IBS-ZINC05148274 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -2.5400 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -2.7290 3.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -3.2020 4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -3.2910 3.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -2.8840 2.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 -2.8530 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 -3.4860 5.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -3.0500 6.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -2.5880 5.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -2.5090 4.1490 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8000 -1.5260 3.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -3.5760 3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -4.9100 3.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -5.8980 3.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -5.5600 2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -4.2090 2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -3.2210 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 -4.1770 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1550 -3.1470 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -3.4430 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6490 -4.7600 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -5.7880 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 -5.5100 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -6.3240 1.9090 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -7.7850 1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 -8.1980 3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -2.1530 6.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -1.8070 6.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -3.0780 7.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -5.1780 4.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -6.9340 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 -2.1810 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 -2.1210 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8120 -2.6460 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5130 -4.9820 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2660 -6.8110 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 -8.1620 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -8.2010 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -9.2860 3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 -7.8220 4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9220 -7.7830 3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -3.4040 8.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -2.7720 8.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 32 3 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 M END