D0OH3J Wcorina 10100417263D 1 1.00000 0.00000 CORINA evaluation license 3.40 0067 02.08.2006 61 64 0 0 0 0 0 0 0999 V2000 12.2253 0.7827 0.1774 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.2936 3.5139 4.7734 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1727 1.1000 0.1883 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6676 4.4904 1.0708 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6663 1.2550 0.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4814 4.3543 0.7066 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9045 -0.5243 -1.0036 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1673 4.1434 0.3606 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8743 4.0016 -0.0216 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 2.3331 1.1886 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3011 3.6739 0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6322 2.6137 1.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2711 2.4567 1.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -0.9464 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6282 3.8740 1.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4589 1.9281 2.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2812 -0.3203 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8854 -1.3201 -2.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8941 2.0861 2.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4956 5.6130 -0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0434 1.7930 1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0323 3.4806 0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6506 0.5962 -0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6836 3.2668 0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 1.8137 0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9969 -2.3702 -2.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6997 1.2317 1.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2851 2.4459 3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4693 3.9220 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7158 1.8828 -0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2954 3.1965 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 1.1589 -0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4652 1.0304 -2.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8752 0.7438 2.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4629 1.9509 4.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2541 1.0999 3.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 -0.6201 1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0233 -2.0327 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4414 0.9973 2.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7395 -0.5743 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8988 -0.7037 0.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0446 -0.6669 -3.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9202 -1.8174 -2.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3193 6.4444 0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4652 5.7380 -0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7128 5.5932 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9810 0.8600 2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8377 -3.0234 -1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9621 -1.8729 -2.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9827 -2.9623 -3.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 4.8766 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 4.9986 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6594 1.3729 -0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3513 3.7056 0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5664 0.0822 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9978 1.9506 -1.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8037 1.2042 -2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1834 0.2504 -2.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4996 0.0825 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7667 2.2287 5.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1741 0.7153 4.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 28 1 0 0 0 0 3 17 1 0 0 0 0 3 25 1 0 0 0 0 4 15 2 0 0 0 0 5 23 2 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 8 11 2 0 0 0 0 8 22 1 0 0 0 0 9 22 1 0 0 0 0 9 24 1 0 0 0 0 9 51 1 0 0 0 0 10 21 1 0 0 0 0 10 22 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 12 19 1 0 0 0 0 13 16 1 0 0 0 0 13 21 2 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 26 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 27 2 0 0 0 0 19 28 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 23 33 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 34 1 0 0 0 0 28 35 2 0 0 0 0 29 31 1 0 0 0 0 29 52 1 0 0 0 0 30 32 2 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 36 2 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 35 60 1 0 0 0 0 36 61 1 0 0 0 0 M END $$$$