NIH-ZINC03006954 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -0.2200 0.3890 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 1.0300 2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.9290 3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 1.7390 3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 1.1170 2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 1.0870 3.1950 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 1.9790 4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 2.2220 4.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 2.9350 6.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 3.8020 6.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 2.5240 6.6900 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 2.3910 5.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5990 2.0840 5.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0610 1.4380 4.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5860 2.6090 6.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8940 2.8580 5.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8850 3.2910 6.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5730 3.4540 7.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2680 3.2320 8.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2760 2.7980 7.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8270 4.0230 9.0650 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.1340 4.6800 10.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8240 4.7310 8.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5230 2.5780 9.6510 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6710 1.7090 10.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5580 0.6760 11.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2830 -0.1110 10.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1340 0.7230 9.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3150 1.7580 8.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 0.5270 1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -0.6640 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 0.8870 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 0.4940 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 1.3780 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.0170 2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.7180 4.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 2.9800 3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 1.7410 6.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 3.0230 7.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 2.9840 6.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1500 2.7100 4.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8870 3.4860 6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0150 3.3810 9.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2870 2.5860 7.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9310 1.1950 9.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1540 2.3080 11.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9390 -0.0070 11.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2690 1.1580 11.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6730 0.0750 8.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8740 1.2060 10.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9940 2.3930 8.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6300 1.2460 8.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -0.5620 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 0.7780 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 1.0710 1.2560 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9670 2.0590 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 55 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END