D0G4KD Wcorina 11010620263D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 38 41 0 0 0 999 V2000 -0.0163 1.3543 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2783 -0.4423 -0.0125 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3486 -3.5119 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3983 -2.5958 0.0214 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1735 -3.0209 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1447 -4.7303 -0.0015 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 -4.7707 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6125 -7.1589 -4.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3342 -6.1413 -3.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0593 -5.7689 -2.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0627 -6.4156 -1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3413 -7.4334 -1.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6159 -7.8048 -3.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7628 -6.0103 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0489 -2.2064 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1877 -0.8658 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2984 -0.3693 0.0229 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 0.5925 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3831 1.7783 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0246 3.0195 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3896 3.0762 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1420 1.9095 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5286 0.6756 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0461 -4.3760 -1.2974 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 1.9919 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3993 -3.2628 0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 -7.4527 -5.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1124 -5.6365 -3.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5629 -7.9385 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0521 -8.6001 -3.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2322 -6.8182 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6963 -5.8061 0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1634 -2.6022 -0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 3.9301 0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8866 4.0351 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2203 1.9697 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1246 -0.2250 -0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 20 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 3 17 1 0 0 0 0 4 8 2 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 8 15 1 0 0 0 0 9 14 1 0 0 0 0 9 10 2 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$