NIH-ZINC04057848 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 68 0 0 1 0 0 0 0 0999 V2000 -0.2360 1.3690 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -0.0110 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -0.5340 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 0.3320 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 1.7270 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 2.2280 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2240 2.5840 -0.1050 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5400 3.5630 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 3.8170 -1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 2.9400 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 2.6660 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0660 4.5800 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 5.5580 1.2670 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3260 5.0160 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 6.5380 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 7.3580 2.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 8.3330 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3200 9.0920 3.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2370 10.1230 3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1990 10.3840 2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2230 9.6490 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2990 8.6170 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3460 11.7230 2.9540 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7640 12.1610 1.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7410 12.6570 3.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6750 10.9790 3.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4850 10.0150 2.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8050 9.7400 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5660 9.2330 4.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8380 10.1910 5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4750 10.4850 5.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9600 6.2750 1.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 7.0240 1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -0.2210 -0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 1.7790 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -0.6760 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -1.6080 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 3.3000 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 3.2260 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 4.5040 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 2.9440 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2470 4.6870 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 3.1970 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9160 2.0740 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 3.4800 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 1.7520 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 5.1040 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 3.7220 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3120 5.9900 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1830 7.1650 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5730 8.8810 4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1890 10.7090 4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9500 9.8690 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3480 8.0630 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9250 9.0800 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7000 10.4240 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3800 8.9870 3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4180 10.6470 3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7020 9.7690 6.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4370 11.1040 5.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9560 11.2360 5.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8770 9.5670 5.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 0.5150 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 4.0990 0.1200 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1400 4.9340 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 9 64 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 10 64 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 12 64 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 33 1 0 0 0 0 34 63 1 0 0 0 0 64 65 1 0 0 0 0 M CHG 1 64 1 M END