D0J0PR Wcorina 11010620233D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 82 87 0 0 1 0 999 V2000 -0.3063 1.2089 0.1173 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6772 -3.0990 0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -2.1694 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -0.1864 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4892 3.4974 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4024 -2.9732 0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4391 -0.7812 0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -4.2898 0.4006 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1491 -4.3579 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7533 4.0999 -0.2323 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7308 2.0540 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5785 5.4625 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8409 -2.3663 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 6.5306 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2039 -3.6905 -1.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8072 5.7089 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 0.3030 0.4245 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9354 -0.9922 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7056 1.6159 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 4.4540 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 7.8238 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2391 -4.5404 -1.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9604 -3.1303 0.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0908 -2.7414 0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 8.0688 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2809 7.0254 -0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8077 -5.4339 -1.9484 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8673 1.6214 -0.0891 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4901 -3.4297 -2.1398 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4578 -5.2478 -2.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1837 -4.7806 -0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8066 -2.6344 -0.2312 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8114 6.3017 -0.4359 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9128 -5.0354 -3.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6086 -4.5876 -0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8606 8.8634 -0.6492 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5018 0.1479 -0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5963 -2.5312 1.9783 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8463 9.3448 -0.6752 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9403 -5.6317 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7915 1.6304 -0.6493 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.2105 -5.4086 -2.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4234 5.9757 -1.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 9.5383 0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 9.5255 -0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0028 -2.1807 2.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2161 -5.0568 0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6068 3.6402 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 0.2748 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9021 -0.5310 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8253 2.2358 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0412 2.1545 -0.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5188 4.2860 -0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3432 7.2194 -0.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 -6.3125 -2.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7881 -4.8480 -3.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 -4.0721 0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 -5.7995 0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0725 -3.9832 -3.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1233 -5.6418 -3.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3213 -4.8699 0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7611 -3.5432 -1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9787 0.1621 -1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0306 -0.7988 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2566 -5.9808 -0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3188 -6.3920 1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 -5.4435 1.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8474 -5.7753 -1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3304 -6.0450 -3.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4946 -4.3867 -2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5031 5.9054 -1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1962 6.7529 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0377 5.0200 -2.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8312 10.3980 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7401 8.8556 1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 9.8760 1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4939 10.5870 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 9.1407 0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 8.9868 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1808 -1.2572 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6035 -2.9820 1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2798 -2.0397 3.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 9 2 0 0 0 0 2 24 1 0 0 0 0 3 7 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 18 2 0 0 0 0 5 11 1 0 0 0 0 5 10 1 0 0 0 0 5 20 2 0 0 0 0 6 13 2 0 0 0 0 6 8 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 48 1 0 0 0 0 11 28 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 18 1 0 0 0 0 13 23 1 0 0 0 0 14 21 2 0 0 0 0 14 33 1 0 0 0 0 15 23 1 0 0 0 0 15 22 1 0 0 0 0 15 29 2 0 0 0 0 16 20 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 21 36 1 0 0 0 0 21 25 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 24 32 2 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 54 1 0 0 0 0 27 35 1 0 0 0 0 27 42 1 0 0 0 0 27 34 1 0 0 0 0 30 34 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 35 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 33 43 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 44 1 0 0 0 0 37 41 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 38 46 1 0 0 0 0 39 45 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 42 68 1 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 43 71 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 44 74 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 45 77 1 0 0 0 0 45 78 1 0 0 0 0 45 79 1 0 0 0 0 46 80 1 0 0 0 0 46 81 1 0 0 0 0 46 82 1 0 0 0 0 M END $$$$