IBS-ZINC05112125 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 0.3230 1.2280 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -0.1080 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -0.6060 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 0.2520 -1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 1.5900 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 2.0980 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 3.5310 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 4.2350 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 3.5580 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 2.3690 0.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 4.3280 -0.4950 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5510 5.6940 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 6.3700 -0.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 5.7140 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 6.3210 0.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0470 6.3300 -1.2250 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 4.7380 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 3.8300 -1.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0070 4.4730 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8400 5.5300 -2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4300 6.6770 -2.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0940 5.2750 -2.8480 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0160 6.3750 -3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3100 6.1780 -2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8730 4.7850 -2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8660 3.7230 -2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5680 3.8920 -2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -1.9340 -1.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 1.6130 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -0.7800 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -0.1400 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 2.2560 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 4.0360 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 2.0050 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3380 3.4520 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 2.8750 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2390 6.3700 -4.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5580 7.3250 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0380 6.9330 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1000 6.2740 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0600 4.6810 -3.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8070 4.6510 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2770 2.7310 -2.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6600 3.8420 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 3.2050 -2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7540 3.6810 -4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -2.1950 -1.8060 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M END