NIH-ZINC00461857 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 3.3950 2.3640 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 1.1890 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.0280 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 0.3830 0.0420 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 2.0670 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 -1.3400 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -1.5570 -1.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -2.3230 -0.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 -3.7230 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 -4.3640 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -5.7610 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -6.5400 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 -5.8960 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -4.5010 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -8.0430 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -8.5490 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -8.8390 1.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 3.3740 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1230 1.1910 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 2.7580 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -1.9910 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2870 -3.8120 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4410 -6.2400 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -6.4830 0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -4.0380 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -8.4800 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 -8.3900 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 -8.6530 1.3640 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 M CHG 1 28 -1 M END