0.2630 2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 -1.3120 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 1.3820 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 0.3540 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -0.4170 0.0840 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2150 -1.4150 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 44 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 44 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 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END