IBS-ZINC02248002 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 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 1.4540 -2.5140 2.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -3.8610 2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -4.3900 3.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -5.7590 3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -6.6020 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -6.0780 1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -4.7090 1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -8.3480 3.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -8.9050 1.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -8.5720 3.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -8.8570 3.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -9.2630 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -8.9380 4.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -9.4280 5.7870 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -8.9400 5.3480 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8360 -7.9700 5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -9.9840 5.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -9.8430 7.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -10.8000 7.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -11.8980 6.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -12.0390 5.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -11.0840 5.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -12.9410 7.1500 C 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 2.6480 -3.7310 4.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -6.1710 4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -6.7390 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -4.3000 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -8.7230 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 -10.3340 3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0860 -7.8760 4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 -9.5470 3.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -8.9850 7.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -10.6900 8.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -12.8970 4.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -11.1960 4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 -13.7100 7.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 -13.3950 6.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 -12.4730 7.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END